#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a22 s VAL 46 N 0.00 3.67 0.00 0.00 1.01 -1.26 -4.86 120.40 118.96 3a22 s VAL 46 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.67 3a22 s VAL 46 Cb 0.00 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.52 3a22 s VAL 46 CO 0.00 -0.52 0.00 0.35 0.00 0.00 0.00 175.10 174.93 3a22 n THR 47 N 7.16 0.00 -5.03 3.92 -2.24 -1.26 -4.98 114.28 111.85 3a22 n THR 47 Ca 0.20 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.68 3a22 n THR 47 Cb 0.47 0.15 -0.17 0.00 -2.10 0.00 0.00 70.33 68.68 3a22 n THR 47 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3a22 s THR 48 N -1.99 1.84 0.40 4.28 2.01 -1.26 -5.12 115.64 115.79 3a22 s THR 48 Ca 0.00 -0.89 -0.25 0.00 0.31 0.00 0.00 61.69 60.86 3a22 s THR 48 Cb 0.00 -1.60 -0.08 0.00 0.01 0.00 0.00 72.50 70.82 3a22 s THR 48 CO 0.00 0.51 1.15 0.00 -0.69 0.00 0.00 174.62 175.60 3a22 s ARG 49 N 0.46 4.07 -0.05 4.92 1.70 -1.26 -4.74 118.95 124.04 3a22 s ARG 49 Ca -0.17 1.80 -0.30 0.00 -0.47 0.00 0.00 55.73 56.59 3a22 s ARG 49 Cb -0.17 -2.66 -0.02 0.00 -0.57 0.00 0.00 34.95 31.52 3a22 s ARG 49 CO 0.07 -0.30 1.04 -0.65 -1.08 0.00 0.00 175.30 174.38 3a22 s GLN 50 N -2.31 4.46 -0.08 3.89 -0.21 -1.26 -0.87 119.66 123.27 3a22 s GLN 50 Ca 0.57 1.46 -0.24 0.00 0.02 0.00 0.00 55.36 57.18 3a22 s GLN 50 Cb -0.30 -3.51 -0.03 0.00 1.00 0.00 0.00 33.01 30.17 3a22 s GLN 50 CO 0.37 -0.25 0.71 0.42 -2.12 0.00 0.00 175.29 174.43 3a22 s ILE 51 N 1.66 5.03 0.19 1.08 -1.09 0.36 -4.86 121.20 123.56 3a22 s ILE 51 Ca 0.51 1.46 -0.30 0.00 -2.23 0.00 0.00 60.65 60.09 3a22 s ILE 51 Cb -0.21 -4.05 -0.09 0.00 -1.58 0.00 0.00 42.46 36.54 3a22 s ILE 51 CO 0.22 0.22 1.32 -0.89 -1.23 0.00 0.00 174.94 174.58 3a22 s THR 52 N 1.01 3.23 0.24 2.92 2.01 -1.26 -4.76 115.64 119.02 3a22 s THR 52 Ca 0.37 1.00 0.07 0.00 0.31 0.00 0.00 61.69 63.44 3a22 s THR 52 Cb -0.18 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 3a22 s THR 52 CO 0.17 0.14 0.17 0.68 -0.69 0.00 0.00 174.62 175.09 3a22 s VAL 53 N 0.23 4.38 0.43 3.82 -7.23 -0.35 -4.88 120.40 116.80 3a22 s VAL 53 Ca 0.57 -1.39 -0.26 0.00 -1.81 0.00 0.00 61.98 59.10 3a22 s VAL 53 Cb -0.36 -3.34 -0.09 0.00 0.56 0.00 0.00 36.38 33.14 3a22 s VAL 53 CO 0.37 -0.31 1.46 -2.84 -0.31 0.00 0.00 175.10 173.47 3a22 s PRO 54 N -3.70 3.81 0.66 4.82 0.02 -1.26 -4.83 135.00 134.52 3a22 s PRO 54 Ca 0.32 2.49 -0.09 0.00 0.02 0.00 0.00 61.00 63.75 3a22 s PRO 54 Cb -0.08 -2.75 0.02 0.00 0.02 0.00 0.00 34.50 31.70 3a22 s PRO 54 CO 0.24 -0.75 1.01 -1.12 -0.33 0.00 0.00 177.00 176.05 3a22 s SER 55 N -0.37 5.41 0.56 2.53 0.01 -1.26 -3.70 113.70 116.88 3a22 s SER 55 Ca 0.58 0.87 -0.19 0.00 1.31 0.00 0.00 55.95 58.52 3a22 s SER 55 Cb -0.45 -1.73 -0.05 0.00 0.21 0.00 0.00 66.02 64.00 3a22 s SER 55 CO 0.59 -1.27 1.16 0.00 0.41 0.00 0.00 173.24 174.14 3a22 s ALA 56 N -3.20 2.66 0.42 1.44 0.00 -1.26 -4.97 121.76 116.85 3a22 s ALA 56 Ca 0.57 0.90 -0.25 0.00 0.00 0.00 0.00 51.96 53.17 3a22 s ALA 56 Cb -0.11 -3.39 -0.10 0.00 0.00 0.00 0.00 23.12 19.52 3a22 s ALA 56 CO 0.48 -0.90 1.19 -2.30 0.00 0.00 0.00 175.76 174.23 3a22 n PRO 57 N -1.35 1.74 -4.86 0.00 -0.02 -1.26 -4.75 135.00 124.49 3a22 n PRO 57 Ca 0.12 0.62 -0.28 0.00 -2.02 0.00 0.00 63.50 61.94 3a22 n PRO 57 Cb 0.50 -2.27 -0.15 0.00 -0.02 0.00 0.00 33.50 31.56 3a22 n PRO 57 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3a22 s MET 58 N -2.15 1.67 0.00 -0.52 -1.94 -1.26 -1.06 119.30 114.05 3a22 s MET 58 Ca 0.62 -1.00 0.00 0.00 -1.71 0.00 0.00 55.69 53.60 3a22 s MET 58 Cb -0.53 -1.78 0.00 0.00 2.01 0.00 0.00 34.83 34.53 3a22 s MET 58 CO 0.57 0.46 0.00 0.41 -0.01 0.00 0.00 175.02 176.46 3a22 n GLY 59 N 1.95 -0.62 2.95 -0.03 0.00 0.27 -1.65 105.19 108.06 3a22 n GLY 59 Ca -0.17 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 3a22 n GLY 59 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3a22 s TRP 60 N -4.00 0.16 0.04 1.61 -0.00 0.07 -0.39 118.94 116.44 3a22 s TRP 60 Ca 0.00 -0.34 0.02 0.00 -0.00 0.00 0.00 56.10 55.78 3a22 s TRP 60 Cb 0.00 -0.12 -0.02 0.00 -0.00 0.00 0.00 33.47 33.32 3a22 s TRP 60 CO 0.00 -0.13 -0.07 0.00 -0.00 0.00 0.00 176.95 176.75 3a22 s ALA 61 N -0.97 0.49 -0.68 5.86 0.00 0.19 -0.58 121.76 126.07 3a22 s ALA 61 Ca -0.11 -0.75 0.25 0.00 0.00 0.00 0.00 51.96 51.36 3a22 s ALA 61 Cb -0.07 0.07 0.69 0.00 0.00 0.00 0.00 23.12 23.82 3a22 s ALA 61 CO -0.01 -0.06 1.71 0.66 0.00 0.00 0.00 175.76 178.06 3a22 h SER 62 N 4.47 0.00 0.57 0.00 4.64 -1.75 -3.40 113.55 118.08 3a22 h SER 62 Ca -0.35 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 60.93 3a22 h SER 62 Cb 1.20 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.30 3a22 h SER 62 CO 0.42 0.01 -0.27 -0.25 -0.87 0.00 0.00 176.83 175.86 3a22 h TRP 63 N 0.00 -0.70 -0.92 4.77 2.91 -1.86 -2.69 115.95 117.45 3a22 h TRP 63 Ca 0.00 -0.02 0.09 0.00 1.13 0.00 0.00 58.89 60.09 3a22 h TRP 63 Cb 0.78 0.23 -0.07 0.00 -0.51 0.00 0.00 29.16 29.60 3a22 h TRP 63 CO 0.00 -0.39 0.60 -0.91 -1.03 0.00 0.00 178.44 176.71 3a22 h ASN 64 N -0.91 0.88 0.22 2.65 2.35 -1.76 0.41 115.58 119.41 3a22 h ASN 64 Ca -0.08 0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.61 3a22 h ASN 64 Cb 0.64 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 3a22 h ASN 64 CO 0.13 0.53 -1.86 -1.20 -1.65 0.00 0.00 177.43 173.38 3a22 n SER 65 N -4.52 0.21 0.00 5.81 7.64 -1.14 -4.63 113.62 117.00 3a22 n SER 65 Ca 0.15 0.09 0.00 0.00 1.01 0.00 0.00 58.87 60.12 3a22 n SER 65 Cb 0.26 1.42 0.00 0.00 -1.01 0.00 0.00 64.21 64.89 3a22 n SER 65 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3a22 n PHE 66 N -2.46 0.00 -2.96 1.43 3.72 -1.01 -5.01 117.46 111.17 3a22 n PHE 66 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 3a22 n PHE 66 Cb 0.69 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.23 3a22 n PHE 66 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3a22 n ALA 67 N -1.22 0.00 1.96 4.37 0.00 0.12 -1.41 120.51 124.33 3a22 n ALA 67 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 3a22 n ALA 67 Cb 0.00 0.00 0.93 0.00 0.00 0.00 0.00 19.45 20.38 3a22 n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a22 n ALA 68 N 7.02 2.67 -1.48 0.00 0.00 -1.03 -4.49 120.51 123.20 3a22 n ALA 68 Ca 0.00 -0.20 -0.40 0.00 0.00 0.00 0.00 53.44 52.84 3a22 n ALA 68 Cb 0.00 -1.51 -0.02 0.00 0.00 0.00 0.00 19.45 17.92 3a22 n ALA 68 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3a22 n LYS 69 N -1.00 3.17 -4.28 0.00 5.02 -0.50 -4.55 118.16 116.01 3a22 n LYS 69 Ca 0.23 -2.35 -0.21 0.00 -2.02 0.00 0.00 58.31 53.96 3a22 n LYS 69 Cb 0.11 -3.02 -0.12 0.00 -0.02 0.00 0.00 35.03 31.98 3a22 n LYS 69 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3a22 s ILE 70 N 2.80 1.62 0.35 -0.18 -4.36 -1.26 -4.92 121.20 115.26 3a22 s ILE 70 Ca 0.58 -1.70 -0.17 0.00 -0.26 0.00 0.00 60.65 59.10 3a22 s ILE 70 Cb 0.16 -1.62 0.06 0.00 1.25 0.00 0.00 42.46 42.31 3a22 s ILE 70 CO -0.07 -0.24 0.83 1.51 0.24 0.00 0.00 174.94 177.22 3a22 s ASP 71 N -2.29 0.01 0.23 4.36 1.47 -1.26 -4.74 116.67 114.45 3a22 s ASP 71 Ca 0.10 -1.08 -0.07 0.00 1.18 0.00 0.00 52.55 52.67 3a22 s ASP 71 Cb -0.07 0.80 0.40 0.00 -0.34 0.00 0.00 42.92 43.70 3a22 s ASP 71 CO 0.05 -1.58 1.66 0.22 0.68 0.00 0.00 175.17 176.20 3a22 h TYR 72 N 2.00 0.08 -0.44 2.11 5.03 -1.50 -1.97 116.97 122.28 3a22 h TYR 72 Ca -0.32 0.05 -0.10 0.00 2.58 0.00 0.00 58.73 60.94 3a22 h TYR 72 Cb 1.24 0.07 -0.02 0.00 1.55 0.00 0.00 36.73 39.58 3a22 h TYR 72 CO 1.39 -0.16 -0.12 0.66 -1.32 0.00 0.00 178.16 178.61 3a22 h SER 73 N 0.17 0.80 -0.19 -2.11 4.64 -1.97 -0.42 113.55 114.47 3a22 h SER 73 Ca 0.38 -0.25 0.01 0.00 -0.47 0.00 0.00 61.79 61.47 3a22 h SER 73 Cb 0.65 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 3a22 h SER 73 CO -0.56 0.94 0.08 0.58 -0.87 0.00 0.00 176.83 177.00 3a22 h VAL 74 N 0.73 0.98 -0.31 0.95 2.07 -1.77 -2.09 116.25 116.80 3a22 h VAL 74 Ca 0.12 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 3a22 h VAL 74 Cb 0.62 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3a22 h VAL 74 CO 0.04 0.03 0.02 0.40 0.02 0.00 0.00 177.57 178.08 3a22 h ILE 75 N 0.18 1.25 -0.58 4.57 1.08 -1.03 -2.72 117.51 120.26 3a22 h ILE 75 Ca 0.08 -0.90 0.05 0.00 -0.39 0.00 0.00 64.86 63.70 3a22 h ILE 75 Cb 0.03 1.23 -0.05 0.00 -3.07 0.00 0.00 36.82 34.97 3a22 h ILE 75 CO -0.07 0.29 0.30 0.50 -0.69 0.00 0.00 178.15 178.48 3a22 h LYS 76 N 0.34 0.55 -0.55 2.37 3.64 -1.01 0.26 116.57 122.17 3a22 h LYS 76 Ca 0.09 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 3a22 h LYS 76 Cb 0.41 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 3a22 h LYS 76 CO 0.01 0.36 0.19 0.87 -2.27 0.00 0.00 179.45 178.61 3a22 h LYS 77 N 0.56 0.80 -0.34 1.90 1.57 -1.31 -1.37 116.57 118.40 3a22 h LYS 77 Ca 0.26 -0.13 -0.17 0.00 -1.87 0.00 0.00 60.65 58.74 3a22 h LYS 77 Cb 0.17 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 3a22 h LYS 77 CO -0.18 0.68 -0.45 1.96 -0.57 0.00 0.00 179.45 180.90 3a22 h GLN 78 N 0.79 0.88 -0.60 3.15 1.08 -1.01 -2.12 115.11 117.28 3a22 h GLN 78 Ca 0.18 -0.49 0.01 0.00 -1.45 0.00 0.00 58.65 56.90 3a22 h GLN 78 Cb 0.20 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.63 3a22 h GLN 78 CO -0.01 1.14 0.39 0.28 -0.95 0.00 0.00 178.83 179.67 3a22 h VAL 79 N 0.70 1.13 -0.57 -0.54 2.07 -0.60 -0.66 116.25 117.78 3a22 h VAL 79 Ca 0.04 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 3a22 h VAL 79 Cb 1.04 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3a22 h VAL 79 CO 0.10 0.14 0.09 0.44 0.02 0.00 0.00 177.57 178.37 3a22 h ASP 80 N 0.79 0.90 -0.50 0.57 3.32 -1.13 -1.05 116.42 119.32 3a22 h ASP 80 Ca 0.23 -0.26 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 3a22 h ASP 80 Cb -0.06 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 3a22 h ASP 80 CO -0.06 0.93 0.03 0.00 -1.72 0.00 0.00 179.24 178.42 3a22 h ALA 81 N 1.00 0.67 -0.10 3.45 0.00 -1.25 0.12 119.26 123.15 3a22 h ALA 81 Ca 0.17 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.86 3a22 h ALA 81 Cb 0.42 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 3a22 h ALA 81 CO 0.01 0.46 -0.32 0.35 0.00 0.00 0.00 179.25 179.74 3a22 h PHE 82 N 0.73 -0.90 -0.08 0.00 3.04 -0.98 0.37 116.94 119.13 3a22 h PHE 82 Ca 0.15 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.14 3a22 h PHE 82 Cb 0.48 0.41 -0.01 0.00 2.56 0.00 0.00 35.95 39.39 3a22 h PHE 82 CO 0.04 -0.40 0.04 0.28 -2.02 0.00 0.00 178.31 176.25 3a22 h VAL 83 N -0.41 1.01 -0.15 1.41 2.07 -1.12 -2.52 116.25 116.54 3a22 h VAL 83 Ca 0.09 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 3a22 h VAL 83 Cb 0.55 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3a22 h VAL 83 CO -0.34 0.02 -0.02 0.00 0.02 0.00 0.00 177.57 177.25 3a22 h ALA 84 N 1.03 1.70 0.00 1.67 0.00 -0.48 -1.16 119.26 122.02 3a22 h ALA 84 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3a22 h ALA 84 Cb -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3a22 h ALA 84 CO -0.01 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.47 3a22 n ALA 85 N -2.50 2.48 -1.35 0.00 0.00 0.10 -4.90 120.51 114.34 3a22 n ALA 85 Ca -0.01 -0.15 -0.06 0.00 0.00 0.00 0.00 53.44 53.22 3a22 n ALA 85 Cb 0.17 -1.48 -0.02 0.00 0.00 0.00 0.00 19.45 18.13 3a22 n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a22 n GLY 86 N 1.11 0.70 0.37 0.00 0.00 -0.44 -4.95 105.19 101.98 3a22 n GLY 86 Ca 0.16 -0.76 -0.02 0.00 0.00 0.00 0.00 46.02 45.39 3a22 n GLY 86 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a22 h LEU 87 N 0.00 1.15 -0.84 0.99 3.38 -1.66 -3.09 115.31 115.24 3a22 h LEU 87 Ca -0.12 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.83 3a22 h LEU 87 Cb 0.52 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 3a22 h LEU 87 CO 0.17 0.86 0.54 -0.65 0.09 0.00 0.00 178.44 179.45 3a22 h PRO 88 N 1.34 1.01 0.00 1.13 0.11 -1.76 -1.76 132.00 132.06 3a22 h PRO 88 Ca 0.35 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.37 3a22 h PRO 88 Cb -0.11 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 30.77 3a22 h PRO 88 CO -0.07 0.67 -0.17 0.00 -0.21 0.00 0.00 178.00 178.21 3a22 h ALA 89 N 1.35 1.51 0.00 -0.75 0.00 -1.83 -1.41 119.26 118.14 3a22 h ALA 89 Ca 0.34 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3a22 h ALA 89 Cb 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3a22 h ALA 89 CO -0.12 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.35 3a22 n ALA 90 N -2.42 1.88 0.00 0.00 0.00 -0.69 -4.91 120.51 114.38 3a22 n ALA 90 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3a22 n ALA 90 Cb 0.25 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.29 3a22 n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a22 n GLY 91 N 0.47 1.55 3.69 0.00 0.00 -0.53 -5.03 105.19 105.35 3a22 n GLY 91 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3a22 n GLY 91 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a22 s TYR 92 N -2.01 2.52 0.00 1.61 2.02 -1.05 -4.70 117.35 115.75 3a22 s TYR 92 Ca 0.00 0.38 0.00 0.00 -0.37 0.00 0.00 57.07 57.08 3a22 s TYR 92 Cb 0.00 -3.94 0.00 0.00 -0.40 0.00 0.00 41.96 37.62 3a22 s TYR 92 CO 0.00 -3.73 0.00 0.25 -1.57 0.00 0.00 175.55 170.50 3a22 n THR 93 N 4.63 0.00 -3.14 -0.71 -2.24 -0.66 -3.97 114.28 108.19 3a22 n THR 93 Ca 0.15 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.54 3a22 n THR 93 Cb 0.40 -0.49 -0.06 0.00 -2.10 0.00 0.00 70.33 68.09 3a22 n THR 93 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3a22 s TYR 94 N -1.69 3.77 -0.32 4.78 2.02 -0.80 -0.19 117.35 124.92 3a22 s TYR 94 Ca 0.00 1.36 -0.02 0.00 -0.37 0.00 0.00 57.07 58.04 3a22 s TYR 94 Cb 0.00 -2.64 0.07 0.00 -0.40 0.00 0.00 41.96 38.98 3a22 s TYR 94 CO 0.00 0.44 0.04 0.42 -1.57 0.00 0.00 175.55 174.88 3a22 s ILE 95 N -0.62 2.99 -0.24 2.71 -1.09 0.14 -0.75 121.20 124.34 3a22 s ILE 95 Ca 0.33 -1.58 -0.07 0.00 -2.23 0.00 0.00 60.65 57.09 3a22 s ILE 95 Cb -0.20 -2.82 -0.03 0.00 -1.58 0.00 0.00 42.46 37.83 3a22 s ILE 95 CO 0.21 -0.25 0.07 0.20 -1.23 0.00 0.00 174.94 173.93 3a22 s ASN 96 N 1.35 5.14 -0.31 3.58 0.01 0.25 -0.51 114.94 124.44 3a22 s ASN 96 Ca -0.02 -0.19 -0.20 0.00 -0.71 0.00 0.00 52.86 51.74 3a22 s ASN 96 Cb -0.20 -1.92 -0.01 0.00 0.41 0.00 0.00 41.25 39.53 3a22 s ASN 96 CO -0.02 -0.02 0.61 -0.63 -1.51 0.00 0.00 177.10 175.54 3a22 s ILE 97 N 1.51 4.95 0.00 0.60 1.01 0.20 -2.21 121.20 127.25 3a22 s ILE 97 Ca 0.06 0.80 0.00 0.00 0.00 0.00 0.00 60.65 61.51 3a22 s ILE 97 Cb -0.15 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.33 3a22 s ILE 97 CO 0.03 -0.14 0.00 -0.67 0.00 0.00 0.00 174.94 174.16 3a22 n ASP 98 N 5.86 0.00 -4.68 3.58 -0.08 -1.26 -3.39 116.55 116.58 3a22 n ASP 98 Ca -0.01 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.83 3a22 n ASP 98 Cb 0.49 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.93 3a22 n ASP 98 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 3a22 n GLU 99 N 0.00 2.00 0.00 -0.67 2.13 -1.26 -3.98 120.64 118.86 3a22 n GLU 99 Ca 0.00 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.52 3a22 n GLU 99 Cb 0.00 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 29.43 3a22 n GLU 99 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3a22 n GLY 100 N 1.26 1.54 0.18 8.31 0.00 -1.26 -4.10 105.19 111.12 3a22 n GLY 100 Ca 0.07 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.17 3a22 n GLY 100 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 3a22 h TRP 101 N 0.00 0.00 -3.34 1.61 5.08 -1.85 -3.44 115.95 114.02 3a22 h TRP 101 Ca 0.00 0.00 -0.47 0.00 1.08 0.00 0.00 58.89 59.50 3a22 h TRP 101 Cb 0.00 0.00 -0.35 0.00 -3.00 0.00 0.00 29.16 25.81 3a22 h TRP 101 CO 0.00 0.29 -0.79 -0.46 -1.28 0.00 0.00 178.44 176.20 3a22 s TRP 102 N -3.20 1.12 -1.62 0.12 -0.00 -1.26 -4.71 118.94 109.39 3a22 s TRP 102 Ca 0.04 -0.43 0.16 0.00 -0.00 0.00 0.00 56.10 55.86 3a22 s TRP 102 Cb 0.07 -0.95 0.52 0.00 -0.00 0.00 0.00 33.47 33.12 3a22 s TRP 102 CO 0.69 -0.33 1.42 1.04 -0.00 0.00 0.00 176.95 179.78 3a22 n GLN 103 N 4.42 2.70 -0.23 5.86 1.13 -1.26 -4.92 117.38 125.08 3a22 n GLN 103 Ca -0.18 -2.10 0.00 0.00 -1.94 0.00 0.00 57.00 52.78 3a22 n GLN 103 Cb 0.51 -1.59 0.00 0.00 0.11 0.00 0.00 30.24 29.26 3a22 n GLN 103 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3a22 n GLY 104 N 1.17 0.74 3.77 1.08 0.00 -1.26 -4.25 105.19 106.44 3a22 n GLY 104 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3a22 n GLY 104 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a22 s THR 105 N -2.24 3.69 0.03 2.61 -4.23 -1.26 -4.42 115.64 109.81 3a22 s THR 105 Ca 0.00 1.49 0.02 0.00 -1.18 0.00 0.00 61.69 62.02 3a22 s THR 105 Cb 0.00 -3.87 -0.02 0.00 1.34 0.00 0.00 72.50 69.95 3a22 s THR 105 CO 0.00 0.20 -0.06 -0.13 -0.54 0.00 0.00 174.62 174.09 3a22 s ARG 106 N -1.92 0.47 1.03 3.99 0.52 -1.26 -1.83 118.95 119.95 3a22 s ARG 106 Ca 0.50 -0.68 -0.18 0.00 -0.52 0.00 0.00 55.73 54.86 3a22 s ARG 106 Cb -0.26 -0.21 0.24 0.00 0.52 0.00 0.00 34.95 35.24 3a22 s ARG 106 CO 0.33 0.03 1.32 -0.40 0.02 0.00 0.00 175.30 176.61 3a22 n ASP 107 N 1.61 -0.22 0.30 0.23 5.68 0.10 -4.87 116.55 119.38 3a22 n ASP 107 Ca -0.22 -1.44 0.19 0.00 -0.50 0.00 0.00 54.79 52.82 3a22 n ASP 107 Cb 0.55 -1.04 0.92 0.00 -1.14 0.00 0.00 41.12 40.41 3a22 n ASP 107 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3a22 h SER 108 N -1.93 0.00 -0.48 -1.12 4.64 -2.02 0.22 113.55 112.86 3a22 h SER 108 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3a22 h SER 108 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3a22 h SER 108 CO 0.30 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 176.28 3a22 n ALA 109 N -2.10 2.43 -0.91 5.18 0.00 -1.26 -4.93 120.51 118.91 3a22 n ALA 109 Ca -0.01 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.52 3a22 n ALA 109 Cb 0.20 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3a22 n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a22 n GLY 110 N 1.35 0.65 3.74 0.00 0.00 0.07 -5.03 105.19 105.97 3a22 n GLY 110 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3a22 n GLY 110 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a22 s ASN 111 N -2.26 7.06 0.21 1.61 0.01 -1.26 -4.74 114.94 115.58 3a22 s ASN 111 Ca 0.00 2.28 -0.32 0.00 -0.71 0.00 0.00 52.86 54.11 3a22 s ASN 111 Cb 0.00 -2.61 -0.12 0.00 0.41 0.00 0.00 41.25 38.93 3a22 s ASN 111 CO 0.00 -0.38 1.72 -0.38 -1.51 0.00 0.00 177.10 176.55 3a22 n ILE 112 N 2.36 0.04 -4.87 0.60 5.41 -1.26 -0.72 119.36 120.91 3a22 n ILE 112 Ca 0.04 -0.01 -0.31 0.00 1.00 0.00 0.00 62.75 63.47 3a22 n ILE 112 Cb 0.44 -2.00 -0.14 0.00 -0.71 0.00 0.00 39.64 37.23 3a22 n ILE 112 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3a22 s THR 113 N 1.13 2.39 0.34 1.39 -4.23 -0.76 -4.85 115.64 111.05 3a22 s THR 113 Ca 0.75 -1.26 0.09 0.00 -1.18 0.00 0.00 61.69 60.09 3a22 s THR 113 Cb -0.50 -1.94 -0.05 0.00 1.34 0.00 0.00 72.50 71.34 3a22 s THR 113 CO 0.33 0.39 0.01 0.68 -0.54 0.00 0.00 174.62 175.50 3a22 s VAL 114 N -0.82 2.63 -0.55 2.29 -7.23 -1.26 -4.45 120.40 111.01 3a22 s VAL 114 Ca 0.12 -1.97 -0.25 0.00 -1.81 0.00 0.00 61.98 58.07 3a22 s VAL 114 Cb -0.10 -2.80 0.04 0.00 0.56 0.00 0.00 36.38 34.07 3a22 s VAL 114 CO 0.03 -0.20 1.01 -0.62 -0.31 0.00 0.00 175.10 175.01 3a22 s ASP 115 N -3.72 6.38 0.10 4.85 -1.08 -1.26 -4.91 116.67 117.03 3a22 s ASP 115 Ca 0.35 -0.21 0.18 0.00 -0.52 0.00 0.00 52.55 52.35 3a22 s ASP 115 Cb -0.00 -2.47 0.75 0.00 -1.46 0.00 0.00 42.92 39.74 3a22 s ASP 115 CO 0.19 -1.28 1.55 0.35 0.52 0.00 0.00 175.17 176.50 3a22 n THR 116 N 6.33 0.95 0.14 1.71 -2.24 -1.26 -1.09 114.28 118.83 3a22 n THR 116 Ca 0.04 0.25 0.04 0.00 -2.27 0.00 0.00 64.05 62.11 3a22 n THR 116 Cb 0.48 -1.07 0.46 0.00 -2.10 0.00 0.00 70.33 68.10 3a22 n THR 116 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a22 h ALA 117 N 2.40 1.67 0.00 6.98 0.00 -1.99 -1.62 119.26 126.71 3a22 h ALA 117 Ca 0.00 -0.13 -0.28 0.00 0.00 0.00 0.00 54.91 54.50 3a22 h ALA 117 Cb 0.29 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 3a22 h ALA 117 CO 0.00 0.25 -2.15 0.39 0.00 0.00 0.00 179.25 177.74 3a22 n GLU 118 N -4.37 0.67 -3.40 0.00 1.02 -0.29 -4.66 120.64 109.61 3a22 n GLU 118 Ca -0.01 0.02 -0.26 0.00 -0.02 0.00 0.00 57.16 56.89 3a22 n GLU 118 Cb 0.19 -1.58 -0.08 0.00 -0.02 0.00 0.00 31.44 29.95 3a22 n GLU 118 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 3a22 n TRP 119 N -2.73 2.53 -1.80 -0.32 7.02 -0.25 -1.08 117.44 120.82 3a22 n TRP 119 Ca -0.24 -4.00 -0.41 0.00 -1.02 0.00 0.00 57.50 51.82 3a22 n TRP 119 Cb 1.03 -0.49 -0.01 0.00 -2.42 0.00 0.00 31.31 29.41 3a22 n TRP 119 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 3a22 s PRO 120 N -2.03 4.13 0.00 -0.99 0.04 -0.62 -0.91 135.00 134.63 3a22 s PRO 120 Ca 0.38 2.55 0.00 0.00 0.04 0.00 0.00 61.00 63.97 3a22 s PRO 120 Cb 0.14 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.65 3a22 s PRO 120 CO -0.05 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 176.80 3a22 n GLY 121 N 1.93 1.01 3.11 0.56 0.00 -1.26 -4.73 105.19 105.80 3a22 n GLY 121 Ca 0.07 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.13 3a22 n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a22 n GLY 122 N -2.00 -1.95 0.23 -0.02 0.00 -0.09 -4.06 105.19 97.30 3a22 n GLY 122 Ca 0.00 -1.35 0.11 0.00 0.00 0.00 0.00 46.02 44.78 3a22 n GLY 122 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3a22 h MET 123 N 0.00 0.00 0.00 1.61 0.00 -1.89 -2.19 114.93 112.45 3a22 h MET 123 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.71 3a22 h MET 123 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 31.60 31.89 3a22 h MET 123 CO 0.00 0.19 0.00 0.66 0.00 0.00 0.00 176.91 177.77 3a22 h SER 124 N 0.00 0.00 -0.30 1.22 4.64 -1.77 -2.52 113.55 114.83 3a22 h SER 124 Ca -0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 3a22 h SER 124 Cb 0.71 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.80 3a22 h SER 124 CO 0.03 0.00 -0.47 0.00 -0.87 0.00 0.00 176.83 175.52 3a22 h ALA 125 N 2.13 0.46 -0.03 5.18 0.00 -1.53 -1.89 119.26 123.57 3a22 h ALA 125 Ca 0.00 -0.48 -0.20 0.00 0.00 0.00 0.00 54.91 54.22 3a22 h ALA 125 Cb 0.36 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3a22 h ALA 125 CO 0.00 0.61 -0.85 0.97 0.00 0.00 0.00 179.25 179.99 3a22 h ILE 126 N 0.62 1.41 -0.49 0.00 6.09 -1.60 -2.41 117.51 121.14 3a22 h ILE 126 Ca 0.03 -2.36 -0.08 0.00 -1.37 0.00 0.00 64.86 61.08 3a22 h ILE 126 Cb 1.07 2.31 -0.02 0.00 0.47 0.00 0.00 36.82 40.65 3a22 h ILE 126 CO 0.11 0.70 -0.00 0.71 -3.07 0.00 0.00 178.15 176.60 3a22 h THR 127 N 0.22 1.25 -0.75 2.19 1.35 -1.52 -2.03 112.91 113.62 3a22 h THR 127 Ca -0.05 -1.02 -0.03 0.00 -0.55 0.00 0.00 66.41 64.76 3a22 h THR 127 Cb 1.46 0.88 -0.03 0.00 -1.73 0.00 0.00 68.15 68.72 3a22 h THR 127 CO 0.14 0.36 0.37 0.00 -0.25 0.00 0.00 175.52 176.14 3a22 h ALA 128 N 1.23 0.97 -0.08 6.62 0.00 -1.27 -0.81 119.26 125.92 3a22 h ALA 128 Ca 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3a22 h ALA 128 Cb 0.47 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3a22 h ALA 128 CO 0.02 0.52 0.03 -0.92 0.00 0.00 0.00 179.25 178.90 3a22 h TYR 129 N 1.05 0.13 -0.26 0.00 3.20 -1.21 -0.19 116.97 119.69 3a22 h TYR 129 Ca 0.26 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.15 3a22 h TYR 129 Cb 0.10 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 3a22 h TYR 129 CO 0.01 0.27 0.04 0.82 -1.64 0.00 0.00 178.16 177.65 3a22 h ILE 130 N -0.05 0.86 -0.19 1.81 2.04 -1.34 -2.63 117.51 118.01 3a22 h ILE 130 Ca 0.03 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 3a22 h ILE 130 Cb 0.20 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3a22 h ILE 130 CO -0.00 0.02 -0.01 0.45 0.00 0.00 0.00 178.15 178.61 3a22 h HIS 131 N 0.13 0.28 0.00 1.37 3.86 -1.04 -1.78 115.15 117.97 3a22 h HIS 131 Ca 0.12 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 3a22 h HIS 131 Cb 0.13 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.52 3a22 h HIS 131 CO -0.17 0.30 0.00 0.66 0.86 0.00 0.00 177.93 179.58 3a22 h SER 132 N 0.27 0.00 -0.66 2.45 4.64 -0.64 -1.00 113.55 118.61 3a22 h SER 132 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3a22 h SER 132 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3a22 h SER 132 CO 0.01 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.26 3a22 n LYS 133 N -2.77 2.57 -1.08 4.77 4.76 -0.70 -4.92 118.16 120.79 3a22 n LYS 133 Ca -0.01 -2.44 -0.03 0.00 -2.87 0.00 0.00 58.31 52.96 3a22 n LYS 133 Cb 0.13 -1.53 -0.01 0.00 -1.84 0.00 0.00 35.03 31.78 3a22 n LYS 133 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3a22 n GLY 134 N 1.58 0.59 3.91 0.72 0.00 -0.38 -5.03 105.19 106.59 3a22 n GLY 134 Ca 0.23 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 3a22 n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a22 s LEU 135 N -0.62 3.27 0.11 0.99 1.43 -1.06 -5.02 118.68 117.79 3a22 s LEU 135 Ca 0.00 -0.81 0.05 0.00 -1.03 0.00 0.00 54.13 52.34 3a22 s LEU 135 Cb 0.00 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 3a22 s LEU 135 CO 0.00 -0.81 0.03 -0.54 0.23 0.00 0.00 176.35 175.26 3a22 s LYS 136 N -4.23 2.63 -0.06 1.70 1.02 0.73 -3.92 119.74 117.61 3a22 s LYS 136 Ca 0.48 -0.85 0.05 0.00 0.02 0.00 0.00 55.97 55.66 3a22 s LYS 136 Cb -0.04 -2.56 -0.02 0.00 -0.52 0.00 0.00 37.83 34.69 3a22 s LYS 136 CO 0.28 0.53 -0.19 0.00 -0.92 0.00 0.00 175.35 175.05 3a22 s ALA 137 N -1.44 2.44 0.12 5.17 0.00 -1.26 0.24 121.76 127.03 3a22 s ALA 137 Ca 0.27 -1.01 0.10 0.00 0.00 0.00 0.00 51.96 51.32 3a22 s ALA 137 Cb -0.11 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 22.12 3a22 s ALA 137 CO 0.20 0.48 -0.23 0.20 0.00 0.00 0.00 175.76 176.41 3a22 s GLY 138 N -0.44 1.62 0.44 0.00 0.00 0.33 -0.21 107.32 109.05 3a22 s GLY 138 Ca 0.05 -1.40 0.04 0.00 0.00 0.00 0.00 44.72 43.40 3a22 s GLY 138 CO 0.02 -1.37 0.12 -1.50 0.00 0.00 0.00 173.10 170.37 3a22 s ILE 139 N -1.08 0.60 -0.14 0.90 1.10 -0.36 -0.63 121.20 121.60 3a22 s ILE 139 Ca 0.15 -2.00 -0.08 0.00 -0.51 0.00 0.00 60.65 58.21 3a22 s ILE 139 Cb -0.10 -2.26 0.05 0.00 0.15 0.00 0.00 42.46 40.29 3a22 s ILE 139 CO 0.07 0.00 0.33 -0.47 -2.11 0.00 0.00 174.94 172.77 3a22 s TYR 140 N -3.14 -0.45 0.16 3.50 6.14 -1.22 -0.64 117.35 121.70 3a22 s TYR 140 Ca 0.19 1.01 -0.02 0.00 0.64 0.00 0.00 57.07 58.90 3a22 s TYR 140 Cb 0.01 0.15 0.01 0.00 0.42 0.00 0.00 41.96 42.56 3a22 s TYR 140 CO 0.13 -0.26 0.24 -2.37 0.64 0.00 0.00 175.55 173.93 3a22 n THR 141 N 3.89 0.00 -4.38 4.34 5.66 -0.59 -4.91 114.28 118.30 3a22 n THR 141 Ca -0.21 -0.71 -0.26 0.00 -3.05 0.00 0.00 64.05 59.81 3a22 n THR 141 Cb 0.55 0.47 -0.12 0.00 -1.55 0.00 0.00 70.33 69.68 3a22 n THR 141 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3a22 s ASP 142 N -1.95 3.15 0.40 1.09 2.15 -1.26 -0.56 116.67 119.70 3a22 s ASP 142 Ca 0.12 -0.81 0.18 0.00 0.43 0.00 0.00 52.55 52.47 3a22 s ASP 142 Cb -0.01 -0.21 0.85 0.00 -0.30 0.00 0.00 42.92 43.25 3a22 s ASP 142 CO 0.08 0.10 1.84 0.00 -0.17 0.00 0.00 175.17 177.02 3a22 h ALA 143 N 3.53 1.20 -3.63 3.66 0.00 -1.31 -0.50 119.26 122.21 3a22 h ALA 143 Ca -0.47 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.14 3a22 h ALA 143 Cb 1.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3a22 h ALA 143 CO 0.45 0.41 0.00 0.41 0.00 0.00 0.00 179.25 180.51 3a22 n GLY 144 N -0.22 1.15 0.20 0.00 0.00 -1.26 -3.65 105.19 101.40 3a22 n GLY 144 Ca -0.01 -2.00 0.08 0.00 0.00 0.00 0.00 46.02 44.09 3a22 n GLY 144 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a22 h LYS 145 N 0.00 0.00 -4.53 1.61 1.57 -1.85 -2.13 116.57 111.24 3a22 h LYS 145 Ca 0.00 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.52 3a22 h LYS 145 Cb 0.00 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 32.11 3a22 h LYS 145 CO 0.00 0.25 -0.73 -0.51 -0.57 0.00 0.00 179.45 177.90 3a22 s ASP 146 N -6.26 0.84 0.26 0.86 1.11 -1.26 -2.88 116.67 109.34 3a22 s ASP 146 Ca 0.03 -0.61 0.03 0.00 0.18 0.00 0.00 52.55 52.19 3a22 s ASP 146 Cb 0.08 0.05 0.03 0.00 1.07 0.00 0.00 42.92 44.15 3a22 s ASP 146 CO 0.68 -0.25 0.26 0.61 1.18 0.00 0.00 175.17 177.64 3a22 n GLY 147 N 1.27 2.56 0.25 0.21 0.00 -0.93 -2.94 105.19 105.60 3a22 n GLY 147 Ca -0.21 -2.21 0.09 0.00 0.00 0.00 0.00 46.02 43.69 3a22 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a22 h GLY 149 N 0.63 0.00 0.00 0.00 0.00 -1.89 0.25 103.07 102.05 3a22 h GLY 149 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.21 3a22 h GLY 149 CO 0.02 0.00 -0.97 2.98 0.00 0.00 0.00 176.54 178.57 3a22 n TYR 150 N -2.41 0.79 0.08 5.60 9.36 -0.01 -1.07 117.16 129.50 3a22 n TYR 150 Ca 0.01 0.34 -0.03 0.00 3.32 0.00 0.00 57.90 61.54 3a22 n TYR 150 Cb 0.17 -0.87 0.20 0.00 -0.63 0.00 0.00 39.34 38.21 3a22 n TYR 150 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 3a22 h TYR 151 N -1.00 0.34 -2.03 2.98 0.05 -1.16 -3.36 116.97 112.79 3a22 h TYR 151 Ca -0.17 -0.09 -0.55 0.00 0.05 0.00 0.00 58.73 57.96 3a22 h TYR 151 Cb 0.91 -0.07 -0.40 0.00 1.01 0.00 0.00 36.73 38.18 3a22 h TYR 151 CO -0.13 0.67 -1.05 0.66 -1.05 0.00 0.00 178.16 177.26 3a22 n TYR 152 N -4.02 0.33 -1.73 4.88 4.01 0.85 -5.08 117.16 116.40 3a22 n TYR 152 Ca -0.02 -3.69 -0.42 0.00 -0.16 0.00 0.00 57.90 53.62 3a22 n TYR 152 Cb 0.49 -0.39 -0.02 0.00 -0.31 0.00 0.00 39.34 39.11 3a22 n TYR 152 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3a22 n PRO 153 N 1.10 2.72 -3.35 -0.72 -0.02 -1.24 -4.62 135.00 128.87 3a22 n PRO 153 Ca 0.23 0.97 -0.23 0.00 -2.02 0.00 0.00 63.50 62.45 3a22 n PRO 153 Cb 0.53 -2.78 -0.09 0.00 -0.02 0.00 0.00 33.50 31.14 3a22 n PRO 153 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3a22 s THR 154 N 0.49 0.01 0.00 3.45 2.01 -1.26 -4.83 115.64 115.50 3a22 s THR 154 Ca 0.69 -1.85 0.00 0.00 0.31 0.00 0.00 61.69 60.84 3a22 s THR 154 Cb -0.51 -0.97 0.00 0.00 0.01 0.00 0.00 72.50 71.03 3a22 s THR 154 CO 0.42 -0.91 0.00 0.61 -0.69 0.00 0.00 174.62 174.04 3a22 n GLY 155 N 3.53 0.41 3.15 4.40 0.00 -1.26 -2.45 105.19 112.97 3a22 n GLY 155 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 3a22 n GLY 155 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a22 s ARG 156 N -0.76 0.68 0.82 1.61 0.52 -1.26 -4.68 118.95 115.88 3a22 s ARG 156 Ca 0.00 -0.79 -0.13 0.00 -0.52 0.00 0.00 55.73 54.29 3a22 s ARG 156 Cb 0.00 0.27 0.09 0.00 0.52 0.00 0.00 34.95 35.83 3a22 s ARG 156 CO 0.00 -0.19 1.20 -1.25 0.02 0.00 0.00 175.30 175.08 3a22 s PRO 157 N -2.97 1.55 0.46 3.54 0.04 -1.26 -4.75 135.00 131.61 3a22 s PRO 157 Ca -0.02 1.73 -0.22 0.00 0.04 0.00 0.00 61.00 62.53 3a22 s PRO 157 Cb 0.01 -1.77 -0.10 0.00 0.04 0.00 0.00 34.50 32.68 3a22 s PRO 157 CO -0.06 -2.27 0.85 0.00 0.04 0.00 0.00 177.00 175.56 3a22 n ALA 158 N -3.42 -0.33 -3.87 8.56 0.00 -1.26 -4.92 120.51 115.28 3a22 n ALA 158 Ca 0.13 0.16 -0.28 0.00 0.00 0.00 0.00 53.44 53.46 3a22 n ALA 158 Cb 0.51 -1.99 -0.12 0.00 0.00 0.00 0.00 19.45 17.85 3a22 n ALA 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a22 s ALA 159 N -1.39 3.69 0.44 0.00 0.00 -0.24 -4.91 121.76 119.36 3a22 s ALA 159 Ca 0.65 -3.77 -0.26 0.00 0.00 0.00 0.00 51.96 48.58 3a22 s ALA 159 Cb -0.54 -2.14 -0.09 0.00 0.00 0.00 0.00 23.12 20.36 3a22 s ALA 159 CO 0.55 -2.09 1.44 -0.35 0.00 0.00 0.00 175.76 175.31 3a22 n PRO 160 N 2.00 2.31 -0.25 0.00 -0.04 -1.26 -2.90 135.00 134.86 3a22 n PRO 160 Ca 0.21 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.49 3a22 n PRO 160 Cb 0.36 -2.64 0.00 0.00 -0.04 0.00 0.00 33.50 31.18 3a22 n PRO 160 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3a22 n GLY 161 N 0.56 0.72 1.79 0.55 0.00 -1.26 -4.26 105.19 103.30 3a22 n GLY 161 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 3a22 n GLY 161 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a22 n SER 162 N 0.00 5.41 -4.16 1.61 3.41 -1.14 -4.66 113.62 114.09 3a22 n SER 162 Ca 0.00 -2.51 -0.10 0.00 -0.26 0.00 0.00 58.87 56.00 3a22 n SER 162 Cb 0.00 -1.26 -0.10 0.00 -0.26 0.00 0.00 64.21 62.59 3a22 n SER 162 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3a22 s GLY 163 N 1.83 0.92 0.00 5.00 0.00 -1.14 -2.18 107.32 111.75 3a22 s GLY 163 Ca 0.35 -1.44 0.24 0.00 0.00 0.00 0.00 44.72 43.87 3a22 s GLY 163 CO -0.01 -1.39 1.36 1.44 0.00 0.00 0.00 173.10 174.50 3a22 n SER 164 N -0.08 2.87 -4.73 1.64 7.64 -0.20 -4.71 113.62 116.06 3a22 n SER 164 Ca -0.08 -1.93 -0.42 0.00 1.01 0.00 0.00 58.87 57.45 3a22 n SER 164 Cb 0.63 -0.06 -0.02 0.00 -1.01 0.00 0.00 64.21 63.75 3a22 n SER 164 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 3a22 n GLU 165 N 1.20 2.51 -0.18 1.43 2.13 -0.86 -0.22 120.64 126.66 3a22 n GLU 165 Ca 0.16 0.89 0.00 0.00 0.66 0.00 0.00 57.16 58.87 3a22 n GLU 165 Cb 0.56 -2.63 0.00 0.00 0.27 0.00 0.00 31.44 29.64 3a22 n GLU 165 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3a22 n GLY 166 N 2.04 2.00 1.42 8.31 0.00 -1.26 -4.77 105.19 112.92 3a22 n GLY 166 Ca 0.09 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.15 3a22 n GLY 166 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3a22 n HIS 167 N -2.00 0.00 0.02 1.61 8.25 0.70 -4.95 115.22 118.84 3a22 n HIS 167 Ca 0.00 -0.55 -0.11 0.00 -0.26 0.00 0.00 57.72 56.79 3a22 n HIS 167 Cb 0.00 -0.15 -0.06 0.00 1.12 0.00 0.00 29.99 30.90 3a22 n HIS 167 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 3a22 h TYR 168 N 0.98 0.03 -0.22 4.41 0.05 -1.80 0.25 116.97 120.66 3a22 h TYR 168 Ca -0.21 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.51 3a22 h TYR 168 Cb 1.83 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.56 3a22 h TYR 168 CO 0.22 0.01 -0.13 -0.44 -1.05 0.00 0.00 178.16 176.77 3a22 h ASP 169 N 0.04 0.50 -0.20 3.88 3.32 -1.90 -1.18 116.42 120.88 3a22 h ASP 169 Ca 0.02 -0.42 0.04 0.00 0.02 0.00 0.00 57.03 56.69 3a22 h ASP 169 Cb 0.02 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 3a22 h ASP 169 CO -0.03 0.81 -0.03 -0.61 -1.72 0.00 0.00 179.24 177.66 3a22 h GLN 170 N 0.18 0.02 -0.49 3.56 4.15 -1.89 -0.65 115.11 120.00 3a22 h GLN 170 Ca 0.05 -0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.34 3a22 h GLN 170 Cb 0.63 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 3a22 h GLN 170 CO 0.04 0.01 -0.20 -0.44 -1.93 0.00 0.00 178.83 176.31 3a22 h ASP 171 N 0.02 1.01 -0.45 -0.69 3.32 -0.51 -0.96 116.42 118.16 3a22 h ASP 171 Ca 0.09 -0.37 -0.07 0.00 0.02 0.00 0.00 57.03 56.69 3a22 h ASP 171 Cb 0.13 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3a22 h ASP 171 CO -0.19 1.17 -0.01 0.24 -1.72 0.00 0.00 179.24 178.74 3a22 h MET 172 N 0.86 0.81 -0.83 3.56 2.86 -1.10 -0.70 114.93 120.38 3a22 h MET 172 Ca 0.11 -0.26 0.02 0.00 -2.06 0.00 0.00 59.70 57.51 3a22 h MET 172 Cb 0.77 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.32 3a22 h MET 172 CO 0.06 0.87 0.54 1.25 1.06 0.00 0.00 176.91 180.70 3a22 h LEU 173 N 0.65 0.93 -0.37 1.22 5.85 -1.06 -1.60 115.31 120.93 3a22 h LEU 173 Ca 0.13 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3a22 h LEU 173 Cb 0.51 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3a22 h LEU 173 CO 0.02 0.66 0.23 -0.61 -0.34 0.00 0.00 178.44 178.41 3a22 h GLN 174 N 1.10 0.50 -0.45 1.25 5.75 -0.77 0.20 115.11 122.69 3a22 h GLN 174 Ca 0.31 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.76 3a22 h GLN 174 Cb -0.09 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.33 3a22 h GLN 174 CO -0.08 0.37 0.24 0.74 -2.65 0.00 0.00 178.83 177.45 3a22 h PHE 175 N 0.49 0.63 -0.63 3.99 0.04 -0.92 -0.21 116.94 120.34 3a22 h PHE 175 Ca 0.13 -0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.82 3a22 h PHE 175 Cb -0.01 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 37.92 3a22 h PHE 175 CO -0.04 0.49 0.14 1.03 -0.60 0.00 0.00 178.31 179.33 3a22 h SER 176 N 0.60 0.96 -0.41 2.17 0.87 -1.09 -1.61 113.55 115.04 3a22 h SER 176 Ca 0.16 -0.24 -0.10 0.00 -1.23 0.00 0.00 61.79 60.37 3a22 h SER 176 Cb 0.07 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 3a22 h SER 176 CO -0.02 0.95 -0.13 0.71 -0.53 0.00 0.00 176.83 177.81 3a22 h THR 177 N 0.93 1.26 0.00 2.23 1.35 -0.63 -1.88 112.91 116.17 3a22 h THR 177 Ca 0.20 -1.24 -0.01 0.00 -0.55 0.00 0.00 66.41 64.81 3a22 h THR 177 Cb 0.37 1.04 -0.00 0.00 -1.73 0.00 0.00 68.15 67.83 3a22 h THR 177 CO 0.00 0.43 -0.04 -0.50 -0.25 0.00 0.00 175.52 175.16 3a22 h TRP 178 N 0.78 0.00 0.00 4.73 6.55 -0.84 -3.47 115.95 123.71 3a22 h TRP 178 Ca 0.12 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.96 3a22 h TRP 178 Cb 0.65 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.95 3a22 h TRP 178 CO 0.04 0.04 0.00 0.41 -1.05 0.00 0.00 178.44 177.88 3a22 n GLY 179 N -0.93 1.15 3.76 1.49 0.00 -0.71 -4.31 105.19 105.64 3a22 n GLY 179 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 3a22 n GLY 179 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3a22 s PHE 180 N -2.00 3.37 -1.20 1.61 0.08 -0.64 -4.67 117.98 114.53 3a22 s PHE 180 Ca 0.00 1.62 0.13 0.00 0.12 0.00 0.00 56.93 58.80 3a22 s PHE 180 Cb 0.00 -3.36 -0.01 0.00 -0.57 0.00 0.00 43.02 39.09 3a22 s PHE 180 CO 0.00 -0.92 0.75 -0.25 -0.10 0.00 0.00 175.22 174.70 3a22 n ASP 181 N 0.81 1.42 -3.71 1.36 8.00 0.70 -4.48 116.55 120.64 3a22 n ASP 181 Ca 0.01 -1.21 -0.14 0.00 0.71 0.00 0.00 54.79 54.16 3a22 n ASP 181 Cb 0.45 0.48 -0.09 0.00 -0.02 0.00 0.00 41.12 41.94 3a22 n ASP 181 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3a22 s PHE 182 N -1.65 -0.44 -0.03 1.24 2.19 -1.00 -1.05 117.98 117.23 3a22 s PHE 182 Ca 0.11 1.01 -0.01 0.00 0.33 0.00 0.00 56.93 58.37 3a22 s PHE 182 Cb 0.11 0.17 0.03 0.00 -1.31 0.00 0.00 43.02 42.02 3a22 s PHE 182 CO 0.34 -0.29 0.06 0.54 1.83 0.00 0.00 175.22 177.70 3a22 s VAL 183 N -0.16 -0.07 -0.25 3.12 0.11 0.12 -1.22 120.40 122.04 3a22 s VAL 183 Ca -0.03 0.23 -0.11 0.00 -2.93 0.00 0.00 61.98 59.13 3a22 s VAL 183 Cb -0.03 -0.13 -0.05 0.00 -1.53 0.00 0.00 36.38 34.64 3a22 s VAL 183 CO 0.02 0.09 0.20 -0.75 -3.33 0.00 0.00 175.10 171.33 3a22 s LYS 184 N 1.22 4.04 -0.33 1.54 2.20 0.18 -0.90 119.74 127.69 3a22 s LYS 184 Ca -0.08 -0.23 -0.01 0.00 -0.36 0.00 0.00 55.97 55.29 3a22 s LYS 184 Cb -0.13 -3.58 0.07 0.00 -1.51 0.00 0.00 37.83 32.69 3a22 s LYS 184 CO -0.04 -0.03 0.05 0.08 -0.36 0.00 0.00 175.35 175.05 3a22 s VAL 185 N 1.32 2.94 0.82 4.02 1.01 0.32 -1.54 120.40 129.30 3a22 s VAL 185 Ca 0.09 -1.65 -0.11 0.00 0.00 0.00 0.00 61.98 60.30 3a22 s VAL 185 Cb -0.14 -2.82 0.18 0.00 0.00 0.00 0.00 36.38 33.60 3a22 s VAL 185 CO 0.07 -0.29 1.12 -0.67 0.00 0.00 0.00 175.10 175.33 3a22 n ASP 186 N 4.57 0.40 0.00 3.32 -0.08 0.28 -1.62 116.55 123.41 3a22 n ASP 186 Ca -0.09 -1.60 0.00 0.00 -1.51 0.00 0.00 54.79 51.59 3a22 n ASP 186 Cb 0.43 -0.83 0.00 0.00 2.34 0.00 0.00 41.12 43.06 3a22 n ASP 186 CO 0.00 0.00 0.00 1.87 0.12 0.00 0.00 177.20 179.19 3a22 n TRP 187 N -3.41 0.00 -0.25 -0.67 -0.00 -1.07 -0.90 117.44 111.14 3a22 n TRP 187 Ca 0.15 -0.19 -0.03 0.00 -0.00 0.00 0.00 57.50 57.43 3a22 n TRP 187 Cb 0.53 -0.02 0.09 0.00 -0.00 0.00 0.00 31.31 31.90 3a22 n TRP 187 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3a22 h GLY 189 N 0.81 0.15 0.86 0.00 0.00 -1.83 -1.51 103.07 101.55 3a22 h GLY 189 Ca 0.29 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 3a22 h GLY 189 CO -0.13 0.16 0.05 -1.33 0.00 0.00 0.00 176.54 175.29 3a22 h GLY 190 N 1.58 0.40 0.92 4.60 0.00 -1.50 -1.09 103.07 107.98 3a22 h GLY 190 Ca -0.00 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 3a22 h GLY 190 CO 0.08 0.24 0.05 -1.80 0.00 0.00 0.00 176.54 175.12 3a22 h ASP 191 N 0.19 0.59 -0.62 0.19 3.58 -0.21 -1.64 116.42 118.50 3a22 h ASP 191 Ca 0.07 -0.27 -0.03 0.00 0.42 0.00 0.00 57.03 57.22 3a22 h ASP 191 Cb 0.30 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.16 3a22 h ASP 191 CO 0.00 0.71 0.25 0.00 -2.88 0.00 0.00 179.24 177.32 3a22 h ALA 192 N 0.90 0.80 0.00 -0.78 0.00 -1.25 -3.21 119.26 115.72 3a22 h ALA 192 Ca 0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3a22 h ALA 192 Cb 0.38 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3a22 h ALA 192 CO 0.01 0.41 -0.38 0.93 0.00 0.00 0.00 179.25 180.23 3a22 h GLU 193 N 0.86 0.00 0.00 0.00 5.08 -1.13 -3.48 114.58 115.91 3a22 h GLU 193 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3a22 h GLU 193 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3a22 h GLU 193 CO -0.02 0.10 0.00 0.41 -1.00 0.00 0.00 179.01 178.51 3a22 n GLY 194 N 1.16 0.98 3.76 -3.84 0.00 -0.78 -5.07 105.19 101.39 3a22 n GLY 194 Ca 0.02 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 3a22 n GLY 194 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a22 s LEU 195 N 0.00 3.64 -0.16 0.99 1.43 -0.69 -5.00 118.68 118.90 3a22 s LEU 195 Ca 0.00 2.33 -0.27 0.00 -1.03 0.00 0.00 54.13 55.16 3a22 s LEU 195 Cb 0.00 -4.59 -0.01 0.00 0.03 0.00 0.00 46.19 41.62 3a22 s LEU 195 CO 0.00 -1.57 0.91 -0.62 0.23 0.00 0.00 176.35 175.30 3a22 s ASP 196 N -1.71 7.06 0.06 2.29 2.15 -1.26 -4.87 116.67 120.39 3a22 s ASP 196 Ca 0.76 1.31 -0.20 0.00 0.43 0.00 0.00 52.55 54.85 3a22 s ASP 196 Cb -0.29 -2.50 -0.12 0.00 -0.30 0.00 0.00 42.92 39.72 3a22 s ASP 196 CO 0.33 -0.45 1.44 0.00 -0.17 0.00 0.00 175.17 176.31 3a22 h ALA 197 N 7.28 0.26 0.01 3.66 0.00 -1.94 -2.30 119.26 126.23 3a22 h ALA 197 Ca -0.28 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.39 3a22 h ALA 197 Cb 1.13 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3a22 h ALA 197 CO 0.86 0.05 -0.14 0.00 0.00 0.00 0.00 179.25 180.02 3a22 h ALA 198 N 0.71 -0.17 -0.15 0.00 0.00 -1.93 -1.12 119.26 116.60 3a22 h ALA 198 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 3a22 h ALA 198 Cb 0.52 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3a22 h ALA 198 CO 0.02 -0.64 -0.56 1.79 0.00 0.00 0.00 179.25 179.87 3a22 h THR 199 N -0.24 1.34 -0.10 0.00 1.35 -2.00 -2.69 112.91 110.56 3a22 h THR 199 Ca 0.05 -1.83 -0.01 0.00 -0.55 0.00 0.00 66.41 64.06 3a22 h THR 199 Cb 0.30 1.83 -0.00 0.00 -1.73 0.00 0.00 68.15 68.55 3a22 h THR 199 CO -0.13 0.56 0.01 0.74 -0.25 0.00 0.00 175.52 176.45 3a22 h THR 200 N 0.34 1.22 0.00 6.82 2.02 -1.25 -2.50 112.91 119.56 3a22 h THR 200 Ca 0.00 -0.70 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 3a22 h THR 200 Cb 1.08 1.49 -0.00 0.00 -1.74 0.00 0.00 68.15 68.97 3a22 h THR 200 CO 0.10 0.20 -0.10 1.88 0.37 0.00 0.00 175.52 177.97 3a22 h TYR 201 N -0.06 0.00 -0.05 3.16 0.05 -1.26 -1.68 116.97 117.12 3a22 h TYR 201 Ca 0.03 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 3a22 h TYR 201 Cb 0.30 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.04 3a22 h TYR 201 CO 0.02 0.10 -0.00 -0.22 -1.05 0.00 0.00 178.16 177.01 3a22 h LYS 202 N 0.00 0.10 -0.67 4.88 1.63 -1.28 0.29 116.57 121.52 3a22 h LYS 202 Ca -0.00 -0.03 0.08 0.00 -0.85 0.00 0.00 60.65 59.85 3a22 h LYS 202 Cb 0.61 -0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 32.16 3a22 h LYS 202 CO 0.01 0.38 0.32 1.03 -3.45 0.00 0.00 179.45 177.74 3a22 h SER 203 N -0.20 0.42 -0.29 4.20 0.87 -1.17 0.15 113.55 117.53 3a22 h SER 203 Ca 0.02 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 3a22 h SER 203 Cb 0.34 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 3a22 h SER 203 CO 0.00 0.25 0.10 0.40 -0.53 0.00 0.00 176.83 177.05 3a22 h ILE 204 N 0.57 1.19 -0.76 2.23 2.04 -1.17 -1.92 117.51 119.70 3a22 h ILE 204 Ca 0.32 -0.61 0.08 0.00 1.00 0.00 0.00 64.86 65.64 3a22 h ILE 204 Cb 0.32 1.06 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 3a22 h ILE 204 CO -0.25 0.21 0.43 -1.28 0.00 0.00 0.00 178.15 177.25 3a22 h SER 205 N 0.31 0.63 -0.61 1.72 0.87 -0.04 0.18 113.55 116.61 3a22 h SER 205 Ca 0.09 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 3a22 h SER 205 Cb 0.23 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 3a22 h SER 205 CO -0.00 0.38 0.35 0.44 -0.53 0.00 0.00 176.83 177.47 3a22 h ASP 206 N 0.76 0.74 -0.45 6.23 3.32 -0.72 -0.92 116.42 125.38 3a22 h ASP 206 Ca 0.35 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.24 3a22 h ASP 206 Cb 0.27 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3a22 h ASP 206 CO -0.22 0.60 -0.05 0.00 -1.72 0.00 0.00 179.24 177.85 3a22 h ALA 207 N 1.17 0.96 -0.15 3.45 0.00 -0.72 -1.60 119.26 122.37 3a22 h ALA 207 Ca 0.22 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3a22 h ALA 207 Cb 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3a22 h ALA 207 CO -0.04 0.62 0.04 0.28 0.00 0.00 0.00 179.25 180.16 3a22 h VAL 208 N 0.81 0.95 -0.93 0.00 2.07 -0.66 -0.57 116.25 117.93 3a22 h VAL 208 Ca 0.14 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.63 3a22 h VAL 208 Cb 0.55 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 3a22 h VAL 208 CO 0.03 0.02 0.59 1.23 0.02 0.00 0.00 177.57 179.47 3a22 h GLY 209 N 0.11 1.32 0.95 2.17 0.00 -0.99 -1.74 103.07 104.89 3a22 h GLY 209 Ca 0.07 -0.51 -0.10 0.00 0.00 0.00 0.00 47.33 46.78 3a22 h GLY 209 CO -0.08 0.50 -0.20 3.21 0.00 0.00 0.00 176.54 179.97 3a22 h ARG 210 N 1.26 0.69 -0.03 4.80 3.08 -1.06 -1.78 114.38 121.34 3a22 h ARG 210 Ca 0.34 -0.32 0.02 0.00 0.07 0.00 0.00 59.98 60.08 3a22 h ARG 210 Cb -0.11 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 3a22 h ARG 210 CO -0.07 0.93 -0.07 0.00 -1.07 0.00 0.00 179.97 179.69 3a22 h ALA 211 N 0.75 -0.04 -0.60 0.04 0.00 -0.97 -0.87 119.26 117.56 3a22 h ALA 211 Ca 0.07 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3a22 h ALA 211 Cb 0.74 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 3a22 h ALA 211 CO 0.06 -0.55 0.22 0.00 0.00 0.00 0.00 179.25 178.97 3a22 h ALA 212 N 0.91 1.26 -0.46 0.00 0.00 -1.30 -2.07 119.26 117.61 3a22 h ALA 212 Ca 0.04 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 3a22 h ALA 212 Cb 0.16 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3a22 h ALA 212 CO -0.10 0.54 -0.05 0.00 0.00 0.00 0.00 179.25 179.63 3a22 h ALA 213 N 1.38 1.04 -0.19 0.00 0.00 -1.08 -0.37 119.26 120.04 3a22 h ALA 213 Ca 0.20 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3a22 h ALA 213 Cb 0.20 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3a22 h ALA 213 CO -0.02 0.59 -0.10 1.15 0.00 0.00 0.00 179.25 180.87 3a22 h THR 214 N 0.73 1.31 0.00 0.00 2.02 -0.69 -3.30 112.91 112.98 3a22 h THR 214 Ca 0.13 -1.18 -0.10 0.00 0.77 0.00 0.00 66.41 66.03 3a22 h THR 214 Cb 0.52 1.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.61 3a22 h THR 214 CO 0.03 0.35 -0.72 0.71 0.37 0.00 0.00 175.52 176.27 3a22 h THR 215 N 0.08 0.63 0.00 3.16 1.35 -1.40 -3.48 112.91 113.25 3a22 h THR 215 Ca 0.04 -1.95 0.00 0.00 -0.55 0.00 0.00 66.41 63.95 3a22 h THR 215 Cb 0.60 2.22 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 3a22 h THR 215 CO 0.03 0.36 0.00 0.61 -0.25 0.00 0.00 175.52 176.27 3a22 n GLY 216 N 1.25 0.92 3.44 5.82 0.00 -0.16 -5.04 105.19 111.43 3a22 n GLY 216 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3a22 n GLY 216 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3a22 s ARG 217 N -0.08 3.12 0.36 1.61 3.52 -1.17 -5.00 118.95 121.31 3a22 s ARG 217 Ca 0.00 -0.89 -0.27 0.00 -0.13 0.00 0.00 55.73 54.44 3a22 s ARG 217 Cb 0.00 -3.75 -0.12 0.00 -1.56 0.00 0.00 34.95 29.52 3a22 s ARG 217 CO 0.00 -0.58 1.18 -2.30 -0.81 0.00 0.00 175.30 172.79 3a22 n PRO 218 N 5.05 1.80 -3.98 5.12 -0.02 -1.26 -4.39 135.00 137.32 3a22 n PRO 218 Ca -0.12 0.63 -0.30 0.00 -2.02 0.00 0.00 63.50 61.69 3a22 n PRO 218 Cb 0.48 -2.19 -0.16 0.00 -0.02 0.00 0.00 33.50 31.61 3a22 n PRO 218 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3a22 s LEU 219 N -0.77 2.27 -0.29 2.45 2.96 -1.26 -4.55 118.68 119.50 3a22 s LEU 219 Ca 0.58 -0.92 -0.24 0.00 -0.22 0.00 0.00 54.13 53.33 3a22 s LEU 219 Cb -0.58 -1.19 0.00 0.00 0.50 0.00 0.00 46.19 44.92 3a22 s LEU 219 CO 0.60 -0.16 0.83 -0.89 -1.32 0.00 0.00 176.35 175.40 3a22 s THR 220 N 1.42 4.78 -0.19 3.68 2.01 -0.21 -4.92 115.64 122.20 3a22 s THR 220 Ca -0.02 1.36 -0.18 0.00 0.31 0.00 0.00 61.69 63.16 3a22 s THR 220 Cb -0.17 -4.16 -0.03 0.00 0.01 0.00 0.00 72.50 68.15 3a22 s THR 220 CO -0.08 -0.21 0.51 -0.22 -0.69 0.00 0.00 174.62 173.93 3a22 s LEU 221 N 2.98 4.16 -0.35 4.42 2.96 -1.26 -0.70 118.68 130.89 3a22 s LEU 221 Ca 0.34 0.67 -0.10 0.00 -0.22 0.00 0.00 54.13 54.82 3a22 s LEU 221 Cb -0.14 -2.69 0.01 0.00 0.50 0.00 0.00 46.19 43.87 3a22 s LEU 221 CO 0.11 -0.16 0.18 -0.55 -1.32 0.00 0.00 176.35 174.61 3a22 s SER 222 N 1.11 5.66 -0.08 3.68 0.15 -0.08 -3.55 113.70 120.59 3a22 s SER 222 Ca 0.24 -0.80 -0.29 0.00 0.70 0.00 0.00 55.95 55.79 3a22 s SER 222 Cb -0.15 -2.02 -0.02 0.00 -1.71 0.00 0.00 66.02 62.13 3a22 s SER 222 CO 0.10 -0.31 0.99 -0.63 1.20 0.00 0.00 173.24 174.59 3a22 s ILE 223 N 1.58 4.81 -0.56 6.45 1.01 -0.43 -0.52 121.20 133.53 3a22 s ILE 223 Ca 0.03 2.03 0.04 0.00 0.00 0.00 0.00 60.65 62.75 3a22 s ILE 223 Cb -0.18 -4.31 0.16 0.00 0.01 0.00 0.00 42.46 38.13 3a22 s ILE 223 CO 0.06 0.04 0.37 0.00 0.00 0.00 0.00 174.94 175.41 3a22 n ASN 225 N 2.68 1.23 -0.96 0.00 6.94 -1.26 -2.60 115.26 121.28 3a22 n ASN 225 Ca 0.17 -2.11 -0.12 0.00 -0.02 0.00 0.00 54.58 52.49 3a22 n ASN 225 Cb 0.37 -0.17 -0.05 0.00 -2.36 0.00 0.00 39.78 37.57 3a22 n ASN 225 CO 0.00 0.00 0.00 0.79 -1.03 0.00 0.00 177.26 177.02 3a22 n TRP 226 N -0.56 -0.04 -1.00 -2.53 8.01 -1.25 -1.48 117.44 118.59 3a22 n TRP 226 Ca 0.05 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.24 3a22 n TRP 226 Cb 0.52 -2.26 0.00 0.00 -2.01 0.00 0.00 31.31 27.56 3a22 n TRP 226 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3a22 n GLY 227 N -1.46 0.68 3.77 6.99 0.00 -0.99 -3.21 105.19 110.97 3a22 n GLY 227 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 3a22 n GLY 227 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a22 s TYR 228 N -2.74 3.25 -1.30 1.61 1.51 -0.55 -2.77 117.35 116.37 3a22 s TYR 228 Ca 0.00 1.60 -0.01 0.00 -1.01 0.00 0.00 57.07 57.65 3a22 s TYR 228 Cb 0.00 -3.35 0.00 0.00 -0.11 0.00 0.00 41.96 38.50 3a22 s TYR 228 CO 0.00 -1.04 0.07 1.04 -1.11 0.00 0.00 175.55 174.50 3a22 n GLN 229 N 0.49 -2.30 -3.39 -0.62 6.02 -1.26 -3.99 117.38 112.33 3a22 n GLN 229 Ca 0.02 0.72 -0.16 0.00 -0.01 0.00 0.00 57.00 57.57 3a22 n GLN 229 Cb 0.46 -5.36 0.03 0.00 1.02 0.00 0.00 30.24 26.39 3a22 n GLN 229 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3a22 n ASN 230 N -1.93 -6.41 0.29 1.08 3.02 -1.11 -4.86 115.26 105.33 3a22 n ASN 230 Ca -0.16 -0.63 0.16 0.00 -0.03 0.00 0.00 54.58 53.92 3a22 n ASN 230 Cb 0.63 -4.25 0.93 0.00 -0.61 0.00 0.00 39.78 36.48 3a22 n ASN 230 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3a22 h PRO 231 N -0.73 0.00 -0.23 3.52 0.13 -1.78 -1.56 132.00 131.36 3a22 h PRO 231 Ca -0.43 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.76 3a22 h PRO 231 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 3a22 h PRO 231 CO 0.40 0.00 0.25 0.11 -0.23 0.00 0.00 178.00 178.53 3a22 h TRP 232 N 0.00 0.00 0.00 1.56 0.09 -1.92 -0.27 115.95 115.41 3a22 h TRP 232 Ca 0.01 0.00 -0.07 0.00 0.09 0.00 0.00 58.89 58.92 3a22 h TRP 232 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.31 3a22 h TRP 232 CO 0.00 0.00 -0.34 -0.91 0.09 0.00 0.00 178.44 177.28 3a22 h ASN 233 N 0.00 0.00 0.00 0.11 2.35 -1.62 -3.41 115.58 113.01 3a22 h ASN 233 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3a22 h ASN 233 Cb 0.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.98 3a22 h ASN 233 CO -0.00 0.34 0.00 -2.67 -1.65 0.00 0.00 177.43 173.44 3a22 n TRP 234 N -3.40 0.00 0.09 1.19 4.27 -0.69 -4.84 117.44 114.06 3a22 n TRP 234 Ca 0.00 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.49 3a22 n TRP 234 Cb 0.53 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 30.36 3a22 n TRP 234 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3a22 h ALA 235 N 0.00 0.22 -2.58 -1.67 0.00 -1.30 -3.41 119.26 110.52 3a22 h ALA 235 Ca 0.00 -0.88 -0.55 0.00 0.00 0.00 0.00 54.91 53.48 3a22 h ALA 235 Cb 0.00 -0.06 0.07 0.00 0.00 0.00 0.00 17.79 17.81 3a22 h ALA 235 CO 0.00 1.06 0.86 0.00 0.00 0.00 0.00 179.25 181.17 3a22 n ALA 236 N -2.46 2.18 0.00 0.00 0.00 -1.26 -0.72 120.51 118.24 3a22 n ALA 236 Ca -0.05 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.79 3a22 n ALA 236 Cb 0.97 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 18.00 3a22 n ALA 236 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a22 n GLY 237 N 2.87 2.85 0.12 0.00 0.00 -1.26 -4.34 105.19 105.43 3a22 n GLY 237 Ca 0.13 -0.19 -0.19 0.00 0.00 0.00 0.00 46.02 45.77 3a22 n GLY 237 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3a22 h GLN 238 N 0.00 0.27 -2.97 1.61 4.20 -1.16 -3.49 115.11 113.56 3a22 h GLN 238 Ca 0.00 -0.46 -0.09 0.00 0.06 0.00 0.00 58.65 58.16 3a22 h GLN 238 Cb 0.00 0.17 -0.18 0.00 0.30 0.00 0.00 27.48 27.78 3a22 h GLN 238 CO 0.00 1.13 -0.14 0.00 -0.67 0.00 0.00 178.83 179.16 3a22 s ALA 239 N -2.59 -0.98 -0.37 3.87 0.00 -0.78 -4.73 121.76 116.17 3a22 s ALA 239 Ca -0.13 0.36 0.27 0.00 0.00 0.00 0.00 51.96 52.46 3a22 s ALA 239 Cb 0.06 0.25 0.95 0.00 0.00 0.00 0.00 23.12 24.39 3a22 s ALA 239 CO 0.83 -0.40 1.79 -1.00 0.00 0.00 0.00 175.76 176.98 3a22 h PRO 240 N 3.23 0.00 -2.94 0.00 0.13 -1.80 -3.41 132.00 127.20 3a22 h PRO 240 Ca -0.31 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.71 3a22 h PRO 240 Cb 1.19 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.11 3a22 h PRO 240 CO 0.43 0.00 -0.26 -0.48 -0.23 0.00 0.00 178.00 177.46 3a22 s LEU 241 N -5.23 0.73 -0.08 1.56 2.34 -1.24 -0.13 118.68 116.63 3a22 s LEU 241 Ca 0.05 0.27 -0.03 0.00 0.06 0.00 0.00 54.13 54.48 3a22 s LEU 241 Cb 0.09 1.32 0.04 0.00 -0.56 0.00 0.00 46.19 47.08 3a22 s LEU 241 CO 0.52 -0.38 0.17 -1.66 -1.06 0.00 0.00 176.35 173.95 3a22 s TRP 242 N -0.95 -0.21 0.24 3.48 -2.14 -1.05 -1.32 118.94 116.99 3a22 s TRP 242 Ca -0.10 0.57 -0.31 0.00 2.66 0.00 0.00 56.10 58.92 3a22 s TRP 242 Cb -0.04 -0.06 -0.11 0.00 -3.10 0.00 0.00 33.47 30.16 3a22 s TRP 242 CO 0.04 -0.19 1.61 1.03 -2.66 0.00 0.00 176.95 176.78 3a22 s ARG 243 N 1.24 4.15 0.00 3.25 1.81 0.10 -1.05 118.95 128.45 3a22 s ARG 243 Ca -0.09 2.52 0.21 0.00 -1.72 0.00 0.00 55.73 56.66 3a22 s ARG 243 Cb -0.11 -3.07 -0.12 0.00 -0.45 0.00 0.00 34.95 31.20 3a22 s ARG 243 CO -0.07 -0.64 0.98 0.25 -0.68 0.00 0.00 175.30 175.14 3a22 n THR 244 N 3.08 0.00 -3.84 0.02 -2.24 -0.91 -2.34 114.28 108.04 3a22 n THR 244 Ca 0.11 -0.14 -0.09 0.00 -2.27 0.00 0.00 64.05 61.67 3a22 n THR 244 Cb 0.37 1.13 0.01 0.00 -2.10 0.00 0.00 70.33 69.74 3a22 n THR 244 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3a22 s SER 245 N -2.70 0.03 1.15 3.42 1.04 -1.20 -3.87 113.70 111.58 3a22 s SER 245 Ca 0.13 -1.08 -0.19 0.00 0.48 0.00 0.00 55.95 55.29 3a22 s SER 245 Cb 0.17 0.81 0.27 0.00 0.10 0.00 0.00 66.02 67.37 3a22 s SER 245 CO 0.71 -1.59 1.18 0.42 0.98 0.00 0.00 173.24 174.93 3a22 s THR 246 N -2.67 1.69 0.31 2.02 -4.23 -1.20 -4.20 115.64 107.35 3a22 s THR 246 Ca 0.16 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.38 3a22 s THR 246 Cb -0.05 -2.64 -0.10 0.00 1.34 0.00 0.00 72.50 71.05 3a22 s THR 246 CO 0.11 0.00 1.36 -1.81 -0.54 0.00 0.00 174.62 173.75 3a22 s ASP 247 N -4.22 6.70 0.36 3.99 1.01 -1.26 -4.92 116.67 118.34 3a22 s ASP 247 Ca 0.72 2.71 0.07 0.00 0.71 0.00 0.00 52.55 56.76 3a22 s ASP 247 Cb -0.07 -2.64 0.70 0.00 1.01 0.00 0.00 42.92 41.92 3a22 s ASP 247 CO 0.55 -0.62 1.90 -0.29 0.21 0.00 0.00 175.17 176.93 3a22 h ILE 248 N 3.20 1.18 -3.36 0.77 2.10 -1.91 -3.43 117.51 116.06 3a22 h ILE 248 Ca -0.48 -0.76 -0.17 0.00 1.08 0.00 0.00 64.86 64.53 3a22 h ILE 248 Cb 1.22 1.06 -0.25 0.00 -1.09 0.00 0.00 36.82 37.77 3a22 h ILE 248 CO 0.69 0.25 -0.51 -0.51 -1.08 0.00 0.00 178.15 176.99 3a22 s ILE 249 N -4.86 0.02 -0.11 2.19 2.07 -1.26 -4.67 121.20 114.58 3a22 s ILE 249 Ca -0.07 -0.17 -0.03 0.00 -1.41 0.00 0.00 60.65 58.98 3a22 s ILE 249 Cb 0.15 -0.29 -0.03 0.00 0.13 0.00 0.00 42.46 42.42 3a22 s ILE 249 CO 0.75 -0.09 -0.01 -0.31 -1.91 0.00 0.00 174.94 173.36 3a22 s TYR 250 N -0.27 3.11 0.03 3.50 1.51 -1.26 -5.02 117.35 118.94 3a22 s TYR 250 Ca -0.04 0.03 -0.35 0.00 -1.01 0.00 0.00 57.07 55.71 3a22 s TYR 250 Cb -0.03 -1.86 -0.13 0.00 -0.11 0.00 0.00 41.96 39.83 3a22 s TYR 250 CO 0.01 0.29 1.69 0.98 -1.11 0.00 0.00 175.55 177.41 3a22 n TYR 251 N 2.67 2.23 0.00 2.71 9.36 -1.26 -0.77 117.16 132.10 3a22 n TYR 251 Ca -0.18 0.20 0.00 0.00 3.32 0.00 0.00 57.90 61.24 3a22 n TYR 251 Cb 0.53 -2.57 0.00 0.00 -0.63 0.00 0.00 39.34 36.67 3a22 n TYR 251 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3a22 n GLY 252 N 3.79 2.64 3.92 2.98 0.00 -1.26 -5.08 105.19 112.19 3a22 n GLY 252 Ca 0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 3a22 n GLY 252 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a22 s ASN 253 N -1.35 6.31 0.27 1.61 0.01 0.05 -5.10 114.94 116.75 3a22 s ASN 253 Ca 0.00 0.65 -0.20 0.00 -0.71 0.00 0.00 52.86 52.60 3a22 s ASN 253 Cb 0.00 -2.12 -0.09 0.00 0.41 0.00 0.00 41.25 39.45 3a22 s ASN 253 CO 0.00 -0.37 0.78 -1.10 -1.51 0.00 0.00 177.10 174.91 3a22 s GLN 254 N -4.31 4.27 0.21 -0.60 -1.52 -1.26 -4.87 119.66 111.58 3a22 s GLN 254 Ca 0.43 0.94 -0.32 0.00 -1.95 0.00 0.00 55.36 54.46 3a22 s GLN 254 Cb -0.10 -2.73 -0.14 0.00 -0.22 0.00 0.00 33.01 29.82 3a22 s GLN 254 CO 0.38 0.30 1.31 -2.30 -0.25 0.00 0.00 175.29 174.73 3a22 n PRO 255 N 0.40 1.69 -4.80 2.91 -0.02 -1.26 -4.99 135.00 128.93 3a22 n PRO 255 Ca 0.00 0.60 -0.28 0.00 -2.02 0.00 0.00 63.50 61.81 3a22 n PRO 255 Cb 0.51 -2.20 -0.17 0.00 -0.02 0.00 0.00 33.50 31.63 3a22 n PRO 255 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3a22 s SER 256 N 0.18 2.30 0.42 2.55 0.15 -1.26 -4.85 113.70 113.20 3a22 s SER 256 Ca 0.70 -0.40 0.12 0.00 0.70 0.00 0.00 55.95 57.07 3a22 s SER 256 Cb -0.73 -1.06 0.91 0.00 -1.71 0.00 0.00 66.02 63.43 3a22 s SER 256 CO 0.51 0.08 1.97 0.24 1.20 0.00 0.00 173.24 177.23 3a22 h MET 257 N 6.92 0.12 -0.11 5.44 2.86 -1.99 -1.53 114.93 126.64 3a22 h MET 257 Ca -0.27 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 3a22 h MET 257 Cb 1.21 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 3a22 h MET 257 CO 0.47 0.27 0.07 1.15 1.06 0.00 0.00 176.91 179.93 3a22 h THR 258 N 0.12 1.04 -0.31 2.22 2.02 -1.99 -0.08 112.91 115.93 3a22 h THR 258 Ca 0.02 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 3a22 h THR 258 Cb 0.32 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 3a22 h THR 258 CO 0.02 0.04 0.17 -1.28 0.37 0.00 0.00 175.52 174.84 3a22 h SER 259 N 0.13 0.38 -0.23 4.18 0.87 -1.83 -1.34 113.55 115.72 3a22 h SER 259 Ca 0.04 -0.08 0.06 0.00 -1.23 0.00 0.00 61.79 60.58 3a22 h SER 259 Cb 0.00 -0.10 -0.07 0.00 -0.44 0.00 0.00 62.40 61.80 3a22 h SER 259 CO -0.01 0.35 -0.25 0.25 -0.53 0.00 0.00 176.83 176.64 3a22 h LEU 260 N 0.38 -0.80 -1.14 2.23 6.46 -1.12 -1.07 115.31 120.25 3a22 h LEU 260 Ca 0.11 0.14 -0.02 0.00 -0.12 0.00 0.00 57.88 57.99 3a22 h LEU 260 Cb 0.05 0.37 -0.03 0.00 -0.73 0.00 0.00 40.66 40.32 3a22 h LEU 260 CO -0.02 -0.29 0.31 -0.07 -0.62 0.00 0.00 178.44 177.75 3a22 h LEU 261 N -0.27 0.82 -0.53 2.25 3.38 -0.84 -0.43 115.31 119.70 3a22 h LEU 261 Ca 0.13 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3a22 h LEU 261 Cb 0.47 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3a22 h LEU 261 CO -0.38 0.70 0.12 -1.28 0.09 0.00 0.00 178.44 177.69 3a22 h SER 262 N 0.91 0.81 -0.57 -0.43 0.87 -0.78 -0.38 113.55 113.99 3a22 h SER 262 Ca 0.22 -0.24 -0.02 0.00 -1.23 0.00 0.00 61.79 60.52 3a22 h SER 262 Cb 0.09 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 3a22 h SER 262 CO -0.03 0.84 0.27 0.78 -0.53 0.00 0.00 176.83 178.15 3a22 h ASN 263 N 0.74 0.76 -0.16 6.23 4.21 -0.85 -1.83 115.58 124.69 3a22 h ASN 263 Ca 0.17 -0.14 0.00 0.00 1.21 0.00 0.00 56.30 57.54 3a22 h ASN 263 Cb 0.35 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.35 3a22 h ASN 263 CO 0.00 0.69 0.10 0.15 -1.29 0.00 0.00 177.43 177.08 3a22 h PHE 264 N 0.78 0.20 -0.90 1.19 3.57 -0.91 -2.60 116.94 118.26 3a22 h PHE 264 Ca 0.20 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.73 3a22 h PHE 264 Cb 0.14 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.76 3a22 h PHE 264 CO 0.00 0.13 0.59 -0.44 -2.23 0.00 0.00 178.31 176.37 3a22 h ASP 265 N 0.21 0.98 0.93 0.41 3.32 -0.89 -2.39 116.42 118.99 3a22 h ASP 265 Ca 0.06 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3a22 h ASP 265 Cb -0.02 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.30 3a22 h ASP 265 CO -0.01 0.68 0.00 0.00 -1.72 0.00 0.00 179.24 178.19 3a22 n GLN 266 N -4.44 0.08 0.00 3.56 6.02 -0.70 -3.13 117.38 118.77 3a22 n GLN 266 Ca 0.12 0.16 0.11 0.00 -0.01 0.00 0.00 57.00 57.38 3a22 n GLN 266 Cb 0.09 -1.61 0.13 0.00 1.02 0.00 0.00 30.24 29.88 3a22 n GLN 266 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 3a22 n THR 267 N -1.74 0.00 -2.59 5.09 5.66 -0.90 -4.80 114.28 115.00 3a22 n THR 267 Ca 0.05 -0.02 -0.41 0.00 -3.05 0.00 0.00 64.05 60.62 3a22 n THR 267 Cb 0.30 0.53 -0.03 0.00 -1.55 0.00 0.00 70.33 69.58 3a22 n THR 267 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3a22 s LEU 268 N -2.95 3.47 -0.41 1.09 1.43 -1.18 -4.81 118.68 115.32 3a22 s LEU 268 Ca 0.11 -0.96 0.05 0.00 -1.03 0.00 0.00 54.13 52.30 3a22 s LEU 268 Cb 0.17 -2.55 0.19 0.00 0.03 0.00 0.00 46.19 44.03 3a22 s LEU 268 CO 0.74 -1.64 0.40 1.41 0.23 0.00 0.00 176.35 177.48 3a22 n HIS 269 N 8.94 -0.98 0.27 0.29 8.25 -1.26 -5.04 115.22 125.69 3a22 n HIS 269 Ca 0.15 -3.26 0.17 0.00 -0.26 0.00 0.00 57.72 54.53 3a22 n HIS 269 Cb 0.50 0.21 0.65 0.00 1.12 0.00 0.00 29.99 32.47 3a22 n HIS 269 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3a22 h PRO 270 N 5.27 0.00 0.00 -0.41 0.13 -1.91 -1.88 132.00 133.20 3a22 h PRO 270 Ca 0.22 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.34 3a22 h PRO 270 Cb 0.91 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 3a22 h PRO 270 CO 0.37 0.01 -0.05 1.79 -0.23 0.00 0.00 178.00 179.90 3a22 h THR 271 N 0.00 0.09 0.00 1.56 1.35 -1.97 -3.29 112.91 110.66 3a22 h THR 271 Ca -0.00 -1.03 -0.10 0.00 -0.55 0.00 0.00 66.41 64.74 3a22 h THR 271 Cb 0.55 1.95 -0.02 0.00 -1.73 0.00 0.00 68.15 68.90 3a22 h THR 271 CO 0.00 0.05 -0.82 0.00 -0.25 0.00 0.00 175.52 174.50 3a22 h ALA 272 N 1.95 0.68 -3.18 6.62 0.00 -1.61 -3.46 119.26 120.26 3a22 h ALA 272 Ca -0.00 -0.45 -0.62 0.00 0.00 0.00 0.00 54.91 53.83 3a22 h ALA 272 Cb 0.94 0.06 -0.17 0.00 0.00 0.00 0.00 17.79 18.62 3a22 h ALA 272 CO 0.01 0.54 -0.56 -1.14 0.00 0.00 0.00 179.25 178.10 3a22 s GLN 273 N -3.04 3.94 0.00 0.00 0.74 -1.19 -4.68 119.66 115.43 3a22 s GLN 273 Ca 0.01 -0.35 0.00 0.00 0.05 0.00 0.00 55.36 55.07 3a22 s GLN 273 Cb 0.08 -3.31 0.00 0.00 1.10 0.00 0.00 33.01 30.88 3a22 s GLN 273 CO 0.77 0.14 0.00 -2.39 -0.55 0.00 0.00 175.29 173.26 3a22 n HIS 274 N 3.95 0.00 -4.19 1.67 1.44 -0.84 -4.56 115.22 112.69 3a22 n HIS 274 Ca -0.16 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.24 3a22 n HIS 274 Cb 0.52 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.58 3a22 n HIS 274 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 3a22 n THR 275 N -0.04 -1.66 -0.24 0.61 -2.24 -1.26 -1.40 114.28 108.04 3a22 n THR 275 Ca 0.00 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3a22 n THR 275 Cb 0.00 -1.69 0.00 0.00 -2.10 0.00 0.00 70.33 66.54 3a22 n THR 275 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a22 n GLY 276 N -1.98 0.64 3.40 3.38 0.00 -1.24 -4.47 105.19 104.91 3a22 n GLY 276 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 3a22 n GLY 276 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a22 s TYR 277 N -2.49 2.98 -0.02 1.61 2.02 -0.50 -4.56 117.35 116.39 3a22 s TYR 277 Ca 0.00 -0.62 0.05 0.00 -0.37 0.00 0.00 57.07 56.13 3a22 s TYR 277 Cb 0.00 -2.04 -0.01 0.00 -0.40 0.00 0.00 41.96 39.51 3a22 s TYR 277 CO 0.00 -0.31 -0.16 0.71 -1.57 0.00 0.00 175.55 174.22 3a22 s TYR 278 N 0.99 1.51 0.30 2.71 1.51 0.82 -1.98 117.35 123.21 3a22 s TYR 278 Ca 0.01 -0.32 -0.29 0.00 -1.01 0.00 0.00 57.07 55.46 3a22 s TYR 278 Cb -0.15 -0.98 -0.10 0.00 -0.11 0.00 0.00 41.96 40.62 3a22 s TYR 278 CO 0.01 -0.05 1.37 -0.80 -1.11 0.00 0.00 175.55 174.97 3a22 s ASN 279 N -0.29 6.69 -0.33 2.29 0.01 -1.26 -2.54 114.94 119.51 3a22 s ASN 279 Ca 0.04 2.71 0.03 0.00 -0.71 0.00 0.00 52.86 54.93 3a22 s ASN 279 Cb -0.07 -2.64 0.09 0.00 0.41 0.00 0.00 41.25 39.04 3a22 s ASN 279 CO -0.00 -0.63 0.03 -0.62 -1.51 0.00 0.00 177.10 174.37 3a22 s ASP 280 N -0.12 4.75 0.00 -1.22 2.15 -0.22 -4.58 116.67 117.43 3a22 s ASP 280 Ca 0.53 -1.97 0.14 0.00 0.43 0.00 0.00 52.55 51.68 3a22 s ASP 280 Cb -0.41 -1.63 0.85 0.00 -0.30 0.00 0.00 42.92 41.42 3a22 s ASP 280 CO 0.50 -0.35 1.52 -0.81 -0.17 0.00 0.00 175.17 175.85 3a22 n PRO 281 N 4.33 0.96 0.00 4.34 -0.04 -1.26 -2.15 135.00 141.18 3a22 n PRO 281 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 3a22 n PRO 281 Cb 0.42 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 3a22 n PRO 281 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3a22 n ASP 282 N -0.73 0.00 -4.76 3.54 -0.08 -1.26 -4.75 116.55 108.51 3a22 n ASP 282 Ca 0.11 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 53.00 3a22 n ASP 282 Cb 0.05 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.53 3a22 n ASP 282 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 3a22 s MET 283 N -1.92 3.58 0.38 -0.67 -1.94 -1.26 -4.84 119.30 112.63 3a22 s MET 283 Ca 0.00 2.26 -0.27 0.00 -1.71 0.00 0.00 55.69 55.97 3a22 s MET 283 Cb 0.00 -2.54 -0.09 0.00 2.01 0.00 0.00 34.83 34.21 3a22 s MET 283 CO 0.00 -0.85 1.25 -0.51 -0.01 0.00 0.00 175.02 174.91 3a22 s LEU 284 N -2.93 4.28 0.00 -0.03 1.43 0.02 -4.91 118.68 116.54 3a22 s LEU 284 Ca 0.64 2.55 0.24 0.00 -1.03 0.00 0.00 54.13 56.53 3a22 s LEU 284 Cb -0.40 -3.86 0.39 0.00 0.03 0.00 0.00 46.19 42.34 3a22 s LEU 284 CO 0.51 -0.68 1.38 0.23 0.23 0.00 0.00 176.35 178.01 3a22 n MET 285 N 0.34 2.49 -1.63 1.70 2.81 -1.26 -2.61 117.12 118.97 3a22 n MET 285 Ca 0.03 -2.24 -0.54 0.00 -1.81 0.00 0.00 57.70 53.14 3a22 n MET 285 Cb 0.44 -1.51 -0.06 0.00 -0.71 0.00 0.00 33.22 31.38 3a22 n MET 285 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3a22 n VAL 286 N 1.49 0.09 -0.65 2.03 0.31 -1.26 -1.35 118.33 118.99 3a22 n VAL 286 Ca 0.19 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 3a22 n VAL 286 Cb 0.61 -0.93 0.00 0.00 -0.91 0.00 0.00 33.84 32.61 3a22 n VAL 286 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3a22 n GLY 287 N 3.02 1.07 3.82 2.92 0.00 -1.26 -4.15 105.19 110.60 3a22 n GLY 287 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 3a22 n GLY 287 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3a22 s MET 288 N -0.24 3.71 0.18 1.61 -1.94 -0.46 -4.81 119.30 117.35 3a22 s MET 288 Ca 0.00 1.16 -0.32 0.00 -1.71 0.00 0.00 55.69 54.82 3a22 s MET 288 Cb 0.00 -2.09 -0.11 0.00 2.01 0.00 0.00 34.83 34.63 3a22 s MET 288 CO 0.00 -0.48 1.72 -0.51 -0.01 0.00 0.00 175.02 175.74 3a22 s ASP 289 N -2.62 6.42 0.00 3.03 1.01 -1.26 -2.25 116.67 121.00 3a22 s ASP 289 Ca 0.63 2.80 0.00 0.00 0.71 0.00 0.00 52.55 56.69 3a22 s ASP 289 Cb -0.14 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.20 3a22 s ASP 289 CO 0.29 -0.96 0.00 0.61 0.21 0.00 0.00 175.17 175.32 3a22 n GLY 290 N 4.00 1.98 3.71 0.21 0.00 -1.26 -4.39 105.19 109.44 3a22 n GLY 290 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3a22 n GLY 290 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3a22 s PHE 291 N -2.16 3.69 0.74 1.61 0.40 -0.95 -5.03 117.98 116.28 3a22 s PHE 291 Ca 0.00 1.71 -0.10 0.00 -0.60 0.00 0.00 56.93 57.94 3a22 s PHE 291 Cb 0.00 -3.10 0.06 0.00 0.51 0.00 0.00 43.02 40.49 3a22 s PHE 291 CO 0.00 0.03 1.09 0.95 0.70 0.00 0.00 175.22 177.99 3a22 s THR 292 N 0.83 2.49 0.23 0.64 -4.23 -1.26 -4.84 115.64 109.49 3a22 s THR 292 Ca 0.51 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.96 3a22 s THR 292 Cb -0.21 -3.12 0.19 0.00 1.34 0.00 0.00 72.50 70.69 3a22 s THR 292 CO 0.28 -0.15 1.79 0.00 -0.54 0.00 0.00 174.62 176.00 3a22 h ALA 293 N -0.77 1.03 -0.67 3.99 0.00 -1.99 0.02 119.26 120.88 3a22 h ALA 293 Ca -0.45 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 3a22 h ALA 293 Cb 1.31 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 3a22 h ALA 293 CO 0.63 -0.01 0.29 0.00 0.00 0.00 0.00 179.25 180.17 3a22 h ALA 294 N 1.44 0.87 -0.58 0.00 0.00 -2.00 -0.57 119.26 118.42 3a22 h ALA 294 Ca 0.36 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 3a22 h ALA 294 Cb 0.37 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3a22 h ALA 294 CO -0.26 0.46 0.05 1.96 0.00 0.00 0.00 179.25 181.46 3a22 h GLN 295 N 0.94 0.96 -0.23 0.00 4.20 -1.78 -1.21 115.11 117.98 3a22 h GLN 295 Ca 0.23 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3a22 h GLN 295 Cb 0.17 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3a22 h GLN 295 CO -0.02 0.91 0.15 -0.91 -0.67 0.00 0.00 178.83 178.29 3a22 h ASN 296 N 0.89 0.25 -0.38 1.46 2.35 -0.63 0.19 115.58 119.72 3a22 h ASN 296 Ca 0.17 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 3a22 h ASN 296 Cb 0.45 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 3a22 h ASN 296 CO 0.02 0.18 0.22 0.03 -1.65 0.00 0.00 177.43 176.23 3a22 h ARG 297 N 0.30 0.53 -0.77 0.81 3.08 -0.99 -1.62 114.38 115.72 3a22 h ARG 297 Ca 0.09 -0.06 0.06 0.00 0.07 0.00 0.00 59.98 60.14 3a22 h ARG 297 Cb -0.03 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 29.86 3a22 h ARG 297 CO -0.02 0.42 0.47 1.15 -1.07 0.00 0.00 179.97 180.91 3a22 h THR 298 N 0.50 1.03 -0.42 2.04 2.02 -1.07 0.20 112.91 117.21 3a22 h THR 298 Ca 0.14 -0.30 0.06 0.00 0.77 0.00 0.00 66.41 67.08 3a22 h THR 298 Cb 0.03 0.09 -0.05 0.00 -1.74 0.00 0.00 68.15 66.48 3a22 h THR 298 CO -0.02 0.16 0.10 -0.74 0.37 0.00 0.00 175.52 175.38 3a22 h HIS 299 N 0.87 0.17 -0.68 3.16 6.17 -0.69 -1.75 115.15 122.40 3a22 h HIS 299 Ca 0.34 0.02 -0.04 0.00 0.71 0.00 0.00 60.37 61.40 3a22 h HIS 299 Cb 0.15 -0.01 -0.03 0.00 2.52 0.00 0.00 27.41 30.04 3a22 h HIS 299 CO -0.05 0.03 0.25 0.52 0.71 0.00 0.00 177.93 179.40 3a22 h MET 300 N 0.24 1.02 -0.28 5.26 2.07 -0.39 -2.46 114.93 120.39 3a22 h MET 300 Ca 0.20 -0.20 -0.01 0.00 -2.07 0.00 0.00 59.70 57.62 3a22 h MET 300 Cb 0.23 -0.16 -0.01 0.00 -1.87 0.00 0.00 31.60 29.79 3a22 h MET 300 CO -0.25 0.86 0.12 -0.91 1.07 0.00 0.00 176.91 177.80 3a22 h ASN 301 N 0.97 0.38 -0.26 1.22 2.35 -0.17 0.94 115.58 120.99 3a22 h ASN 301 Ca 0.22 -0.15 -0.19 0.00 -0.55 0.00 0.00 56.30 55.64 3a22 h ASN 301 Cb 0.23 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.51 3a22 h ASN 301 CO -0.02 0.43 -0.55 -0.07 -1.65 0.00 0.00 177.43 175.57 3a22 h LEU 302 N 0.31 0.96 -0.42 1.61 3.38 -1.33 0.39 115.31 120.22 3a22 h LEU 302 Ca 0.10 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 3a22 h LEU 302 Cb 0.16 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3a22 h LEU 302 CO -0.01 1.31 0.22 -0.50 0.09 0.00 0.00 178.44 179.56 3a22 h TRP 303 N 0.66 0.58 -0.68 1.13 -0.00 -1.32 -2.50 115.95 113.81 3a22 h TRP 303 Ca 0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 3a22 h TRP 303 Cb 1.16 -0.18 -0.03 0.00 -0.00 0.00 0.00 29.16 30.10 3a22 h TRP 303 CO 0.07 0.45 0.43 0.00 -0.00 0.00 0.00 178.44 179.39 3a22 h ALA 304 N 1.07 0.87 -0.03 1.49 0.00 -0.67 0.76 119.26 122.75 3a22 h ALA 304 Ca 0.15 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3a22 h ALA 304 Cb 0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3a22 h ALA 304 CO -0.02 0.32 -0.28 0.97 0.00 0.00 0.00 179.25 180.24 3a22 h ILE 305 N 0.93 1.21 0.00 0.00 6.09 -0.82 -1.71 117.51 123.21 3a22 h ILE 305 Ca 0.25 -1.01 -0.14 0.00 -1.37 0.00 0.00 64.86 62.58 3a22 h ILE 305 Cb -0.07 1.51 -0.02 0.00 0.47 0.00 0.00 36.82 38.71 3a22 h ILE 305 CO -0.05 0.29 -0.66 -1.28 -3.07 0.00 0.00 178.15 173.38 3a22 h SER 306 N 0.04 0.00 -0.14 2.19 0.87 -1.00 -0.12 113.55 115.39 3a22 h SER 306 Ca 0.01 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 3a22 h SER 306 Cb 0.52 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.48 3a22 h SER 306 CO 0.04 0.66 -0.03 0.61 -0.53 0.00 0.00 176.83 177.58 3a22 n GLY 307 N 0.69 0.34 3.78 5.77 0.00 -0.15 -4.15 105.19 111.48 3a22 n GLY 307 Ca -0.00 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.84 3a22 n GLY 307 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a22 s ALA 308 N -2.05 2.40 0.58 4.61 0.00 0.08 -4.56 121.76 122.82 3a22 s ALA 308 Ca 0.00 0.34 -0.20 0.00 0.00 0.00 0.00 51.96 52.10 3a22 s ALA 308 Cb 0.00 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 3a22 s ALA 308 CO 0.00 -1.49 1.16 -2.30 0.00 0.00 0.00 175.76 173.12 3a22 n PRO 309 N -3.04 1.22 -3.74 0.00 -0.02 -1.26 -4.82 135.00 123.35 3a22 n PRO 309 Ca 0.09 0.46 -0.35 0.00 -2.02 0.00 0.00 63.50 61.69 3a22 n PRO 309 Cb 0.53 -2.36 -0.09 0.00 -0.02 0.00 0.00 33.50 31.56 3a22 n PRO 309 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3a22 s LEU 310 N -2.79 5.21 -0.46 2.45 1.43 -0.22 -4.92 118.68 119.36 3a22 s LEU 310 Ca 0.75 -3.31 -0.06 0.00 -1.03 0.00 0.00 54.13 50.49 3a22 s LEU 310 Cb -0.42 -1.82 0.12 0.00 0.03 0.00 0.00 46.19 44.10 3a22 s LEU 310 CO 0.47 -0.25 0.30 -0.76 0.23 0.00 0.00 176.35 176.33 3a22 s LEU 311 N -0.72 5.46 0.56 1.79 1.43 -1.26 -0.57 118.68 125.37 3a22 s LEU 311 Ca 0.22 -2.09 -0.21 0.00 -1.03 0.00 0.00 54.13 51.02 3a22 s LEU 311 Cb -0.14 -1.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 3a22 s LEU 311 CO -0.08 -0.59 1.32 0.00 0.23 0.00 0.00 176.35 177.23 3a22 n ALA 312 N 4.59 1.41 -0.72 4.21 0.00 0.48 -0.80 120.51 129.67 3a22 n ALA 312 Ca -0.03 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3a22 n ALA 312 Cb 0.41 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.53 3a22 n ALA 312 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a22 n GLY 313 N 0.82 -0.70 3.84 0.00 0.00 -1.07 -0.64 105.19 107.44 3a22 n GLY 313 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3a22 n GLY 313 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a22 s ASN 314 N -0.17 3.68 -0.44 1.61 4.22 -1.26 -2.87 114.94 119.71 3a22 s ASN 314 Ca 0.00 0.78 -0.26 0.00 -2.14 0.00 0.00 52.86 51.24 3a22 s ASN 314 Cb 0.00 -1.23 0.03 0.00 1.28 0.00 0.00 41.25 41.33 3a22 s ASN 314 CO 0.00 -2.43 0.96 -0.62 -2.04 0.00 0.00 177.10 172.98 3a22 s ASP 315 N -4.35 6.56 0.51 3.54 -1.08 -1.26 -4.86 116.67 115.72 3a22 s ASP 315 Ca 0.65 0.27 0.30 0.00 -0.52 0.00 0.00 52.55 53.25 3a22 s ASP 315 Cb -0.12 -2.47 1.13 0.00 -1.46 0.00 0.00 42.92 40.01 3a22 s ASP 315 CO 0.52 -1.04 1.90 -0.07 0.52 0.00 0.00 175.17 176.99 3a22 h LEU 316 N 10.57 0.00 -0.74 -1.34 3.38 -1.95 -2.98 115.31 122.25 3a22 h LEU 316 Ca -0.24 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 3a22 h LEU 316 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 3a22 h LEU 316 CO 1.03 0.07 -0.27 0.71 0.09 0.00 0.00 178.44 180.07 3a22 h THR 317 N 0.00 0.57 -0.18 0.22 1.35 -1.91 -3.07 112.91 109.89 3a22 h THR 317 Ca -0.00 -1.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.49 3a22 h THR 317 Cb 0.63 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 3a22 h THR 317 CO 0.01 0.26 0.00 0.35 -0.25 0.00 0.00 175.52 175.89 3a22 n THR 318 N -3.32 1.73 -2.12 6.82 -2.24 -1.13 -5.04 114.28 108.98 3a22 n THR 318 Ca 0.01 -1.66 -0.42 0.00 -2.27 0.00 0.00 64.05 59.71 3a22 n THR 318 Cb 0.51 0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.73 3a22 n THR 318 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 3a22 s MET 319 N -2.19 4.32 0.83 -0.78 0.00 -1.16 -5.01 119.30 115.32 3a22 s MET 319 Ca 0.30 2.16 -0.12 0.00 0.00 0.00 0.00 55.69 58.03 3a22 s MET 319 Cb 0.23 -3.18 0.09 0.00 0.00 0.00 0.00 34.83 31.97 3a22 s MET 319 CO 0.08 -0.38 1.10 0.95 0.00 0.00 0.00 175.02 176.76 3a22 s THR 320 N 0.44 2.90 0.20 10.11 -4.23 -1.26 -4.88 115.64 118.92 3a22 s THR 320 Ca 0.61 0.29 -0.08 0.00 -1.18 0.00 0.00 61.69 61.33 3a22 s THR 320 Cb -0.39 -2.97 0.12 0.00 1.34 0.00 0.00 72.50 70.60 3a22 s THR 320 CO 0.37 -0.38 1.72 -1.28 -0.54 0.00 0.00 174.62 174.51 3a22 h SER 321 N -1.23 1.09 -0.50 3.99 0.87 -2.00 -1.79 113.55 113.98 3a22 h SER 321 Ca -0.48 -0.23 -0.03 0.00 -1.23 0.00 0.00 61.79 59.82 3a22 h SER 321 Cb 1.28 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 62.93 3a22 h SER 321 CO 0.58 1.03 0.19 -0.08 -0.53 0.00 0.00 176.83 178.02 3a22 h GLU 322 N 1.09 0.76 -0.26 2.24 4.81 -1.99 -1.98 114.58 119.25 3a22 h GLU 322 Ca 0.23 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3a22 h GLU 322 Cb 0.36 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3a22 h GLU 322 CO 0.00 0.69 0.15 1.15 -0.73 0.00 0.00 179.01 180.27 3a22 h THR 323 N 0.67 1.11 -0.67 0.32 2.02 -1.90 -1.09 112.91 113.37 3a22 h THR 323 Ca 0.17 -0.27 0.12 0.00 0.77 0.00 0.00 66.41 67.19 3a22 h THR 323 Cb 0.22 0.82 -0.08 0.00 -1.74 0.00 0.00 68.15 67.36 3a22 h THR 323 CO -0.01 0.10 0.25 0.00 0.37 0.00 0.00 175.52 176.23 3a22 h ALA 324 N 1.04 0.89 -0.06 6.16 0.00 -1.23 -0.79 119.26 125.28 3a22 h ALA 324 Ca 0.09 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3a22 h ALA 324 Cb 0.04 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3a22 h ALA 324 CO -0.02 -0.21 -0.30 0.78 0.00 0.00 0.00 179.25 179.51 3a22 h GLY 325 N 0.41 0.11 0.74 0.00 0.00 -0.95 -1.61 103.07 101.77 3a22 h GLY 325 Ca 0.35 -0.08 -0.09 0.00 0.00 0.00 0.00 47.33 47.51 3a22 h GLY 325 CO -0.36 0.08 -0.28 -2.22 0.00 0.00 0.00 176.54 173.76 3a22 h ILE 326 N 0.09 1.39 -0.37 2.60 2.04 -0.05 -2.38 117.51 120.83 3a22 h ILE 326 Ca 0.01 -1.59 0.04 0.00 1.00 0.00 0.00 64.86 64.32 3a22 h ILE 326 Cb 0.58 2.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 3a22 h ILE 326 CO 0.04 0.47 0.25 -0.07 0.00 0.00 0.00 178.15 178.83 3a22 h LEU 327 N -0.04 0.29 -1.82 1.44 3.38 -1.05 -3.12 115.31 114.38 3a22 h LEU 327 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3a22 h LEU 327 Cb 0.89 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3a22 h LEU 327 CO 0.06 0.19 0.00 0.29 0.09 0.00 0.00 178.44 179.08 3a22 n LYS 328 N -4.48 2.22 -1.61 1.13 5.02 -0.62 -4.92 118.16 114.89 3a22 n LYS 328 Ca 0.04 -1.81 -0.45 0.00 -2.02 0.00 0.00 58.31 54.07 3a22 n LYS 328 Cb 0.19 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.69 3a22 n LYS 328 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3a22 n ASN 329 N 1.11 3.40 0.19 4.39 2.85 -0.91 -4.82 115.26 121.48 3a22 n ASN 329 Ca 0.17 0.57 0.07 0.00 -0.11 0.00 0.00 54.58 55.28 3a22 n ASN 329 Cb 0.54 -1.47 0.32 0.00 1.24 0.00 0.00 39.78 40.40 3a22 n ASN 329 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3a22 h PRO 330 N 12.37 0.00 -0.04 1.20 0.13 -1.92 -0.87 132.00 142.86 3a22 h PRO 330 Ca -0.43 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.45 3a22 h PRO 330 Cb 1.26 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.40 3a22 h PRO 330 CO 0.96 0.33 -0.93 0.93 -0.23 0.00 0.00 178.00 179.06 3a22 h GLU 331 N 0.00 0.70 -0.30 0.86 5.08 -1.88 -0.26 114.58 118.78 3a22 h GLU 331 Ca -0.00 -0.70 -0.09 0.00 -1.00 0.00 0.00 59.36 57.56 3a22 h GLU 331 Cb 0.94 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 3a22 h GLU 331 CO 0.04 1.29 -0.17 0.28 -1.00 0.00 0.00 179.01 179.45 3a22 h VAL 332 N 0.39 1.29 -0.75 3.13 2.07 -1.82 -2.36 116.25 118.20 3a22 h VAL 332 Ca -0.10 -1.28 0.02 0.00 0.82 0.00 0.00 66.70 66.16 3a22 h VAL 332 Cb 1.58 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 32.78 3a22 h VAL 332 CO 0.19 0.41 0.48 0.40 0.02 0.00 0.00 177.57 179.07 3a22 h ILE 333 N 0.40 1.13 -0.78 4.57 2.04 -1.13 -1.46 117.51 122.29 3a22 h ILE 333 Ca 0.06 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 65.62 3a22 h ILE 333 Cb 0.70 0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 3a22 h ILE 333 CO 0.05 0.17 0.51 0.00 0.00 0.00 0.00 178.15 178.89 3a22 h ALA 334 N 1.31 1.49 -0.16 1.87 0.00 -0.92 0.12 119.26 122.97 3a22 h ALA 334 Ca 0.29 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3a22 h ALA 334 Cb -0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3a22 h ALA 334 CO -0.10 0.45 0.00 0.28 0.00 0.00 0.00 179.25 179.89 3a22 h VAL 335 N 1.00 1.25 -0.67 0.00 2.07 -1.00 -2.12 116.25 116.78 3a22 h VAL 335 Ca 0.30 -0.82 0.05 0.00 0.82 0.00 0.00 66.70 67.05 3a22 h VAL 335 Cb -0.03 1.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 3a22 h VAL 335 CO -0.08 0.24 0.39 -0.78 0.02 0.00 0.00 177.57 177.36 3a22 h ASP 336 N 0.02 0.59 -0.42 0.57 3.58 -0.58 -2.70 116.42 117.48 3a22 h ASP 336 Ca 0.04 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.52 3a22 h ASP 336 Cb 0.36 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.32 3a22 h ASP 336 CO 0.01 0.39 0.00 0.00 -2.88 0.00 0.00 179.24 176.76 3a22 n GLN 337 N -4.76 3.71 -1.52 0.28 1.13 0.34 -4.42 117.38 112.14 3a22 n GLN 337 Ca 0.08 -2.24 -0.50 0.00 -1.94 0.00 0.00 57.00 52.40 3a22 n GLN 337 Cb 0.15 -2.01 -0.04 0.00 0.11 0.00 0.00 30.24 28.44 3a22 n GLN 337 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3a22 n ASP 338 N 0.49 0.46 0.32 1.08 2.03 -0.80 -4.83 116.55 115.30 3a22 n ASP 338 Ca 0.20 1.15 0.20 0.00 0.52 0.00 0.00 54.79 56.85 3a22 n ASP 338 Cb 0.90 -1.11 1.09 0.00 -0.72 0.00 0.00 41.12 41.29 3a22 n ASP 338 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3a22 h SER 339 N 2.57 0.00 1.79 1.67 0.02 -1.88 -2.60 113.55 115.13 3a22 h SER 339 Ca -0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 3a22 h SER 339 Cb 1.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.92 3a22 h SER 339 CO 0.65 0.00 -0.14 -0.09 -1.14 0.00 0.00 176.83 176.11 3a22 h ARG 340 N 0.00 0.00 0.00 3.45 2.43 -1.88 -0.92 114.38 117.46 3a22 h ARG 340 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3a22 h ARG 340 Cb 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3a22 h ARG 340 CO -0.00 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.87 3a22 n GLY 341 N 1.14 0.57 3.84 2.80 0.00 -0.98 -4.61 105.19 107.95 3a22 n GLY 341 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 3a22 n GLY 341 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a22 s LEU 342 N 0.00 3.70 -0.10 0.99 1.43 -1.26 -4.17 118.68 119.27 3a22 s LEU 342 Ca 0.00 1.51 -0.14 0.00 -1.03 0.00 0.00 54.13 54.47 3a22 s LEU 342 Cb 0.00 -4.43 -0.05 0.00 0.03 0.00 0.00 46.19 41.74 3a22 s LEU 342 CO 0.00 -0.52 0.34 -1.58 0.23 0.00 0.00 176.35 174.82 3a22 s GLN 343 N -3.91 4.09 0.81 1.70 0.74 -1.26 -4.67 119.66 117.16 3a22 s GLN 343 Ca 0.58 0.23 -0.13 0.00 0.05 0.00 0.00 55.36 56.09 3a22 s GLN 343 Cb -0.10 -3.34 0.08 0.00 1.10 0.00 0.00 33.01 30.75 3a22 s GLN 343 CO 0.29 0.41 1.18 0.20 -0.55 0.00 0.00 175.29 176.83 3a22 s GLY 344 N -0.11 2.06 0.05 2.59 0.00 -0.06 -4.79 107.32 107.06 3a22 s GLY 344 Ca 0.20 0.76 -0.04 0.00 0.00 0.00 0.00 44.72 45.64 3a22 s GLY 344 CO 0.08 1.17 0.06 -1.34 0.00 0.00 0.00 173.10 173.06 3a22 s VAL 345 N -2.27 0.17 0.09 1.40 -7.23 0.15 -4.81 120.40 107.90 3a22 s VAL 345 Ca 0.71 -1.43 -0.31 0.00 -1.81 0.00 0.00 61.98 59.15 3a22 s VAL 345 Cb -0.27 -1.25 -0.07 0.00 0.56 0.00 0.00 36.38 35.36 3a22 s VAL 345 CO 0.51 -0.79 1.29 -0.75 -0.31 0.00 0.00 175.10 175.05 3a22 s LYS 346 N -3.45 4.38 -0.00 4.82 2.20 -1.26 -0.58 119.74 125.85 3a22 s LYS 346 Ca 0.02 1.91 0.05 0.00 -0.36 0.00 0.00 55.97 57.60 3a22 s LYS 346 Cb 0.04 -3.30 -0.07 0.00 -1.51 0.00 0.00 37.83 33.00 3a22 s LYS 346 CO -0.08 -0.34 0.19 1.33 -0.36 0.00 0.00 175.35 176.08 3a22 n VAL 347 N 3.92 0.00 -3.56 4.02 0.24 0.16 -4.34 118.33 118.77 3a22 n VAL 347 Ca 0.10 -0.29 -0.16 0.00 -2.04 0.00 0.00 64.34 61.95 3a22 n VAL 347 Cb 0.44 0.78 -0.06 0.00 -1.47 0.00 0.00 33.84 33.53 3a22 n VAL 347 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a22 s ALA 348 N -1.80 -1.79 -0.45 2.33 0.00 -1.06 -4.39 121.76 114.59 3a22 s ALA 348 Ca 0.01 1.54 0.07 0.00 0.00 0.00 0.00 51.96 53.57 3a22 s ALA 348 Cb 0.04 -0.41 0.22 0.00 0.00 0.00 0.00 23.12 22.98 3a22 s ALA 348 CO 0.22 -0.35 0.67 -1.91 0.00 0.00 0.00 175.76 174.39 3a22 n GLU 349 N 1.39 0.63 0.07 0.00 2.13 -1.26 -1.39 120.64 122.22 3a22 n GLU 349 Ca -0.17 -2.44 -0.04 0.00 0.66 0.00 0.00 57.16 55.17 3a22 n GLU 349 Cb 0.57 -1.42 0.17 0.00 0.27 0.00 0.00 31.44 31.03 3a22 n GLU 349 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 3a22 h ASP 350 N 4.40 0.31 -3.68 4.31 3.32 -1.97 -3.41 116.42 119.71 3a22 h ASP 350 Ca 0.01 -0.15 -0.68 0.00 0.02 0.00 0.00 57.03 56.23 3a22 h ASP 350 Cb 0.98 -0.09 -0.31 0.00 0.22 0.00 0.00 39.33 40.13 3a22 h ASP 350 CO 0.32 0.75 -0.87 -0.89 -1.72 0.00 0.00 179.24 176.83 3a22 s THR 351 N -4.02 2.17 0.16 0.35 2.01 -1.26 -4.94 115.64 110.11 3a22 s THR 351 Ca -0.05 -1.00 -0.33 0.00 0.31 0.00 0.00 61.69 60.61 3a22 s THR 351 Cb 0.13 -1.81 -0.15 0.00 0.01 0.00 0.00 72.50 70.67 3a22 s THR 351 CO 0.79 0.56 1.30 0.41 -0.69 0.00 0.00 174.62 176.99 3a22 n THR 352 N 3.21 0.60 -0.50 -0.82 -1.04 -1.26 -1.21 114.28 113.26 3a22 n THR 352 Ca -0.18 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 3a22 n THR 352 Cb 0.52 -1.04 0.00 0.00 -1.82 0.00 0.00 70.33 68.00 3a22 n THR 352 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3a22 n GLY 353 N 2.31 1.87 3.18 3.41 0.00 -1.26 -4.86 105.19 109.84 3a22 n GLY 353 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 3a22 n GLY 353 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a22 s LEU 354 N 0.00 5.02 0.10 0.99 1.43 -0.35 0.16 118.68 126.02 3a22 s LEU 354 Ca 0.00 -1.74 0.09 0.00 -1.03 0.00 0.00 54.13 51.45 3a22 s LEU 354 Cb 0.00 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 3a22 s LEU 354 CO 0.00 -0.50 -0.24 -1.10 0.23 0.00 0.00 176.35 174.74 3a22 s GLN 355 N 1.25 1.35 -0.13 1.70 -0.21 -0.11 -4.12 119.66 119.40 3a22 s GLN 355 Ca 0.04 -1.19 0.02 0.00 0.02 0.00 0.00 55.36 54.25 3a22 s GLN 355 Cb -0.23 -1.67 0.01 0.00 1.00 0.00 0.00 33.01 32.12 3a22 s GLN 355 CO -0.02 0.40 -0.21 0.00 -2.12 0.00 0.00 175.29 173.35 3a22 s ALA 356 N -1.02 2.13 -0.13 6.09 0.00 -0.49 -0.93 121.76 127.41 3a22 s ALA 356 Ca 0.10 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 3a22 s ALA 356 Cb -0.10 -0.95 -0.03 0.00 0.00 0.00 0.00 23.12 22.04 3a22 s ALA 356 CO 0.04 -0.03 -0.03 0.71 0.00 0.00 0.00 175.76 176.46 3a22 s TYR 357 N 0.83 3.06 0.04 0.00 1.51 0.47 -0.67 117.35 122.59 3a22 s TYR 357 Ca -0.07 -0.10 0.09 0.00 -1.01 0.00 0.00 57.07 55.97 3a22 s TYR 357 Cb -0.15 -1.89 -0.03 0.00 -0.11 0.00 0.00 41.96 39.78 3a22 s TYR 357 CO -0.01 0.16 -0.25 0.20 -1.11 0.00 0.00 175.55 174.54 3a22 s GLY 358 N -0.13 1.31 -0.07 0.71 0.00 0.25 -0.95 107.32 108.44 3a22 s GLY 358 Ca 0.03 -1.19 0.02 0.00 0.00 0.00 0.00 44.72 43.58 3a22 s GLY 358 CO 0.02 -1.08 -0.13 1.25 0.00 0.00 0.00 173.10 173.16 3a22 s LYS 359 N -1.15 1.79 -0.28 2.90 2.20 0.22 -0.67 119.74 124.75 3a22 s LYS 359 Ca 0.10 -0.44 -0.29 0.00 -0.36 0.00 0.00 55.97 54.99 3a22 s LYS 359 Cb -0.10 -1.49 0.01 0.00 -1.51 0.00 0.00 37.83 34.74 3a22 s LYS 359 CO 0.02 0.01 1.15 0.08 -0.36 0.00 0.00 175.35 176.25 3a22 s VAL 360 N 0.72 4.42 0.50 4.02 1.01 -1.26 -1.14 120.40 128.67 3a22 s VAL 360 Ca -0.13 1.65 0.04 0.00 0.00 0.00 0.00 61.98 63.53 3a22 s VAL 360 Cb -0.16 -4.29 0.02 0.00 0.00 0.00 0.00 36.38 31.95 3a22 s VAL 360 CO 0.03 -0.40 0.69 -0.76 0.00 0.00 0.00 175.10 174.67 3a22 s LEU 361 N 3.74 3.44 0.76 3.92 1.43 -0.96 -4.65 118.68 126.37 3a22 s LEU 361 Ca 0.49 -0.14 -0.15 0.00 -1.03 0.00 0.00 54.13 53.31 3a22 s LEU 361 Cb -0.15 -2.81 0.06 0.00 0.03 0.00 0.00 46.19 43.32 3a22 s LEU 361 CO 0.16 -0.98 1.23 -0.94 0.23 0.00 0.00 176.35 176.05 3a22 s SER 362 N -4.38 3.85 0.05 2.29 1.04 -1.26 -4.71 113.70 110.58 3a22 s SER 362 Ca 0.56 2.44 0.00 0.00 0.48 0.00 0.00 55.95 59.42 3a22 s SER 362 Cb -0.10 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.42 3a22 s SER 362 CO 0.36 -2.50 0.00 0.61 0.98 0.00 0.00 173.24 172.70 3a22 n GLY 363 N 0.60 -1.44 3.11 7.32 0.00 -1.26 -4.76 105.19 108.76 3a22 n GLY 363 Ca 0.14 -1.30 -0.21 0.00 0.00 0.00 0.00 46.02 44.65 3a22 n GLY 363 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a22 s THR 364 N 0.00 1.09 -0.85 2.61 -4.23 -1.26 -4.73 115.64 108.27 3a22 s THR 364 Ca 0.00 -0.70 0.00 0.00 -1.18 0.00 0.00 61.69 59.81 3a22 s THR 364 Cb 0.00 -0.93 0.00 0.00 1.34 0.00 0.00 72.50 72.91 3a22 s THR 364 CO 0.00 0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.91 3a22 n GLY 365 N 2.51 0.25 3.15 3.99 0.00 -1.26 -4.72 105.19 109.11 3a22 n GLY 365 Ca -0.15 -0.52 -0.27 0.00 0.00 0.00 0.00 46.02 45.08 3a22 n GLY 365 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a22 s ASN 366 N -2.66 2.30 -0.01 1.61 0.01 -1.26 -1.31 114.94 113.64 3a22 s ASN 366 Ca 0.00 -0.38 -0.04 0.00 -0.71 0.00 0.00 52.86 51.73 3a22 s ASN 366 Cb 0.00 -0.66 -0.00 0.00 0.41 0.00 0.00 41.25 41.00 3a22 s ASN 366 CO 0.00 0.16 0.09 -0.13 -1.51 0.00 0.00 177.10 175.71 3a22 s ARG 367 N 0.03 0.32 0.09 -0.60 1.81 0.77 -2.25 118.95 119.12 3a22 s ARG 367 Ca -0.04 -0.26 0.03 0.00 -1.72 0.00 0.00 55.73 53.74 3a22 s ARG 367 Cb -0.12 0.13 -0.04 0.00 -0.45 0.00 0.00 34.95 34.47 3a22 s ARG 367 CO 0.03 -0.06 0.10 0.00 -0.68 0.00 0.00 175.30 174.68 3a22 s ALA 368 N -0.91 3.58 -0.02 2.13 0.00 -0.29 -0.36 121.76 125.90 3a22 s ALA 368 Ca -0.10 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 50.82 3a22 s ALA 368 Cb -0.06 -1.44 0.02 0.00 0.00 0.00 0.00 23.12 21.64 3a22 s ALA 368 CO 0.00 0.71 -0.01 0.08 0.00 0.00 0.00 175.76 176.54 3a22 s VAL 369 N -1.46 0.23 -0.17 0.00 1.01 0.03 -0.61 120.40 119.42 3a22 s VAL 369 Ca 0.30 -0.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.24 3a22 s VAL 369 Cb -0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 3a22 s VAL 369 CO 0.22 0.12 -0.06 -0.69 0.00 0.00 0.00 175.10 174.69 3a22 s VAL 370 N 0.60 3.50 -0.26 2.92 1.01 -0.13 -0.30 120.40 127.74 3a22 s VAL 370 Ca -0.06 -0.48 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 3a22 s VAL 370 Cb -0.09 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 3a22 s VAL 370 CO -0.01 0.48 0.15 -0.76 0.00 0.00 0.00 175.10 174.96 3a22 s LEU 371 N 0.73 3.89 -0.08 3.92 1.43 -0.02 -0.40 118.68 128.15 3a22 s LEU 371 Ca -0.03 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 3a22 s LEU 371 Cb -0.15 -2.06 0.01 0.00 0.03 0.00 0.00 46.19 44.02 3a22 s LEU 371 CO 0.02 -0.01 -0.17 -0.22 0.23 0.00 0.00 176.35 176.20 3a22 s LEU 372 N 1.52 1.83 -0.40 1.79 2.96 -0.11 -0.76 118.68 125.51 3a22 s LEU 372 Ca 0.07 -0.40 -0.03 0.00 -0.22 0.00 0.00 54.13 53.55 3a22 s LEU 372 Cb -0.15 -1.04 0.10 0.00 0.50 0.00 0.00 46.19 45.59 3a22 s LEU 372 CO 0.08 0.09 0.18 0.21 -1.32 0.00 0.00 176.35 175.59 3a22 s ASN 373 N 0.49 5.24 0.00 3.68 3.84 -0.61 -0.93 114.94 126.65 3a22 s ASN 373 Ca -0.15 -1.89 0.20 0.00 0.21 0.00 0.00 52.86 51.23 3a22 s ASN 373 Cb -0.16 -1.83 0.69 0.00 -0.55 0.00 0.00 41.25 39.40 3a22 s ASN 373 CO 0.05 -0.51 1.51 0.54 -2.79 0.00 0.00 177.10 175.91 3a22 n ARG 374 N 4.62 1.82 -2.35 0.43 1.74 0.12 -0.38 116.66 122.66 3a22 n ARG 374 Ca -0.04 -1.23 -0.25 0.00 -0.77 0.00 0.00 57.85 55.56 3a22 n ARG 374 Cb 0.42 -1.40 0.10 0.00 -1.02 0.00 0.00 32.46 30.56 3a22 n ARG 374 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3a22 s THR 375 N -1.74 2.23 -2.22 0.55 -4.23 -1.25 -4.79 115.64 104.19 3a22 s THR 375 Ca 0.32 -0.39 0.19 0.00 -1.18 0.00 0.00 61.69 60.63 3a22 s THR 375 Cb 0.18 -2.84 0.42 0.00 1.34 0.00 0.00 72.50 71.60 3a22 s THR 375 CO 0.26 0.00 1.47 -1.54 -0.54 0.00 0.00 174.62 174.27 3a22 n SER 376 N -2.95 1.86 -4.09 3.99 3.41 -1.26 -3.08 113.62 111.50 3a22 n SER 376 Ca 0.12 -1.80 -0.15 0.00 -0.26 0.00 0.00 58.87 56.78 3a22 n SER 376 Cb 0.60 -0.15 -0.12 0.00 -0.26 0.00 0.00 64.21 64.28 3a22 n SER 376 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3a22 s ALA 377 N -1.70 0.75 0.35 7.33 0.00 -1.26 -4.84 121.76 122.39 3a22 s ALA 377 Ca 0.31 -0.79 -0.29 0.00 0.00 0.00 0.00 51.96 51.19 3a22 s ALA 377 Cb 0.17 -0.02 -0.11 0.00 0.00 0.00 0.00 23.12 23.16 3a22 s ALA 377 CO 0.24 0.05 1.53 0.00 0.00 0.00 0.00 175.76 177.58 3a22 s ALA 378 N -1.23 3.63 0.04 0.00 0.00 -1.26 -3.95 121.76 119.00 3a22 s ALA 378 Ca -0.06 1.59 -0.13 0.00 0.00 0.00 0.00 51.96 53.35 3a22 s ALA 378 Cb -0.09 -3.63 0.02 0.00 0.00 0.00 0.00 23.12 19.42 3a22 s ALA 378 CO 0.01 -1.05 0.30 -1.01 0.00 0.00 0.00 175.76 174.01 3a22 s HIS 379 N -0.76 -0.10 0.34 0.00 4.02 -0.60 -4.91 115.29 113.28 3a22 s HIS 379 Ca 0.56 -0.05 -0.28 0.00 1.02 0.00 0.00 55.06 56.32 3a22 s HIS 379 Cb -0.47 0.09 -0.09 0.00 -1.02 0.00 0.00 32.58 31.08 3a22 s HIS 379 CO 0.59 -0.50 1.17 -0.51 1.02 0.00 0.00 174.74 176.51 3a22 s ASP 380 N -2.07 6.86 -0.03 1.40 1.01 -1.26 -0.73 116.67 121.85 3a22 s ASP 380 Ca -0.05 2.39 0.03 0.00 0.71 0.00 0.00 52.55 55.63 3a22 s ASP 380 Cb -0.01 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.30 3a22 s ASP 380 CO -0.03 -0.44 -0.10 -0.63 0.21 0.00 0.00 175.17 174.17 3a22 s ILE 381 N -1.27 0.92 -0.01 0.77 1.01 -0.16 -4.92 121.20 117.54 3a22 s ILE 381 Ca 0.51 -0.42 0.05 0.00 0.00 0.00 0.00 60.65 60.78 3a22 s ILE 381 Cb -0.33 -0.82 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 3a22 s ILE 381 CO 0.42 0.29 -0.13 -0.89 0.00 0.00 0.00 174.94 174.63 3a22 s THR 382 N 0.27 3.16 -0.08 2.92 2.01 -1.26 -1.69 115.64 120.97 3a22 s THR 382 Ca -0.05 -0.88 0.04 0.00 0.31 0.00 0.00 61.69 61.11 3a22 s THR 382 Cb -0.10 -2.31 -0.01 0.00 0.01 0.00 0.00 72.50 70.09 3a22 s THR 382 CO 0.01 0.45 -0.20 0.54 -0.69 0.00 0.00 174.62 174.73 3a22 s VAL 383 N -0.87 2.44 -0.05 3.82 0.11 0.23 -4.78 120.40 121.29 3a22 s VAL 383 Ca 0.14 -0.91 -0.03 0.00 -2.93 0.00 0.00 61.98 58.24 3a22 s VAL 383 Cb -0.11 -1.94 -0.04 0.00 -1.53 0.00 0.00 36.38 32.77 3a22 s VAL 383 CO 0.04 0.56 0.12 -0.13 -3.33 0.00 0.00 175.10 172.36 3a22 s ARG 384 N -0.05 3.29 0.29 1.54 0.52 -1.26 -1.36 118.95 121.91 3a22 s ARG 384 Ca -0.06 -0.31 -0.01 0.00 -0.52 0.00 0.00 55.73 54.83 3a22 s ARG 384 Cb -0.14 -3.03 0.47 0.00 0.52 0.00 0.00 34.95 32.76 3a22 s ARG 384 CO 0.05 0.71 1.90 -1.49 0.02 0.00 0.00 175.30 176.49 3a22 h TRP 385 N 4.44 1.12 -0.90 -0.53 -0.00 -1.24 -2.50 115.95 116.33 3a22 h TRP 385 Ca -0.51 0.03 0.02 0.00 -0.00 0.00 0.00 58.89 58.43 3a22 h TRP 385 Cb 1.20 -0.37 -0.05 0.00 -0.00 0.00 0.00 29.16 29.95 3a22 h TRP 385 CO 0.69 0.59 0.60 0.66 -0.00 0.00 0.00 178.44 180.98 3a22 h SER 386 N 1.11 1.01 0.31 -3.49 4.64 -1.80 -1.35 113.55 113.97 3a22 h SER 386 Ca 0.40 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.62 3a22 h SER 386 Cb 0.16 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 3a22 h SER 386 CO -0.15 0.72 -0.37 0.44 -0.87 0.00 0.00 176.83 176.60 3a22 h ASP 387 N 1.19 0.10 0.54 4.97 3.32 -1.76 -2.60 116.42 122.18 3a22 h ASP 387 Ca 0.34 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.36 3a22 h ASP 387 Cb -0.08 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.44 3a22 h ASP 387 CO -0.09 0.46 -0.05 0.18 -1.72 0.00 0.00 179.24 178.02 3a22 n LEU 388 N -4.08 0.16 0.00 1.55 4.77 -0.60 -1.14 117.00 117.65 3a22 n LEU 388 Ca -0.02 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 3a22 n LEU 388 Cb 0.42 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3a22 n LEU 388 CO 0.40 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3a22 n GLY 389 N 1.31 0.48 3.75 -0.72 0.00 -0.96 -4.89 105.19 104.16 3a22 n GLY 389 Ca 0.13 -0.90 -0.23 0.00 0.00 0.00 0.00 46.02 45.02 3a22 n GLY 389 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a22 s LEU 390 N 0.00 3.59 0.70 0.99 1.43 -0.66 -1.42 118.68 123.31 3a22 s LEU 390 Ca 0.00 -0.36 -0.07 0.00 -1.03 0.00 0.00 54.13 52.67 3a22 s LEU 390 Cb 0.00 -2.14 0.05 0.00 0.03 0.00 0.00 46.19 44.13 3a22 s LEU 390 CO 0.00 0.00 1.02 0.42 0.23 0.00 0.00 176.35 178.02 3a22 s THR 391 N -2.09 2.55 -1.27 5.49 -4.23 0.19 -3.78 115.64 112.51 3a22 s THR 391 Ca 0.32 -0.15 -0.13 0.00 -1.18 0.00 0.00 61.69 60.55 3a22 s THR 391 Cb -0.08 -3.11 -0.05 0.00 1.34 0.00 0.00 72.50 70.60 3a22 s THR 391 CO 0.23 -0.12 2.36 0.59 -0.54 0.00 0.00 174.62 177.14 3a22 n ASN 392 N -2.91 5.24 -4.38 3.99 5.03 -1.26 -4.71 115.26 116.26 3a22 n ASN 392 Ca 0.07 -2.63 -0.21 0.00 0.87 0.00 0.00 54.58 52.68 3a22 n ASN 392 Cb 0.60 -1.41 -0.10 0.00 -1.02 0.00 0.00 39.78 37.84 3a22 n ASN 392 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3a22 s ALA 393 N 3.29 2.24 0.28 5.41 0.00 -1.17 -4.83 121.76 126.97 3a22 s ALA 393 Ca 0.54 -1.66 -0.30 0.00 0.00 0.00 0.00 51.96 50.54 3a22 s ALA 393 Cb 0.14 -0.18 -0.13 0.00 0.00 0.00 0.00 23.12 22.96 3a22 s ALA 393 CO -0.03 0.20 1.33 0.43 0.00 0.00 0.00 175.76 177.69 3a22 n SER 394 N -0.19 2.63 -3.89 0.00 7.64 -1.26 -4.30 113.62 114.25 3a22 n SER 394 Ca -0.09 1.17 -0.09 0.00 1.01 0.00 0.00 58.87 60.86 3a22 n SER 394 Cb 0.59 -1.43 -0.08 0.00 -1.01 0.00 0.00 64.21 62.27 3a22 n SER 394 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3a22 s ALA 395 N -0.50 -0.15 -0.16 -0.43 0.00 0.02 -4.24 121.76 116.29 3a22 s ALA 395 Ca 0.63 -0.56 -0.06 0.00 0.00 0.00 0.00 51.96 51.97 3a22 s ALA 395 Cb -0.63 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 3a22 s ALA 395 CO 0.55 -0.41 0.03 0.99 0.00 0.00 0.00 175.76 176.92 3a22 s THR 396 N -3.18 4.51 -0.17 0.00 2.01 -0.20 -1.74 115.64 116.88 3a22 s THR 396 Ca -0.00 -0.14 -0.10 0.00 0.31 0.00 0.00 61.69 61.76 3a22 s THR 396 Cb 0.02 -3.01 -0.05 0.00 0.01 0.00 0.00 72.50 69.48 3a22 s THR 396 CO -0.07 0.49 0.17 -0.69 -0.69 0.00 0.00 174.62 173.83 3a22 s VAL 397 N 0.22 5.40 -0.03 3.82 1.01 0.23 -1.50 120.40 129.55 3a22 s VAL 397 Ca 0.02 0.28 0.04 0.00 0.00 0.00 0.00 61.98 62.32 3a22 s VAL 397 Cb -0.13 -3.49 -0.00 0.00 0.00 0.00 0.00 36.38 32.76 3a22 s VAL 397 CO 0.01 0.48 -0.14 -0.60 0.00 0.00 0.00 175.10 174.85 3a22 s ARG 398 N 0.02 1.43 -0.29 2.72 3.52 -0.48 -0.64 118.95 125.23 3a22 s ARG 398 Ca 0.12 -0.49 -0.17 0.00 -0.13 0.00 0.00 55.73 55.05 3a22 s ARG 398 Cb -0.12 -1.28 -0.02 0.00 -1.56 0.00 0.00 34.95 31.97 3a22 s ARG 398 CO 0.01 0.21 0.49 0.34 -0.81 0.00 0.00 175.30 175.53 3a22 s ASP 399 N 0.06 6.36 0.14 -2.12 -1.08 -0.51 -0.99 116.67 118.53 3a22 s ASP 399 Ca -0.03 0.32 0.27 0.00 -0.52 0.00 0.00 52.55 52.60 3a22 s ASP 399 Cb -0.10 -2.26 0.96 0.00 -1.46 0.00 0.00 42.92 40.05 3a22 s ASP 399 CO 0.01 -0.32 1.83 0.18 0.52 0.00 0.00 175.17 177.39 3a22 n LEU 400 N 5.56 0.54 -0.05 -1.34 4.77 -0.30 -0.63 117.00 125.54 3a22 n LEU 400 Ca -0.05 0.55 -0.20 0.00 -0.03 0.00 0.00 56.01 56.28 3a22 n LEU 400 Cb 0.50 -0.38 -0.13 0.00 -2.33 0.00 0.00 43.42 41.07 3a22 n LEU 400 CO 0.41 -0.12 -1.02 0.79 -1.33 0.00 0.00 177.39 176.12 3a22 n TRP 401 N -2.00 0.77 0.29 -1.77 7.02 -1.26 -3.98 117.44 116.51 3a22 n TRP 401 Ca 0.06 0.16 0.17 0.00 -1.02 0.00 0.00 57.50 56.88 3a22 n TRP 401 Cb 0.40 -1.10 0.83 0.00 -2.42 0.00 0.00 31.31 29.02 3a22 n TRP 401 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3a22 h ALA 402 N 0.04 1.08 -6.27 6.99 0.00 -1.93 -3.47 119.26 115.70 3a22 h ALA 402 Ca -0.49 -0.04 -0.46 0.00 0.00 0.00 0.00 54.91 53.93 3a22 h ALA 402 Cb 1.98 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.76 3a22 h ALA 402 CO 0.02 0.06 -0.84 0.54 0.00 0.00 0.00 179.25 179.02 3a22 n ARG 403 N -3.25 -4.35 -3.73 0.00 5.12 0.20 -5.00 116.66 105.64 3a22 n ARG 403 Ca -0.01 0.54 -0.14 0.00 -1.93 0.00 0.00 57.85 56.31 3a22 n ARG 403 Cb 0.23 -4.98 -0.09 0.00 -1.16 0.00 0.00 32.46 26.47 3a22 n ARG 403 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 3a22 s GLN 404 N -6.26 0.64 0.31 5.56 -2.07 -1.03 -5.02 119.66 111.80 3a22 s GLN 404 Ca 0.08 0.06 -0.29 0.00 -1.82 0.00 0.00 55.36 53.39 3a22 s GLN 404 Cb -0.04 0.29 -0.10 0.00 -1.09 0.00 0.00 33.01 32.07 3a22 s GLN 404 CO 0.84 -0.16 1.26 -0.80 -1.32 0.00 0.00 175.29 175.12 3a22 s ASN 405 N -0.88 6.89 0.00 12.60 0.01 -1.26 -1.43 114.94 130.87 3a22 s ASN 405 Ca -0.09 2.58 0.00 0.00 -0.71 0.00 0.00 52.86 54.64 3a22 s ASN 405 Cb -0.04 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 38.98 3a22 s ASN 405 CO 0.04 -0.45 0.76 1.33 -1.51 0.00 0.00 177.10 177.26 3a22 n VAL 406 N 1.01 0.56 0.00 1.60 0.24 0.19 -4.91 118.33 117.02 3a22 n VAL 406 Ca 0.00 -0.60 0.00 0.00 -2.04 0.00 0.00 64.34 61.70 3a22 n VAL 406 Cb 0.42 0.76 0.00 0.00 -1.47 0.00 0.00 33.84 33.56 3a22 n VAL 406 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a22 n GLY 407 N -0.28 2.80 3.34 7.63 0.00 -1.22 -4.97 105.19 112.49 3a22 n GLY 407 Ca 0.00 -1.28 -0.23 0.00 0.00 0.00 0.00 46.02 44.51 3a22 n GLY 407 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a22 s THR 408 N -2.00 1.89 0.02 2.61 -4.23 -1.26 -0.60 115.64 112.07 3a22 s THR 408 Ca 0.00 -1.85 -0.19 0.00 -1.18 0.00 0.00 61.69 58.46 3a22 s THR 408 Cb 0.00 -1.83 0.04 0.00 1.34 0.00 0.00 72.50 72.05 3a22 s THR 408 CO 0.00 -0.22 0.43 -0.55 -0.54 0.00 0.00 174.62 173.74 3a22 s SER 409 N -2.49 -0.32 0.00 3.99 0.15 -0.71 -4.96 113.70 109.35 3a22 s SER 409 Ca 0.15 0.11 0.23 0.00 0.70 0.00 0.00 55.95 57.14 3a22 s SER 409 Cb -0.07 0.42 0.45 0.00 -1.71 0.00 0.00 66.02 65.11 3a22 s SER 409 CO 0.07 -0.62 1.41 0.00 1.20 0.00 0.00 173.24 175.30 3a22 n ALA 410 N 0.69 2.42 0.00 5.45 0.00 -1.26 -0.80 120.51 127.01 3a22 n ALA 410 Ca -0.19 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.27 3a22 n ALA 410 Cb 0.59 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.15 3a22 n ALA 410 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3a22 n THR 411 N 1.45 0.00 -3.37 0.00 -2.24 -1.26 -3.05 114.28 105.82 3a22 n THR 411 Ca 0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 3a22 n THR 411 Cb 0.60 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 3a22 n THR 411 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a22 n GLY 412 N 1.53 -1.40 3.24 3.38 0.00 -1.26 -0.69 105.19 109.99 3a22 n GLY 412 Ca 0.00 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.81 3a22 n GLY 412 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3a22 s TYR 413 N -2.93 -0.33 -0.06 1.61 5.04 -0.47 -4.68 117.35 115.54 3a22 s TYR 413 Ca 0.00 0.76 0.03 0.00 -2.44 0.00 0.00 57.07 55.42 3a22 s TYR 413 Cb 0.00 0.12 0.01 0.00 0.35 0.00 0.00 41.96 42.44 3a22 s TYR 413 CO 0.00 -0.25 -0.14 0.99 -1.34 0.00 0.00 175.55 174.81 3a22 s THR 414 N -0.24 1.25 0.07 4.34 2.01 -1.26 -0.60 115.64 121.20 3a22 s THR 414 Ca -0.04 -0.57 0.04 0.00 0.31 0.00 0.00 61.69 61.43 3a22 s THR 414 Cb -0.03 -1.11 -0.03 0.00 0.01 0.00 0.00 72.50 71.34 3a22 s THR 414 CO 0.02 0.37 -0.12 0.00 -0.69 0.00 0.00 174.62 174.19 3a22 s ALA 415 N 0.41 1.06 0.06 7.40 0.00 -0.68 -4.96 121.76 125.06 3a22 s ALA 415 Ca -0.10 -0.99 -0.30 0.00 0.00 0.00 0.00 51.96 50.57 3a22 s ALA 415 Cb -0.14 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.87 3a22 s ALA 415 CO 0.03 0.11 1.12 0.45 0.00 0.00 0.00 175.76 177.47 3a22 s SER 416 N -1.81 7.20 -0.10 0.00 0.15 -1.26 -0.99 113.70 116.88 3a22 s SER 416 Ca -0.02 1.92 0.02 0.00 0.70 0.00 0.00 55.95 58.57 3a22 s SER 416 Cb -0.09 -2.58 0.01 0.00 -1.71 0.00 0.00 66.02 61.65 3a22 s SER 416 CO 0.02 -0.36 -0.17 -0.69 1.20 0.00 0.00 173.24 173.23 3a22 s VAL 417 N 0.82 1.63 0.68 4.45 1.01 0.09 -4.96 120.40 124.11 3a22 s VAL 417 Ca 0.55 -0.73 -0.16 0.00 0.00 0.00 0.00 61.98 61.63 3a22 s VAL 417 Cb -0.27 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.66 3a22 s VAL 417 CO 0.30 0.47 1.22 -2.84 0.00 0.00 0.00 175.10 174.24 3a22 s PRO 418 N 0.79 2.44 -0.01 2.72 0.02 -1.26 -1.56 135.00 138.15 3a22 s PRO 418 Ca -0.10 1.81 -0.37 0.00 0.02 0.00 0.00 61.00 62.36 3a22 s PRO 418 Cb -0.16 -1.86 -0.15 0.00 0.02 0.00 0.00 34.50 32.35 3a22 s PRO 418 CO 0.01 -1.61 1.55 0.00 -0.33 0.00 0.00 177.00 176.61 3a22 n ALA 419 N -2.29 -0.12 -0.75 -1.55 0.00 -1.25 -0.51 120.51 114.03 3a22 n ALA 419 Ca 0.14 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.02 3a22 n ALA 419 Cb 0.50 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.73 3a22 n ALA 419 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a22 n GLY 420 N 3.31 0.73 2.79 0.00 0.00 0.48 -4.96 105.19 107.54 3a22 n GLY 420 Ca 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 3a22 n GLY 420 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a22 n GLY 421 N -2.00 1.65 3.38 -0.02 0.00 0.33 -4.85 105.19 103.68 3a22 n GLY 421 Ca 0.00 -2.15 -0.13 0.00 0.00 0.00 0.00 46.02 43.74 3a22 n GLY 421 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a22 s SER 422 N -3.65 -0.42 -0.03 1.61 1.04 -1.26 -1.57 113.70 109.42 3a22 s SER 422 Ca 0.44 0.04 0.05 0.00 0.48 0.00 0.00 55.95 56.96 3a22 s SER 422 Cb -0.03 0.51 -0.01 0.00 0.10 0.00 0.00 66.02 66.59 3a22 s SER 422 CO 0.29 -0.80 -0.16 -0.69 0.98 0.00 0.00 173.24 172.85 3a22 s VAL 423 N -2.98 1.34 -0.22 5.02 1.01 0.06 -4.93 120.40 119.69 3a22 s VAL 423 Ca -0.02 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 3a22 s VAL 423 Cb -0.00 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.26 3a22 s VAL 423 CO -0.06 0.38 -0.08 -0.32 0.00 0.00 0.00 175.10 175.03 3a22 s MET 424 N -0.16 3.11 0.23 2.72 0.00 -1.26 -0.84 119.30 123.08 3a22 s MET 424 Ca 0.01 -0.79 0.07 0.00 0.00 0.00 0.00 55.69 54.99 3a22 s MET 424 Cb -0.09 -2.92 -0.05 0.00 0.00 0.00 0.00 34.83 31.77 3a22 s MET 424 CO 0.01 -0.27 -0.12 -0.51 0.00 0.00 0.00 175.02 174.12 3a22 s LEU 425 N 1.39 2.53 0.17 4.11 1.43 0.58 -1.15 118.68 127.74 3a22 s LEU 425 Ca 0.04 -1.07 0.10 0.00 -1.03 0.00 0.00 54.13 52.17 3a22 s LEU 425 Cb -0.15 -0.67 -0.04 0.00 0.03 0.00 0.00 46.19 45.36 3a22 s LEU 425 CO -0.06 -0.21 -0.20 0.42 0.23 0.00 0.00 176.35 176.53 3a22 s THR 426 N -2.98 2.63 -0.19 5.49 -4.23 -0.16 -0.79 115.64 115.41 3a22 s THR 426 Ca 0.25 -1.81 0.01 0.00 -1.18 0.00 0.00 61.69 58.95 3a22 s THR 426 Cb 0.00 -2.25 0.04 0.00 1.34 0.00 0.00 72.50 71.63 3a22 s THR 426 CO 0.08 -0.05 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.32 3a22 s VAL 427 N -1.51 1.59 0.22 2.29 1.01 0.52 -1.39 120.40 123.14 3a22 s VAL 427 Ca 0.20 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.25 3a22 s VAL 427 Cb -0.09 -1.67 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 3a22 s VAL 427 CO 0.11 0.17 0.02 0.42 0.00 0.00 0.00 175.10 175.82 3a22 s THR 428 N 1.42 0.86 -0.16 3.92 -4.23 -0.56 -0.16 115.64 116.73 3a22 s THR 428 Ca -0.01 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 3a22 s THR 428 Cb -0.16 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.33 3a22 s THR 428 CO -0.08 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.31 3a22 n GLY 429 N -0.39 0.45 3.79 3.99 0.00 -1.03 -1.03 105.19 110.98 3a22 n GLY 429 Ca -0.04 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 3a22 n GLY 429 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3a22 s GLY 430 N -2.19 1.66 -0.19 -0.02 0.00 -0.42 -4.59 107.32 101.57 3a22 s GLY 430 Ca 0.00 -0.94 -0.05 0.00 0.00 0.00 0.00 44.72 43.73 3a22 s GLY 430 CO 0.00 -0.20 -0.01 -1.59 0.00 0.00 0.00 173.10 171.30 3a22 s THR 431 N -3.47 3.94 0.44 0.90 2.01 -1.26 -4.29 115.64 113.90 3a22 s THR 431 Ca 0.70 -0.32 -0.24 0.00 0.31 0.00 0.00 61.69 62.14 3a22 s THR 431 Cb -0.08 -2.77 -0.08 0.00 0.01 0.00 0.00 72.50 69.58 3a22 s THR 431 CO 0.54 0.44 1.22 -1.61 -0.69 0.00 0.00 174.62 174.52 3a22 s GLU 432 N 0.86 3.83 0.77 4.92 0.41 -1.26 -0.63 118.70 127.59 3a22 s GLU 432 Ca 0.00 1.94 -0.15 0.00 -0.41 0.00 0.00 54.97 56.36 3a22 s GLU 432 Cb -0.14 -2.56 0.04 0.00 -1.78 0.00 0.00 34.13 29.69 3a22 s GLU 432 CO 0.02 -0.53 1.10 0.00 -0.49 0.00 0.00 175.26 175.35 3a22 n ALA 433 N -0.22 -0.09 -1.77 5.21 0.00 -0.51 -4.52 120.51 118.61 3a22 n ALA 433 Ca 0.06 -0.26 -0.41 0.00 0.00 0.00 0.00 53.44 52.83 3a22 n ALA 433 Cb 0.46 -2.19 -0.01 0.00 0.00 0.00 0.00 19.45 17.71 3a22 n ALA 433 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a22 s ALA 434 N -1.95 3.72 0.54 0.00 0.00 -1.26 -4.97 121.76 117.84 3a22 s ALA 434 Ca 0.74 1.55 0.03 0.00 0.00 0.00 0.00 51.96 54.28 3a22 s ALA 434 Cb -0.32 -3.64 0.04 0.00 0.00 0.00 0.00 23.12 19.21 3a22 s ALA 434 CO 0.50 -0.97 0.75 0.20 0.00 0.00 0.00 175.76 176.24 3a22 s GLY 435 N 0.42 1.84 0.04 0.00 0.00 -1.26 -4.77 107.32 103.58 3a22 s GLY 435 Ca 0.62 -1.52 -0.00 0.00 0.00 0.00 0.00 44.72 43.82 3a22 s GLY 435 CO 0.49 -1.21 0.16 -0.32 0.00 0.00 0.00 173.10 172.22 3a22 s GLY 436 N -4.46 2.13 -0.03 0.20 0.00 0.22 -4.93 107.32 100.44 3a22 s GLY 436 Ca 0.58 -0.86 0.07 0.00 0.00 0.00 0.00 44.72 44.51 3a22 s GLY 436 CO 0.38 -0.80 -0.23 0.00 0.00 0.00 0.00 173.10 172.45 3a22 s ALA 437 N -1.39 1.97 0.04 3.20 0.00 -1.26 -0.69 121.76 123.62 3a22 s ALA 437 Ca 0.30 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.29 3a22 s ALA 437 Cb -0.13 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 3a22 s ALA 437 CO 0.22 0.45 -0.10 0.71 0.00 0.00 0.00 175.76 177.05 3a22 s TYR 438 N -0.42 0.83 -0.03 0.00 1.51 -0.19 -5.01 117.35 114.05 3a22 s TYR 438 Ca 0.05 -0.38 0.02 0.00 -1.01 0.00 0.00 57.07 55.75 3a22 s TYR 438 Cb -0.10 -0.49 -0.03 0.00 -0.11 0.00 0.00 41.96 41.22 3a22 s TYR 438 CO 0.00 -0.02 -0.07 0.00 -1.11 0.00 0.00 175.55 174.35 3a22 s ALA 439 N -0.99 3.00 0.19 3.71 0.00 -1.26 -1.87 121.76 124.54 3a22 s ALA 439 Ca -0.04 -0.96 -0.33 0.00 0.00 0.00 0.00 51.96 50.63 3a22 s ALA 439 Cb -0.08 -1.18 -0.14 0.00 0.00 0.00 0.00 23.12 21.72 3a22 s ALA 439 CO 0.01 0.60 1.44 0.00 0.00 0.00 0.00 175.76 177.80 3a22 n ALA 440 N 1.85 0.79 0.36 0.00 0.00 -1.26 -4.77 120.51 117.48 3a22 n ALA 440 Ca -0.16 0.44 0.11 0.00 0.00 0.00 0.00 53.44 53.83 3a22 n ALA 440 Cb 0.53 -2.26 0.02 0.00 0.00 0.00 0.00 19.45 17.74 3a22 n ALA 440 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3a22 n THR 441 N 2.51 0.34 -4.08 0.00 -2.24 -0.26 -4.95 114.28 105.61 3a22 n THR 441 Ca 0.15 -0.38 -0.14 0.00 -2.27 0.00 0.00 64.05 61.41 3a22 n THR 441 Cb 0.28 -0.06 -0.04 0.00 -2.10 0.00 0.00 70.33 68.41 3a22 n THR 441 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3a22 s SER 442 N -4.53 0.79 -0.30 3.42 1.04 -1.19 -5.05 113.70 107.88 3a22 s SER 442 Ca 0.02 -1.43 -0.33 0.00 0.48 0.00 0.00 55.95 54.69 3a22 s SER 442 Cb 0.12 0.65 -0.09 0.00 0.10 0.00 0.00 66.02 66.80 3a22 s SER 442 CO 0.79 -1.27 2.20 0.41 0.98 0.00 0.00 173.24 176.35 3a22 n THR 443 N -0.54 0.24 -1.20 2.02 -1.04 -1.26 -1.61 114.28 110.89 3a22 n THR 443 Ca 0.01 -0.32 -0.07 0.00 -2.04 0.00 0.00 64.05 61.63 3a22 n THR 443 Cb 0.62 -1.94 -0.03 0.00 -1.82 0.00 0.00 70.33 67.16 3a22 n THR 443 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3a22 n GLY 444 N 6.27 0.89 3.00 3.41 0.00 -1.26 -4.88 105.19 112.62 3a22 n GLY 444 Ca 0.37 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 3a22 n GLY 444 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3a22 s ARG 445 N -2.29 2.09 -0.21 1.61 3.52 -0.64 0.39 118.95 123.42 3a22 s ARG 445 Ca 0.00 -0.49 -0.06 0.00 -0.13 0.00 0.00 55.73 55.05 3a22 s ARG 445 Cb 0.00 -1.91 -0.03 0.00 -1.56 0.00 0.00 34.95 31.45 3a22 s ARG 445 CO 0.00 -0.19 0.03 0.71 -0.81 0.00 0.00 175.30 175.04 3a22 s TYR 446 N 1.37 3.08 0.34 5.12 1.51 0.14 -1.10 117.35 127.80 3a22 s TYR 446 Ca 0.01 -0.37 0.07 0.00 -1.01 0.00 0.00 57.07 55.77 3a22 s TYR 446 Cb -0.13 -2.13 -0.07 0.00 -0.11 0.00 0.00 41.96 39.52 3a22 s TYR 446 CO -0.07 -0.22 -0.03 0.95 -1.11 0.00 0.00 175.55 175.07 3a22 s THR 447 N 1.08 1.80 -1.24 -0.71 -4.23 -1.26 -1.31 115.64 109.77 3a22 s THR 447 Ca 0.03 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 3a22 s THR 447 Cb -0.14 -2.69 0.00 0.00 1.34 0.00 0.00 72.50 71.00 3a22 s THR 447 CO 0.02 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.56 3a22 n GLY 448 N -0.75 0.59 3.72 3.99 0.00 -1.13 -4.96 105.19 106.65 3a22 n GLY 448 Ca -0.05 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 3a22 n GLY 448 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a22 s VAL 449 N -2.57 4.27 -0.08 1.61 1.01 -0.57 -4.77 120.40 119.30 3a22 s VAL 449 Ca 0.00 1.66 -0.01 0.00 0.00 0.00 0.00 61.98 63.64 3a22 s VAL 449 Cb 0.00 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 3a22 s VAL 449 CO 0.00 0.15 -0.04 -0.89 0.00 0.00 0.00 175.10 174.32 3a22 s THR 450 N 0.88 3.99 -0.05 3.92 2.01 -1.26 -2.71 115.64 122.41 3a22 s THR 450 Ca 0.55 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 62.20 3a22 s THR 450 Cb -0.27 -2.66 0.02 0.00 0.01 0.00 0.00 72.50 69.60 3a22 s THR 450 CO 0.29 0.60 -0.06 0.00 -0.69 0.00 0.00 174.62 174.76 3a22 s ALA 451 N -0.77 0.84 0.44 7.40 0.00 -0.16 -4.97 121.76 124.54 3a22 s ALA 451 Ca 0.12 -0.16 0.28 0.00 0.00 0.00 0.00 51.96 52.20 3a22 s ALA 451 Cb -0.11 -0.48 1.54 0.00 0.00 0.00 0.00 23.12 24.07 3a22 s ALA 451 CO 0.02 -0.00 2.11 0.00 0.00 0.00 0.00 175.76 177.89 3a22 h ALA 452 N 7.18 1.30 -2.64 0.00 0.00 -1.91 -1.33 119.26 121.86 3a22 h ALA 452 Ca -0.35 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.34 3a22 h ALA 452 Cb 1.16 -0.01 -0.19 0.00 0.00 0.00 0.00 17.79 18.74 3a22 h ALA 452 CO 0.47 0.12 -0.41 0.45 0.00 0.00 0.00 179.25 179.87 3a22 s SER 453 N -6.11 -0.01 0.30 0.00 0.15 -1.26 -4.81 113.70 101.95 3a22 s SER 453 Ca -0.03 -0.20 -0.30 0.00 0.70 0.00 0.00 55.95 56.12 3a22 s SER 453 Cb 0.13 0.25 -0.12 0.00 -1.71 0.00 0.00 66.02 64.58 3a22 s SER 453 CO 0.57 -0.45 1.55 0.41 1.20 0.00 0.00 173.24 176.53 3a22 n THR 454 N 1.15 1.19 -2.24 6.45 -1.04 -1.25 -4.20 114.28 114.34 3a22 n THR 454 Ca -0.21 -0.30 0.00 0.00 -2.04 0.00 0.00 64.05 61.50 3a22 n THR 454 Cb 0.57 -1.91 0.00 0.00 -1.82 0.00 0.00 70.33 67.17 3a22 n THR 454 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3a22 n GLY 455 N 1.88 -0.20 3.79 3.41 0.00 -0.47 -1.09 105.19 112.50 3a22 n GLY 455 Ca 0.08 -1.51 -0.39 0.00 0.00 0.00 0.00 46.02 44.20 3a22 n GLY 455 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3a22 s LEU 456 N 0.00 4.56 0.05 0.99 2.96 -1.26 -1.33 118.68 124.65 3a22 s LEU 456 Ca 0.00 1.45 0.02 0.00 -0.22 0.00 0.00 54.13 55.38 3a22 s LEU 456 Cb 0.00 -3.09 -0.03 0.00 0.50 0.00 0.00 46.19 43.57 3a22 s LEU 456 CO 0.00 0.24 -0.08 0.20 -1.32 0.00 0.00 176.35 175.39 3a22 s ASN 457 N -1.13 0.95 -0.23 3.68 0.01 0.11 -1.07 114.94 117.25 3a22 s ASN 457 Ca 0.32 -0.58 -0.12 0.00 -0.71 0.00 0.00 52.86 51.77 3a22 s ASN 457 Cb -0.21 0.03 -0.05 0.00 0.41 0.00 0.00 41.25 41.43 3a22 s ASN 457 CO 0.22 -0.20 0.23 -0.69 -1.51 0.00 0.00 177.10 175.15 3a22 s VAL 458 N -1.48 5.31 -0.21 1.60 1.01 0.86 -0.87 120.40 126.63 3a22 s VAL 458 Ca -0.08 0.32 -0.04 0.00 0.00 0.00 0.00 61.98 62.18 3a22 s VAL 458 Cb -0.09 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 3a22 s VAL 458 CO 0.00 0.31 -0.04 -0.69 0.00 0.00 0.00 175.10 174.69 3a22 s VAL 459 N 1.18 3.50 -0.28 2.92 1.01 0.22 -1.15 120.40 127.80 3a22 s VAL 459 Ca 0.10 -0.46 -0.12 0.00 0.00 0.00 0.00 61.98 61.51 3a22 s VAL 459 Cb -0.14 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 3a22 s VAL 459 CO 0.06 0.43 0.22 -1.81 0.00 0.00 0.00 175.10 174.00 3a22 s ASP 460 N 1.23 6.06 -0.27 3.32 1.01 -0.03 -0.93 116.67 127.06 3a22 s ASP 460 Ca 0.03 0.04 -0.09 0.00 0.71 0.00 0.00 52.55 53.23 3a22 s ASP 460 Cb -0.14 -2.13 -0.04 0.00 1.01 0.00 0.00 42.92 41.62 3a22 s ASP 460 CO -0.01 -0.07 0.14 -0.69 0.21 0.00 0.00 175.17 174.75 3a22 s VAL 461 N 1.79 4.82 0.15 -1.27 1.01 0.42 -1.20 120.40 126.12 3a22 s VAL 461 Ca 0.08 -0.03 -0.25 0.00 0.00 0.00 0.00 61.98 61.78 3a22 s VAL 461 Cb -0.16 -3.30 -0.08 0.00 0.00 0.00 0.00 36.38 32.85 3a22 s VAL 461 CO 0.11 0.27 0.75 0.00 0.00 0.00 0.00 175.10 176.23 3a22 s ALA 462 N 1.68 3.46 0.14 5.51 0.00 -0.15 -2.19 121.76 130.22 3a22 s ALA 462 Ca 0.07 0.32 -0.25 0.00 0.00 0.00 0.00 51.96 52.10 3a22 s ALA 462 Cb -0.16 -2.92 0.07 0.00 0.00 0.00 0.00 23.12 20.11 3a22 s ALA 462 CO 0.07 0.30 0.93 1.52 0.00 0.00 0.00 175.76 178.58 3a22 s TYR 463 N -1.12 -0.17 -0.06 0.00 1.13 -0.25 0.39 117.35 117.26 3a22 s TYR 463 Ca 0.35 -0.12 0.03 0.00 -1.41 0.00 0.00 57.07 55.92 3a22 s TYR 463 Cb -0.23 0.63 0.01 0.00 -1.10 0.00 0.00 41.96 41.27 3a22 s TYR 463 CO 0.25 -0.81 -0.14 0.99 -2.51 0.00 0.00 175.55 173.33 3a22 s THR 464 N -3.31 1.27 -0.45 -3.49 2.01 -1.26 -0.92 115.64 109.49 3a22 s THR 464 Ca 0.11 -0.59 0.03 0.00 0.31 0.00 0.00 61.69 61.55 3a22 s THR 464 Cb -0.02 -1.13 0.16 0.00 0.01 0.00 0.00 72.50 71.52 3a22 s THR 464 CO 0.01 0.38 0.32 0.21 -0.69 0.00 0.00 174.62 174.85 3a22 s ASN 465 N 0.42 2.67 -0.31 3.53 2.47 -1.26 -4.77 114.94 117.68 3a22 s ASN 465 Ca -0.11 -2.96 -0.04 0.00 0.42 0.00 0.00 52.86 50.16 3a22 s ASN 465 Cb -0.14 -0.74 -0.04 0.00 -1.45 0.00 0.00 41.25 38.88 3a22 s ASN 465 CO 0.04 -0.20 3.03 -3.20 -3.72 0.00 0.00 177.10 173.05 3a22 n ASN 466 N 3.04 6.09 -3.69 -4.21 5.15 -1.24 -0.92 115.26 119.47 3a22 n ASN 466 Ca 0.21 -2.98 -0.23 0.00 -0.60 0.00 0.00 54.58 50.98 3a22 n ASN 466 Cb 0.41 -1.29 -0.07 0.00 -0.53 0.00 0.00 39.78 38.31 3a22 n ASN 466 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3a22 n THR 467 N 1.38 0.00 1.39 -0.44 -2.24 -1.26 -4.95 114.28 108.16 3a22 n THR 467 Ca 0.47 -2.23 0.14 0.00 -2.27 0.00 0.00 64.05 60.15 3a22 n THR 467 Cb 0.67 0.81 0.44 0.00 -2.10 0.00 0.00 70.33 70.15 3a22 n THR 467 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3a22 n SER 468 N -1.57 1.69 -4.11 3.42 3.41 -1.26 -4.60 113.62 110.60 3a22 n SER 468 Ca -0.05 -1.52 -0.20 0.00 -0.26 0.00 0.00 58.87 56.84 3a22 n SER 468 Cb 0.57 0.02 -0.14 0.00 -0.26 0.00 0.00 64.21 64.40 3a22 n SER 468 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3a22 s SER 469 N -2.06 1.50 0.66 4.04 0.01 -1.26 -4.91 113.70 111.69 3a22 s SER 469 Ca 0.35 -0.35 -0.18 0.00 1.31 0.00 0.00 55.95 57.08 3a22 s SER 469 Cb 0.21 -0.12 -0.00 0.00 0.21 0.00 0.00 66.02 66.31 3a22 s SER 469 CO 0.35 0.08 1.28 0.00 0.41 0.00 0.00 173.24 175.36 3a22 s ALA 470 N -0.61 2.33 0.22 1.44 0.00 -1.26 -4.53 121.76 119.35 3a22 s ALA 470 Ca 0.02 1.17 0.11 0.00 0.00 0.00 0.00 51.96 53.27 3a22 s ALA 470 Cb -0.06 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.47 3a22 s ALA 470 CO 0.00 -1.66 -0.22 1.03 0.00 0.00 0.00 175.76 174.91 3a22 s ARG 471 N -3.46 1.55 0.17 0.00 0.52 -0.65 -4.92 118.95 112.17 3a22 s ARG 471 Ca 0.82 -1.60 0.10 0.00 -0.52 0.00 0.00 55.73 54.53 3a22 s ARG 471 Cb -0.36 -1.79 -0.04 0.00 0.52 0.00 0.00 34.95 33.28 3a22 s ARG 471 CO 0.41 0.37 -0.16 0.95 0.02 0.00 0.00 175.30 176.89 3a22 s THR 472 N -1.96 2.85 0.14 0.02 -4.23 -1.26 0.46 115.64 111.66 3a22 s THR 472 Ca 0.23 -1.76 0.02 0.00 -1.18 0.00 0.00 61.69 59.00 3a22 s THR 472 Cb -0.07 -2.38 -0.04 0.00 1.34 0.00 0.00 72.50 71.35 3a22 s THR 472 CO 0.11 -0.08 -0.04 0.00 -0.54 0.00 0.00 174.62 174.08 3a22 s ALA 473 N -1.60 1.21 -0.18 3.99 0.00 -0.20 -2.34 121.76 122.64 3a22 s ALA 473 Ca 0.22 -1.48 -0.14 0.00 0.00 0.00 0.00 51.96 50.56 3a22 s ALA 473 Cb -0.09 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 3a22 s ALA 473 CO 0.12 -0.26 0.31 0.99 0.00 0.00 0.00 175.76 176.92 3a22 s THR 474 N -3.61 5.28 -0.14 0.00 2.01 0.37 -1.12 115.64 118.42 3a22 s THR 474 Ca 0.18 0.56 -0.03 0.00 0.31 0.00 0.00 61.69 62.71 3a22 s THR 474 Cb 0.05 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 3a22 s THR 474 CO 0.00 0.35 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.00 3a22 s LEU 475 N 0.76 3.17 -0.10 4.42 2.96 1.00 -0.99 118.68 129.90 3a22 s LEU 475 Ca 0.16 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.95 3a22 s LEU 475 Cb -0.13 -1.75 0.02 0.00 0.50 0.00 0.00 46.19 44.82 3a22 s LEU 475 CO 0.05 0.19 -0.13 -1.58 -1.32 0.00 0.00 176.35 173.56 3a22 s GLN 476 N 0.22 1.94 -0.23 1.98 0.74 -0.07 -0.77 119.66 123.46 3a22 s GLN 476 Ca -0.03 -0.46 -0.13 0.00 0.05 0.00 0.00 55.36 54.79 3a22 s GLN 476 Cb -0.14 -1.70 -0.04 0.00 1.10 0.00 0.00 33.01 32.22 3a22 s GLN 476 CO 0.03 -0.09 0.27 0.08 -0.55 0.00 0.00 175.29 175.04 3a22 s VAL 477 N 1.06 5.28 0.00 1.34 1.01 -1.26 -1.05 120.40 126.78 3a22 s VAL 477 Ca -0.06 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.33 3a22 s VAL 477 Cb -0.15 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.63 3a22 s VAL 477 CO -0.02 0.29 0.00 0.59 0.00 0.00 0.00 175.10 175.96 3a22 n ASN 478 N 4.50 0.00 -1.97 3.32 3.02 -0.04 -0.77 115.26 123.32 3a22 n ASN 478 Ca -0.12 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.34 3a22 n ASN 478 Cb 0.52 0.00 0.26 0.00 -0.61 0.00 0.00 39.78 39.95 3a22 n ASN 478 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a22 n GLY 479 N 0.00 3.65 3.84 7.41 0.00 -1.26 -4.98 105.19 113.84 3a22 n GLY 479 Ca 0.00 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.80 3a22 n GLY 479 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3a22 s GLN 480 N -2.84 1.69 0.23 1.61 -0.21 0.05 -4.98 119.66 115.20 3a22 s GLN 480 Ca 0.51 0.27 -0.32 0.00 0.02 0.00 0.00 55.36 55.84 3a22 s GLN 480 Cb 0.41 -1.90 -0.13 0.00 1.00 0.00 0.00 33.01 32.39 3a22 s GLN 480 CO 0.12 -1.82 1.52 2.41 -2.12 0.00 0.00 175.29 175.40 3a22 n THR 481 N -3.50 0.64 -1.50 -0.19 -1.04 -1.26 -4.66 114.28 102.77 3a22 n THR 481 Ca 0.07 -0.16 -0.30 0.00 -2.04 0.00 0.00 64.05 61.62 3a22 n THR 481 Cb 0.59 -1.64 0.09 0.00 -1.82 0.00 0.00 70.33 67.56 3a22 n THR 481 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3a22 s ALA 482 N 0.30 2.23 0.13 2.41 0.00 -1.26 -4.72 121.76 120.86 3a22 s ALA 482 Ca 0.71 -0.12 -0.03 0.00 0.00 0.00 0.00 51.96 52.51 3a22 s ALA 482 Cb -0.61 -3.14 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 3a22 s ALA 482 CO 0.45 -1.72 0.11 -0.08 0.00 0.00 0.00 175.76 174.52 3a22 s THR 483 N -3.10 0.10 -0.10 0.00 -1.32 0.05 -4.88 115.64 106.39 3a22 s THR 483 Ca 0.61 -1.76 -0.03 0.00 -1.21 0.00 0.00 61.69 59.30 3a22 s THR 483 Cb -0.15 -1.96 -0.03 0.00 -1.51 0.00 0.00 72.50 68.85 3a22 s THR 483 CO 0.55 -0.45 0.02 -0.89 -2.21 0.00 0.00 174.62 171.64 3a22 s THR 484 N -4.02 4.43 -0.05 5.08 2.01 -1.26 -0.00 115.64 121.82 3a22 s THR 484 Ca 0.21 -0.20 0.06 0.00 0.31 0.00 0.00 61.69 62.07 3a22 s THR 484 Cb 0.06 -2.88 -0.01 0.00 0.01 0.00 0.00 72.50 69.68 3a22 s THR 484 CO 0.01 0.59 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.60 3a22 s VAL 485 N -0.72 1.93 -0.09 3.82 1.01 -0.28 -4.67 120.40 121.40 3a22 s VAL 485 Ca 0.12 -1.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 3a22 s VAL 485 Cb -0.12 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 3a22 s VAL 485 CO 0.02 0.54 0.09 -0.55 0.00 0.00 0.00 175.10 175.21 3a22 s SER 486 N -0.12 5.96 -0.34 3.32 0.15 -1.26 -1.04 113.70 120.36 3a22 s SER 486 Ca -0.04 0.33 0.03 0.00 0.70 0.00 0.00 55.95 56.97 3a22 s SER 486 Cb -0.13 -1.83 0.10 0.00 -1.71 0.00 0.00 66.02 62.45 3a22 s SER 486 CO 0.03 0.37 0.07 -0.36 1.20 0.00 0.00 173.24 174.56 3a22 s PHE 487 N -1.03 3.32 0.88 3.44 0.40 0.17 -4.88 117.98 120.28 3a22 s PHE 487 Ca 0.16 -2.77 -0.11 0.00 -0.60 0.00 0.00 56.93 53.62 3a22 s PHE 487 Cb -0.12 -2.68 0.12 0.00 0.51 0.00 0.00 43.02 40.85 3a22 s PHE 487 CO 0.06 -0.92 1.10 -2.14 0.70 0.00 0.00 175.22 174.01 3a22 s PRO 488 N 0.97 1.39 0.29 0.24 0.02 -1.26 -1.64 135.00 135.01 3a22 s PRO 488 Ca 0.11 1.05 -0.28 0.00 0.02 0.00 0.00 61.00 61.91 3a22 s PRO 488 Cb -0.19 -1.81 -0.14 0.00 0.02 0.00 0.00 34.50 32.38 3a22 s PRO 488 CO -0.11 -2.22 1.01 -2.30 -0.33 0.00 0.00 177.00 173.05 3a22 n PRO 489 N -3.90 1.35 -0.00 5.54 -0.02 -1.26 -4.69 135.00 132.02 3a22 n PRO 489 Ca 0.08 0.48 0.03 0.00 -2.02 0.00 0.00 63.50 62.07 3a22 n PRO 489 Cb 0.54 -1.85 -0.04 0.00 -0.02 0.00 0.00 33.50 32.13 3a22 n PRO 489 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3a22 n THR 490 N 0.21 0.00 -4.14 3.45 -2.24 -0.10 -4.95 114.28 106.51 3a22 n THR 490 Ca 0.09 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3a22 n THR 490 Cb 0.32 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 3a22 n THR 490 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a22 n GLY 491 N 1.51 -1.28 0.15 3.38 0.00 -1.25 -4.36 105.19 103.35 3a22 n GLY 491 Ca 0.00 -1.26 0.03 0.00 0.00 0.00 0.00 46.02 44.79 3a22 n GLY 491 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a22 h ALA 492 N -0.14 0.80 -2.51 4.61 0.00 -1.93 -3.30 119.26 116.80 3a22 h ALA 492 Ca 0.00 -0.45 -0.53 0.00 0.00 0.00 0.00 54.91 53.92 3a22 h ALA 492 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3a22 h ALA 492 CO 0.00 0.62 -0.15 -1.12 0.00 0.00 0.00 179.25 178.61 3a22 s SER 493 N -6.49 6.53 0.72 0.00 0.01 -1.26 -4.98 113.70 108.23 3a22 s SER 493 Ca 0.02 0.79 -0.14 0.00 1.31 0.00 0.00 55.95 57.93 3a22 s SER 493 Cb 0.10 -2.18 0.03 0.00 0.21 0.00 0.00 66.02 64.18 3a22 s SER 493 CO 0.73 -0.11 1.15 0.00 0.41 0.00 0.00 173.24 175.42 3a22 s ALA 494 N -1.91 2.23 0.32 1.44 0.00 -1.26 -4.80 121.76 117.78 3a22 s ALA 494 Ca 0.45 0.68 0.03 0.00 0.00 0.00 0.00 51.96 53.11 3a22 s ALA 494 Cb -0.11 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 3a22 s ALA 494 CO 0.25 -1.68 0.34 0.20 0.00 0.00 0.00 175.76 174.88 3a22 s GLY 495 N -2.40 1.91 0.14 0.00 0.00 -0.09 -4.29 107.32 102.59 3a22 s GLY 495 Ca 0.70 -1.82 0.11 0.00 0.00 0.00 0.00 44.72 43.71 3a22 s GLY 495 CO 0.45 -1.28 -0.26 -0.51 0.00 0.00 0.00 173.10 171.50 3a22 s THR 496 N -3.38 2.23 0.22 0.90 -4.23 -0.05 -1.10 115.64 110.24 3a22 s THR 496 Ca 0.37 -1.79 0.10 0.00 -1.18 0.00 0.00 61.69 59.19 3a22 s THR 496 Cb 0.02 -1.99 -0.04 0.00 1.34 0.00 0.00 72.50 71.83 3a22 s THR 496 CO 0.23 0.04 -0.12 0.68 -0.54 0.00 0.00 174.62 174.91 3a22 s VAL 497 N -1.18 2.96 0.08 2.29 -7.23 -0.93 -0.49 120.40 115.91 3a22 s VAL 497 Ca 0.15 -1.94 0.06 0.00 -1.81 0.00 0.00 61.98 58.44 3a22 s VAL 497 Cb -0.10 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 3a22 s VAL 497 CO 0.06 -0.24 -0.09 -0.44 -0.31 0.00 0.00 175.10 174.08 3a22 s SER 498 N -3.15 4.42 0.05 4.85 0.01 -1.26 -0.44 113.70 118.18 3a22 s SER 498 Ca 0.27 -0.34 0.02 0.00 1.31 0.00 0.00 55.95 57.21 3a22 s SER 498 Cb -0.07 -0.88 -0.03 0.00 0.21 0.00 0.00 66.02 65.25 3a22 s SER 498 CO 0.15 0.20 -0.07 0.68 0.41 0.00 0.00 173.24 174.61 3a22 s VAL 499 N -1.17 0.51 -0.13 3.43 -7.23 -0.10 -4.43 120.40 111.28 3a22 s VAL 499 Ca 0.20 -1.18 -0.12 0.00 -1.81 0.00 0.00 61.98 59.08 3a22 s VAL 499 Cb -0.11 -0.72 -0.05 0.00 0.56 0.00 0.00 36.38 36.06 3a22 s VAL 499 CO 0.12 -0.47 0.25 -1.61 -0.31 0.00 0.00 175.10 173.09 3a22 s GLU 500 N -1.88 3.99 0.10 4.82 2.02 -1.26 -0.61 118.70 125.87 3a22 s GLU 500 Ca -0.08 0.05 0.03 0.00 0.02 0.00 0.00 54.97 54.99 3a22 s GLU 500 Cb -0.08 -3.33 -0.04 0.00 0.10 0.00 0.00 34.13 30.78 3a22 s GLU 500 CO -0.01 0.46 -0.09 0.14 0.02 0.00 0.00 175.26 175.78 3a22 s VAL 501 N -0.17 0.89 -0.20 2.63 -7.23 -0.05 -4.16 120.40 112.12 3a22 s VAL 501 Ca 0.16 -1.67 -0.07 0.00 -1.81 0.00 0.00 61.98 58.58 3a22 s VAL 501 Cb -0.13 -1.39 -0.04 0.00 0.56 0.00 0.00 36.38 35.38 3a22 s VAL 501 CO 0.05 -0.60 0.07 -0.55 -0.31 0.00 0.00 175.10 173.75 3a22 s SER 502 N -2.52 5.52 0.21 4.85 0.15 -1.26 0.10 113.70 120.75 3a22 s SER 502 Ca 0.06 0.01 0.10 0.00 0.70 0.00 0.00 55.95 56.82 3a22 s SER 502 Cb -0.02 -1.96 -0.05 0.00 -1.71 0.00 0.00 66.02 62.29 3a22 s SER 502 CO -0.01 0.12 -0.20 -0.76 1.20 0.00 0.00 173.24 173.60 3a22 s LEU 503 N 0.69 2.50 0.17 3.45 1.43 -0.44 -4.57 118.68 121.91 3a22 s LEU 503 Ca 0.03 -0.93 -0.19 0.00 -1.03 0.00 0.00 54.13 52.01 3a22 s LEU 503 Cb -0.13 -0.98 -0.08 0.00 0.03 0.00 0.00 46.19 45.03 3a22 s LEU 503 CO 0.02 0.01 0.66 -0.44 0.23 0.00 0.00 176.35 176.83 3a22 s SER 504 N -3.00 7.04 0.16 2.29 0.01 -1.26 -1.37 113.70 117.57 3a22 s SER 504 Ca 0.22 1.34 -0.34 0.00 1.31 0.00 0.00 55.95 58.48 3a22 s SER 504 Cb -0.05 -2.39 -0.15 0.00 0.21 0.00 0.00 66.02 63.64 3a22 s SER 504 CO 0.10 0.11 1.31 1.17 0.41 0.00 0.00 173.24 176.34 3a22 n LYS 505 N 1.00 1.44 0.00 12.44 4.81 -1.26 -4.31 118.16 132.27 3a22 n LYS 505 Ca -0.05 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 57.91 3a22 n LYS 505 Cb 0.51 -2.12 0.00 0.00 0.02 0.00 0.00 35.03 33.44 3a22 n LYS 505 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3a22 n GLY 506 N 2.37 -0.35 0.43 3.14 0.00 -0.50 -4.82 105.19 105.46 3a22 n GLY 506 Ca 0.16 -2.21 0.07 0.00 0.00 0.00 0.00 46.02 44.04 3a22 n GLY 506 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a22 n SER 507 N 0.00 1.95 -1.10 1.61 3.41 -1.26 -0.99 113.62 117.25 3a22 n SER 507 Ca 0.00 -3.62 0.09 0.00 -0.26 0.00 0.00 58.87 55.08 3a22 n SER 507 Cb 0.00 -0.50 0.26 0.00 -0.26 0.00 0.00 64.21 63.71 3a22 n SER 507 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3a22 n ALA 508 N -1.23 2.38 -1.77 7.33 0.00 -1.25 -3.74 120.51 122.23 3a22 n ALA 508 Ca 0.18 -1.30 -0.38 0.00 0.00 0.00 0.00 53.44 51.94 3a22 n ALA 508 Cb 0.68 -0.74 -0.04 0.00 0.00 0.00 0.00 19.45 19.35 3a22 n ALA 508 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3a22 s ASN 509 N -1.02 6.88 0.00 0.00 0.01 -1.10 -4.77 114.94 114.94 3a22 s ASN 509 Ca 0.39 2.19 0.05 0.00 -0.71 0.00 0.00 52.86 54.79 3a22 s ASN 509 Cb 0.21 -2.61 -0.01 0.00 0.41 0.00 0.00 41.25 39.25 3a22 s ASN 509 CO 0.25 -0.42 -0.16 0.42 -1.51 0.00 0.00 177.10 175.69 3a22 s THR 510 N -1.43 1.25 -0.15 1.60 -4.23 -1.26 -1.52 115.64 109.89 3a22 s THR 510 Ca 0.53 -0.78 0.01 0.00 -1.18 0.00 0.00 61.69 60.27 3a22 s THR 510 Cb -0.27 -1.06 0.02 0.00 1.34 0.00 0.00 72.50 72.53 3a22 s THR 510 CO 0.35 0.27 -0.16 -0.76 -0.54 0.00 0.00 174.62 173.77 3a22 s LEU 511 N -0.58 1.84 -0.14 4.79 1.02 -0.43 -0.86 118.68 124.32 3a22 s LEU 511 Ca 0.05 -0.53 0.03 0.00 0.02 0.00 0.00 54.13 53.70 3a22 s LEU 511 Cb -0.07 -1.27 0.01 0.00 0.02 0.00 0.00 46.19 44.88 3a22 s LEU 511 CO -0.00 -0.02 -0.22 0.00 0.02 0.00 0.00 176.35 176.12 3a22 s ALA 512 N 1.34 2.24 -0.10 4.21 0.00 -0.22 -0.68 121.76 128.54 3a22 s ALA 512 Ca 0.03 -1.08 -0.04 0.00 0.00 0.00 0.00 51.96 50.87 3a22 s ALA 512 Cb -0.13 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.98 3a22 s ALA 512 CO -0.10 0.00 0.04 -0.51 0.00 0.00 0.00 175.76 175.19 3a22 s LEU 513 N 0.77 3.79 -0.07 0.00 1.43 0.16 -0.89 118.68 123.88 3a22 s LEU 513 Ca -0.08 0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.27 3a22 s LEU 513 Cb -0.16 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.17 3a22 s LEU 513 CO -0.01 0.36 -0.18 -0.44 0.23 0.00 0.00 176.35 176.31 3a22 s SER 514 N -0.77 2.36 0.05 2.29 0.01 -0.16 -4.66 113.70 112.81 3a22 s SER 514 Ca 0.12 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 56.98 3a22 s SER 514 Cb -0.12 -0.97 0.00 0.00 0.21 0.00 0.00 66.02 65.15 3a22 s SER 514 CO 0.03 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.40 3a22 n GLY 515 N 3.52 -1.64 4.97 3.44 0.00 -1.26 -0.48 105.19 113.73 3a22 n GLY 515 Ca -0.20 -1.47 0.01 0.00 0.00 0.00 0.00 46.02 44.36 3a22 n GLY 515 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a22 n GLY 516 N -1.98 -1.97 3.77 -0.02 0.00 -0.99 -4.52 105.19 99.48 3a22 n GLY 516 Ca -0.00 -1.38 -0.36 0.00 0.00 0.00 0.00 46.02 44.28 3a22 n GLY 516 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3a22 s PRO 517 N -0.38 3.41 0.26 1.61 0.04 -1.26 -4.96 135.00 133.72 3a22 s PRO 517 Ca 0.00 1.68 -0.30 0.00 0.04 0.00 0.00 61.00 62.42 3a22 s PRO 517 Cb 0.00 -2.09 -0.11 0.00 0.04 0.00 0.00 34.50 32.34 3a22 s PRO 517 CO 0.00 -0.82 1.55 0.00 0.04 0.00 0.00 177.00 177.77 3a22 s ALA 518 N -1.69 3.72 0.34 8.56 0.00 -1.26 -5.00 121.76 126.43 3a22 s ALA 518 Ca 0.71 1.48 0.04 0.00 0.00 0.00 0.00 51.96 54.19 3a22 s ALA 518 Cb -0.26 -3.62 -0.02 0.00 0.00 0.00 0.00 23.12 19.23 3a22 s ALA 518 CO 0.30 -0.89 0.51 0.95 0.00 0.00 0.00 175.76 176.62 3a22 s THR 519 N 0.15 4.46 -0.14 0.00 -4.23 -1.26 -4.26 115.64 110.35 3a22 s THR 519 Ca 0.63 -0.80 0.15 0.00 -1.18 0.00 0.00 61.69 60.49 3a22 s THR 519 Cb -0.46 -3.59 0.40 0.00 1.34 0.00 0.00 72.50 70.20 3a22 s THR 519 CO 0.44 -0.29 1.20 -0.62 -0.54 0.00 0.00 174.62 174.81 3a22 n GLU 520 N -1.72 1.11 0.00 3.99 1.02 0.16 -4.94 120.64 120.26 3a22 n GLU 520 Ca -0.02 -2.86 0.00 0.00 -0.02 0.00 0.00 57.16 54.26 3a22 n GLU 520 Cb 0.57 -1.15 0.00 0.00 -0.02 0.00 0.00 31.44 30.84 3a22 n GLU 520 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3a22 n GLY 521 N -0.68 3.53 3.18 0.62 0.00 -1.26 -4.84 105.19 105.75 3a22 n GLY 521 Ca 0.15 -1.79 -0.18 0.00 0.00 0.00 0.00 46.02 44.20 3a22 n GLY 521 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3a22 s ILE 522 N -2.47 1.13 -0.05 -0.61 -4.36 -0.78 -0.97 121.20 113.09 3a22 s ILE 522 Ca 0.00 -1.41 0.05 0.00 -0.26 0.00 0.00 60.65 59.03 3a22 s ILE 522 Cb 0.00 -1.18 -0.02 0.00 1.25 0.00 0.00 42.46 42.51 3a22 s ILE 522 CO 0.00 -0.29 -0.20 -0.89 0.24 0.00 0.00 174.94 173.80 3a22 s THR 523 N -1.54 2.59 -0.09 8.37 2.01 -0.34 -1.02 115.64 125.61 3a22 s THR 523 Ca 0.01 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.12 3a22 s THR 523 Cb -0.08 -1.98 0.02 0.00 0.01 0.00 0.00 72.50 70.47 3a22 s THR 523 CO 0.02 0.58 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.75 3a22 s VAL 524 N -0.52 1.03 -0.02 3.82 1.01 0.13 -0.85 120.40 124.99 3a22 s VAL 524 Ca 0.07 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.75 3a22 s VAL 524 Cb -0.11 -1.01 -0.00 0.00 0.00 0.00 0.00 36.38 35.25 3a22 s VAL 524 CO 0.01 0.36 -0.12 -0.13 0.00 0.00 0.00 175.10 175.22 3a22 s ARG 525 N 1.33 1.11 0.51 2.72 0.52 -0.30 -0.61 118.95 124.24 3a22 s ARG 525 Ca -0.02 -0.41 -0.10 0.00 -0.52 0.00 0.00 55.73 54.68 3a22 s ARG 525 Cb -0.14 -1.03 -0.05 0.00 0.52 0.00 0.00 34.95 34.25 3a22 s ARG 525 CO -0.04 0.20 0.89 -1.25 0.02 0.00 0.00 175.30 175.12 3a22 s PRO 526 N -0.03 3.68 -0.55 3.54 0.04 -1.26 -0.10 135.00 140.31 3a22 s PRO 526 Ca 0.00 0.55 -0.01 0.00 0.04 0.00 0.00 61.00 61.58 3a22 s PRO 526 Cb -0.07 -2.25 0.14 0.00 0.04 0.00 0.00 34.50 32.36 3a22 s PRO 526 CO 0.00 -0.29 0.34 -0.51 0.04 0.00 0.00 177.00 176.59 3a22 s LEU 527 N -4.57 5.08 0.57 -3.56 1.43 -0.24 -4.53 118.68 112.86 3a22 s LEU 527 Ca 0.52 -2.67 0.27 0.00 -1.03 0.00 0.00 54.13 51.22 3a22 s LEU 527 Cb -0.10 -1.81 1.66 0.00 0.03 0.00 0.00 46.19 45.97 3a22 s LEU 527 CO 0.43 -0.39 2.21 -0.65 0.23 0.00 0.00 176.35 178.18 3a22 h PRO 528 N 7.19 0.00 0.00 1.29 0.11 -1.73 -0.70 132.00 138.17 3a22 h PRO 528 Ca -0.05 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 3a22 h PRO 528 Cb 0.97 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 3a22 h PRO 528 CO 0.70 0.02 -0.01 0.78 -0.21 0.00 0.00 178.00 179.28 3a22 h GLY 529 N 0.12 0.00 -0.99 -0.55 0.00 -1.34 -0.80 103.07 99.51 3a22 h GLY 529 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3a22 h GLY 529 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 3a22 n THR 530 N -3.51 0.03 -1.59 4.70 -2.24 -0.27 -4.52 114.28 106.88 3a22 n THR 530 Ca -0.03 -0.35 -0.47 0.00 -2.27 0.00 0.00 64.05 60.93 3a22 n THR 530 Cb 0.09 0.80 -0.03 0.00 -2.10 0.00 0.00 70.33 69.08 3a22 n THR 530 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3a22 n ASN 531 N 0.58 1.50 -0.20 3.42 4.13 -0.31 -4.34 115.26 120.03 3a22 n ASN 531 Ca 0.17 1.15 0.00 0.00 1.68 0.00 0.00 54.58 57.58 3a22 n ASN 531 Cb 0.43 -1.26 0.00 0.00 -1.54 0.00 0.00 39.78 37.42 3a22 n ASN 531 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3a22 n GLY 532 N 1.85 4.55 3.17 7.41 0.00 -0.25 -4.64 105.19 117.29 3a22 n GLY 532 Ca 0.13 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.68 3a22 n GLY 532 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a22 s ALA 533 N -1.82 -0.65 0.31 4.61 0.00 0.83 -3.76 121.76 121.28 3a22 s ALA 533 Ca 0.00 0.51 -0.29 0.00 0.00 0.00 0.00 51.96 52.18 3a22 s ALA 533 Cb 0.00 -0.22 -0.10 0.00 0.00 0.00 0.00 23.12 22.80 3a22 s ALA 533 CO 0.00 -0.18 1.28 -0.51 0.00 0.00 0.00 175.76 176.35 3a22 s LEU 534 N -0.49 4.45 -0.51 0.00 1.43 -1.26 -0.89 118.68 121.41 3a22 s LEU 534 Ca -0.06 2.60 -0.12 0.00 -1.03 0.00 0.00 54.13 55.52 3a22 s LEU 534 Cb -0.04 -3.64 0.13 0.00 0.03 0.00 0.00 46.19 42.67 3a22 s LEU 534 CO 0.02 -0.47 0.42 -0.69 0.23 0.00 0.00 176.35 175.85 3a22 s VAL 535 N -1.02 4.66 -0.20 -1.59 1.01 -1.26 -4.21 120.40 117.78 3a22 s VAL 535 Ca 0.49 -1.68 -0.07 0.00 0.00 0.00 0.00 61.98 60.72 3a22 s VAL 535 Cb -0.38 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 3a22 s VAL 535 CO 0.50 -0.82 0.06 -0.89 0.00 0.00 0.00 175.10 173.94 3a22 s THR 536 N 1.44 4.56 0.13 3.92 2.01 -0.44 -0.74 115.64 126.52 3a22 s THR 536 Ca 0.05 -0.11 -0.30 0.00 0.31 0.00 0.00 61.69 61.64 3a22 s THR 536 Cb -0.28 -3.08 -0.07 0.00 0.01 0.00 0.00 72.50 69.08 3a22 s THR 536 CO 0.01 0.42 1.26 -0.83 -0.69 0.00 0.00 174.62 174.78 3a22 s GLY 537 N 0.80 2.39 0.08 4.40 0.00 0.37 -1.18 107.32 114.18 3a22 s GLY 537 Ca 0.03 0.97 -0.25 0.00 0.00 0.00 0.00 44.72 45.47 3a22 s GLY 537 CO 0.02 2.06 1.68 1.70 0.00 0.00 0.00 173.10 178.57 3a22 h LYS 538 N 6.18 -0.20 -0.48 2.90 3.64 -0.88 -0.14 116.57 127.59 3a22 h LYS 538 Ca -0.43 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 58.92 3a22 h LYS 538 Cb 1.21 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.06 3a22 h LYS 538 CO 0.80 -0.11 0.13 0.37 -2.27 0.00 0.00 179.45 178.37 3a22 h GLN 539 N -0.24 0.76 0.00 1.90 4.15 -1.74 -3.32 115.11 116.63 3a22 h GLN 539 Ca -0.02 -0.18 -0.23 0.00 0.77 0.00 0.00 58.65 59.00 3a22 h GLN 539 Cb 0.18 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.73 3a22 h GLN 539 CO 0.04 0.73 -1.63 -1.13 -1.93 0.00 0.00 178.83 174.91 3a22 n SER 540 N -4.49 0.77 -0.19 -0.69 3.41 -1.22 -4.95 113.62 106.26 3a22 n SER 540 Ca 0.01 0.35 -0.02 0.00 -0.26 0.00 0.00 58.87 58.95 3a22 n SER 540 Cb 0.21 0.20 -0.01 0.00 -0.26 0.00 0.00 64.21 64.35 3a22 n SER 540 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a22 n GLY 541 N 1.48 0.46 3.95 5.00 0.00 -0.07 -5.01 105.19 111.01 3a22 n GLY 541 Ca -0.14 -0.12 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 3a22 n GLY 541 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a22 s ARG 542 N -1.45 2.90 0.01 1.61 0.52 -1.26 -4.67 118.95 116.62 3a22 s ARG 542 Ca 0.00 -1.19 0.03 0.00 -0.52 0.00 0.00 55.73 54.05 3a22 s ARG 542 Cb 0.00 -2.68 -0.03 0.00 0.52 0.00 0.00 34.95 32.75 3a22 s ARG 542 CO 0.00 -0.04 -0.06 0.00 0.02 0.00 0.00 175.30 175.22 3a22 s ALA 544 N -1.03 3.74 -0.04 0.00 0.00 0.08 -0.84 121.76 123.67 3a22 s ALA 544 Ca 0.18 1.35 -0.03 0.00 0.00 0.00 0.00 51.96 53.46 3a22 s ALA 544 Cb -0.11 -3.72 0.01 0.00 0.00 0.00 0.00 23.12 19.30 3a22 s ALA 544 CO 0.09 -1.13 0.10 0.34 0.00 0.00 0.00 175.76 175.15 3a22 s ASP 545 N 2.41 -0.09 -0.25 0.00 -1.08 0.04 -4.48 116.67 113.22 3a22 s ASP 545 Ca 0.77 0.19 -0.07 0.00 -0.52 0.00 0.00 52.55 52.92 3a22 s ASP 545 Cb -0.43 0.18 -0.02 0.00 -1.46 0.00 0.00 42.92 41.18 3a22 s ASP 545 CO 0.34 -0.05 0.07 -0.63 0.52 0.00 0.00 175.17 175.42 3a22 s ILE 546 N 0.24 4.24 -0.13 4.11 -1.09 -0.79 -1.47 121.20 126.30 3a22 s ILE 546 Ca -0.02 -0.23 -0.38 0.00 -2.23 0.00 0.00 60.65 57.79 3a22 s ILE 546 Cb -0.03 -3.00 -0.15 0.00 -1.58 0.00 0.00 42.46 37.71 3a22 s ILE 546 CO -0.01 0.32 1.70 0.00 -1.23 0.00 0.00 174.94 175.72 3a22 n TYR 547 N 4.92 2.05 -2.61 3.97 9.36 -1.26 -2.97 117.16 130.61 3a22 n TYR 547 Ca -0.16 0.39 -0.19 0.00 3.32 0.00 0.00 57.90 61.25 3a22 n TYR 547 Cb 0.51 -2.50 0.00 0.00 -0.63 0.00 0.00 39.34 36.72 3a22 n TYR 547 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3a22 n ASN 548 N 5.07 -5.39 -1.91 2.98 5.15 -1.26 -1.87 115.26 118.03 3a22 n ASN 548 Ca 0.23 -0.05 -0.16 0.00 -0.60 0.00 0.00 54.58 54.00 3a22 n ASN 548 Cb 0.19 -4.47 -0.00 0.00 -0.53 0.00 0.00 39.78 34.98 3a22 n ASN 548 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3a22 n ASN 549 N -2.10 -4.84 -4.76 1.20 3.02 -1.16 -4.97 115.26 101.65 3a22 n ASN 549 Ca -0.18 -0.04 -0.41 0.00 -0.03 0.00 0.00 54.58 53.92 3a22 n ASN 549 Cb 0.65 -3.92 -0.03 0.00 -0.61 0.00 0.00 39.78 35.87 3a22 n ASN 549 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3a22 s THR 550 N -2.84 3.15 -0.84 3.41 2.01 -0.78 -4.97 115.64 114.79 3a22 s THR 550 Ca 0.03 1.13 0.09 0.00 0.31 0.00 0.00 61.69 63.25 3a22 s THR 550 Cb -0.01 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.78 3a22 s THR 550 CO 0.04 0.26 0.61 2.30 -0.69 0.00 0.00 174.62 177.14 3a22 n ILE 551 N 1.17 0.00 -1.79 1.82 -5.35 -1.26 -4.85 119.36 109.09 3a22 n ILE 551 Ca -0.00 -0.42 -0.42 0.00 -0.27 0.00 0.00 62.75 61.64 3a22 n ILE 551 Cb 0.43 1.11 -0.03 0.00 -1.74 0.00 0.00 39.64 39.42 3a22 n ILE 551 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3a22 s THR 552 N -1.16 2.47 0.05 7.28 2.01 -1.26 -4.92 115.64 120.12 3a22 s THR 552 Ca 0.08 0.18 -0.38 0.00 0.31 0.00 0.00 61.69 61.88 3a22 s THR 552 Cb 0.07 -3.12 -0.18 0.00 0.01 0.00 0.00 72.50 69.28 3a22 s THR 552 CO 0.20 0.01 1.16 0.59 -0.69 0.00 0.00 174.62 175.89 3a22 n ASN 553 N 4.82 0.67 0.00 3.53 3.02 -1.26 -2.27 115.26 123.77 3a22 n ASN 553 Ca 0.16 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.85 3a22 n ASN 553 Cb 0.38 -1.05 0.00 0.00 -0.61 0.00 0.00 39.78 38.50 3a22 n ASN 553 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a22 n GLY 554 N 1.95 0.71 3.70 7.41 0.00 0.31 -5.02 105.19 114.25 3a22 n GLY 554 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3a22 n GLY 554 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a22 s THR 555 N -2.47 3.09 0.08 2.61 2.01 -0.96 -4.79 115.64 115.21 3a22 s THR 555 Ca 0.00 0.67 -0.26 0.00 0.31 0.00 0.00 61.69 62.41 3a22 s THR 555 Cb 0.00 -3.43 -0.06 0.00 0.01 0.00 0.00 72.50 69.02 3a22 s THR 555 CO 0.00 0.03 0.82 -1.58 -0.69 0.00 0.00 174.62 173.19 3a22 s GLN 556 N 1.84 4.56 0.45 4.92 0.74 -1.26 -1.67 119.66 129.23 3a22 s GLN 556 Ca 0.69 1.18 -0.25 0.00 0.05 0.00 0.00 55.36 57.03 3a22 s GLN 556 Cb -0.39 -3.35 -0.08 0.00 1.10 0.00 0.00 33.01 30.29 3a22 s GLN 556 CO 0.31 0.32 1.35 0.00 -0.55 0.00 0.00 175.29 176.71 3a22 s ALA 557 N -0.23 3.17 0.14 1.58 0.00 -0.26 -4.68 121.76 121.46 3a22 s ALA 557 Ca 0.40 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.68 3a22 s ALA 557 Cb -0.22 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 3a22 s ALA 557 CO 0.25 -1.04 0.02 -1.21 0.00 0.00 0.00 175.76 173.78 3a22 s GLU 558 N -2.45 0.96 0.31 0.00 2.02 -0.54 -1.31 118.70 117.68 3a22 s GLU 558 Ca 0.61 -1.45 -0.28 0.00 0.02 0.00 0.00 54.97 53.88 3a22 s GLU 558 Cb -0.40 0.02 -0.09 0.00 0.10 0.00 0.00 34.13 33.75 3a22 s GLU 558 CO 0.51 -0.18 1.07 -0.51 0.02 0.00 0.00 175.26 176.16 3a22 s LEU 559 N -3.08 4.43 0.01 1.80 1.43 0.32 -0.78 118.68 122.82 3a22 s LEU 559 Ca 0.21 2.16 -0.14 0.00 -1.03 0.00 0.00 54.13 55.34 3a22 s LEU 559 Cb 0.07 -3.80 0.02 0.00 0.03 0.00 0.00 46.19 42.50 3a22 s LEU 559 CO 0.01 -0.22 0.29 0.86 0.23 0.00 0.00 176.35 177.52 3a22 s TRP 560 N -1.32 -0.13 0.00 0.29 -0.11 -0.02 -1.01 118.94 116.64 3a22 s TRP 560 Ca 0.48 0.09 -0.39 0.00 1.22 0.00 0.00 56.10 57.51 3a22 s TRP 560 Cb -0.28 0.08 -0.18 0.00 -1.50 0.00 0.00 33.47 31.59 3a22 s TRP 560 CO 0.36 -0.44 1.27 -0.25 -4.62 0.00 0.00 176.95 173.26 3a22 n ASP 561 N 0.94 0.99 -4.73 5.86 8.00 -1.26 -0.28 116.55 126.08 3a22 n ASP 561 Ca -0.20 1.14 -0.42 0.00 0.71 0.00 0.00 54.79 56.02 3a22 n ASP 561 Cb 0.58 -1.06 -0.03 0.00 -0.02 0.00 0.00 41.12 40.59 3a22 n ASP 561 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a22 n ASN 563 N 3.34 0.01 -0.01 0.00 0.23 -1.26 -4.81 115.26 112.77 3a22 n ASN 563 Ca 0.09 -0.20 -0.00 0.00 -0.53 0.00 0.00 54.58 53.94 3a22 n ASN 563 Cb 0.42 0.06 -0.00 0.00 -2.08 0.00 0.00 39.78 38.18 3a22 n ASN 563 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3a22 n GLY 564 N 0.06 0.48 3.67 4.83 0.00 -1.26 -4.51 105.19 108.46 3a22 n GLY 564 Ca 0.00 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 3a22 n GLY 564 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3a22 s GLY 565 N -2.18 1.60 0.56 -0.02 0.00 -1.26 -3.66 107.32 102.36 3a22 s GLY 565 Ca 0.00 -0.10 0.26 0.00 0.00 0.00 0.00 44.72 44.87 3a22 s GLY 565 CO 0.00 0.45 2.08 -2.55 0.00 0.00 0.00 173.10 173.08 3a22 h PRO 566 N -1.82 0.00 0.00 2.90 0.11 -1.95 -1.25 132.00 129.99 3a22 h PRO 566 Ca -0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3a22 h PRO 566 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3a22 h PRO 566 CO 0.54 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.60 3a22 n ASN 567 N -4.09 0.00 0.00 -2.05 6.94 -1.26 -3.12 115.26 111.68 3a22 n ASN 567 Ca 0.03 -1.37 0.00 0.00 -0.02 0.00 0.00 54.58 53.23 3a22 n ASN 567 Cb 0.36 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.78 3a22 n ASN 567 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3a22 n GLN 568 N -0.76 0.02 -3.32 -3.83 6.02 -0.49 -1.89 117.38 113.13 3a22 n GLN 568 Ca 0.11 -0.22 -0.45 0.00 -0.01 0.00 0.00 57.00 56.44 3a22 n GLN 568 Cb 0.05 -0.68 -0.06 0.00 1.02 0.00 0.00 30.24 30.57 3a22 n GLN 568 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3a22 s SER 569 N -0.06 6.18 -0.23 1.08 0.15 -1.12 -4.11 113.70 115.59 3a22 s SER 569 Ca 0.00 -1.59 -0.12 0.00 0.70 0.00 0.00 55.95 54.94 3a22 s SER 569 Cb 0.00 -2.21 -0.05 0.00 -1.71 0.00 0.00 66.02 62.05 3a22 s SER 569 CO 0.00 -0.81 0.23 0.26 1.20 0.00 0.00 173.24 174.12 3a22 s TRP 570 N 1.72 3.33 -0.30 3.44 0.52 -0.07 -4.53 118.94 123.06 3a22 s TRP 570 Ca 0.04 0.34 -0.12 0.00 0.02 0.00 0.00 56.10 56.38 3a22 s TRP 570 Cb -0.27 -2.34 -0.04 0.00 -1.15 0.00 0.00 33.47 29.66 3a22 s TRP 570 CO 0.05 0.04 0.21 0.99 0.02 0.00 0.00 176.95 178.26 3a22 s THR 571 N 1.13 5.30 -0.21 2.01 2.01 -0.44 -0.12 115.64 125.32 3a22 s THR 571 Ca 0.11 0.09 -0.21 0.00 0.31 0.00 0.00 61.69 61.98 3a22 s THR 571 Cb -0.14 -3.58 -0.02 0.00 0.01 0.00 0.00 72.50 68.77 3a22 s THR 571 CO 0.05 0.18 0.64 -0.47 -0.69 0.00 0.00 174.62 174.34 3a22 s TYR 572 N 1.76 3.35 0.41 4.92 5.04 -1.26 -0.72 117.35 130.86 3a22 s TYR 572 Ca 0.07 0.92 0.08 0.00 -2.44 0.00 0.00 57.07 55.70 3a22 s TYR 572 Cb -0.16 -2.83 0.01 0.00 0.35 0.00 0.00 41.96 39.33 3a22 s TYR 572 CO 0.11 -0.23 0.55 0.95 -1.34 0.00 0.00 175.55 175.59 3a22 s THR 573 N 2.11 3.09 -0.32 4.34 -4.23 -0.43 -4.95 115.64 115.25 3a22 s THR 573 Ca 0.29 -1.01 0.21 0.00 -1.18 0.00 0.00 61.69 59.99 3a22 s THR 573 Cb -0.16 -3.04 0.21 0.00 1.34 0.00 0.00 72.50 70.86 3a22 s THR 573 CO 0.10 -0.02 1.64 -1.54 -0.54 0.00 0.00 174.62 174.26 3a22 n SER 574 N -1.82 0.56 -1.29 3.99 3.41 -1.26 -0.90 113.62 116.31 3a22 n SER 574 Ca 0.07 0.72 0.11 0.00 -0.26 0.00 0.00 58.87 59.51 3a22 n SER 574 Cb 0.59 -0.81 0.31 0.00 -0.26 0.00 0.00 64.21 64.04 3a22 n SER 574 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3a22 n ARG 575 N -2.21 2.70 -1.58 4.33 1.74 -1.26 -4.94 116.66 115.44 3a22 n ARG 575 Ca -0.00 -2.49 -0.13 0.00 -0.77 0.00 0.00 57.85 54.46 3a22 n ARG 575 Cb 0.08 -1.57 -0.04 0.00 -1.02 0.00 0.00 32.46 29.91 3a22 n ARG 575 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3a22 n LYS 576 N 1.46 -0.94 -2.93 5.56 5.02 -0.08 -4.81 118.16 121.43 3a22 n LYS 576 Ca 0.23 0.88 -0.32 0.00 -2.02 0.00 0.00 58.31 57.08 3a22 n LYS 576 Cb 0.61 -4.98 -0.06 0.00 -0.02 0.00 0.00 35.03 30.59 3a22 n LYS 576 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3a22 s GLU 577 N -3.47 4.02 -0.34 1.97 2.02 -1.26 -0.17 118.70 121.47 3a22 s GLU 577 Ca 0.00 0.78 -0.02 0.00 0.02 0.00 0.00 54.97 55.75 3a22 s GLU 577 Cb 0.00 -2.33 0.07 0.00 0.10 0.00 0.00 34.13 31.98 3a22 s GLU 577 CO 0.00 0.03 0.08 -0.51 0.02 0.00 0.00 175.26 174.88 3a22 s LEU 578 N -3.29 4.47 -0.15 1.80 1.43 -1.26 -1.32 118.68 120.36 3a22 s LEU 578 Ca 0.56 -1.59 -0.05 0.00 -1.03 0.00 0.00 54.13 52.03 3a22 s LEU 578 Cb -0.10 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 3a22 s LEU 578 CO 0.20 -0.37 0.00 -0.69 0.23 0.00 0.00 176.35 175.72 3a22 s VAL 579 N 1.20 4.26 -0.00 -1.59 1.01 0.11 -0.89 120.40 124.50 3a22 s VAL 579 Ca 0.01 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 61.81 3a22 s VAL 579 Cb -0.21 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 3a22 s VAL 579 CO -0.02 0.50 -0.16 -0.22 0.00 0.00 0.00 175.10 175.20 3a22 s LEU 580 N 0.18 2.67 -0.90 3.92 2.96 0.11 -1.32 118.68 126.30 3a22 s LEU 580 Ca 0.01 -0.31 0.00 0.00 -0.22 0.00 0.00 54.13 53.61 3a22 s LEU 580 Cb -0.13 -1.55 0.00 0.00 0.50 0.00 0.00 46.19 45.01 3a22 s LEU 580 CO 0.02 0.30 0.00 -1.22 -1.32 0.00 0.00 176.35 174.13 3a22 n TYR 581 N 1.93 0.00 -0.55 5.38 4.01 -1.26 -1.03 117.16 125.64 3a22 n TYR 581 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 3a22 n TYR 581 Cb 0.52 -2.28 0.00 0.00 -0.31 0.00 0.00 39.34 37.27 3a22 n TYR 581 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3a22 n GLY 582 N -0.29 1.52 0.19 2.72 0.00 -1.26 -4.77 105.19 103.30 3a22 n GLY 582 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3a22 n GLY 582 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3a22 n ASN 583 N 0.00 0.00 -4.06 1.61 0.23 -0.77 -5.04 115.26 107.23 3a22 n ASN 583 Ca 0.00 -1.11 -0.25 0.00 -0.53 0.00 0.00 54.58 52.70 3a22 n ASN 583 Cb 0.00 -0.02 -0.16 0.00 -2.08 0.00 0.00 39.78 37.52 3a22 n ASN 583 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3a22 s LYS 584 N 0.00 1.67 -0.16 -3.83 -0.14 -0.20 -4.28 119.74 112.81 3a22 s LYS 584 Ca 0.00 -0.47 -0.06 0.00 -1.36 0.00 0.00 55.97 54.08 3a22 s LYS 584 Cb 0.00 -1.41 -0.04 0.00 -1.68 0.00 0.00 37.83 34.70 3a22 s LYS 584 CO 0.00 0.11 0.06 0.00 -0.76 0.00 0.00 175.35 174.76 3a22 n LEU 586 N 3.09 4.09 -3.72 0.00 7.94 -0.07 -1.48 117.00 126.85 3a22 n LEU 586 Ca -0.17 1.08 -0.13 0.00 -1.11 0.00 0.00 56.01 55.68 3a22 n LEU 586 Cb 0.53 -1.58 -0.13 0.00 0.53 0.00 0.00 43.42 42.77 3a22 n LEU 586 CO 0.33 0.17 -0.14 -0.62 -1.11 0.00 0.00 177.39 176.03 3a22 s ASP 587 N 1.00 -0.11 -0.48 1.96 -1.08 0.44 -4.44 116.67 113.96 3a22 s ASP 587 Ca 0.72 0.51 -0.29 0.00 -0.52 0.00 0.00 52.55 52.97 3a22 s ASP 587 Cb -0.50 0.43 0.03 0.00 -1.46 0.00 0.00 42.92 41.41 3a22 s ASP 587 CO 0.36 -0.18 1.12 0.00 0.52 0.00 0.00 175.17 177.00 3a22 s ALA 588 N 1.48 3.15 -0.07 3.66 0.00 -0.64 -0.44 121.76 128.89 3a22 s ALA 588 Ca -0.07 -0.51 -0.36 0.00 0.00 0.00 0.00 51.96 51.02 3a22 s ALA 588 Cb -0.11 -3.88 -0.14 0.00 0.00 0.00 0.00 23.12 18.99 3a22 s ALA 588 CO -0.08 -2.26 1.73 0.98 0.00 0.00 0.00 175.76 176.13 3a22 n TYR 589 N 7.82 2.16 -2.43 0.00 9.36 0.01 -1.53 117.16 132.55 3a22 n TYR 589 Ca 0.12 0.25 -0.19 0.00 3.32 0.00 0.00 57.90 61.39 3a22 n TYR 589 Cb 0.49 -2.56 -0.01 0.00 -0.63 0.00 0.00 39.34 36.64 3a22 n TYR 589 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3a22 n ASN 590 N 5.30 -5.51 -2.67 2.98 5.15 -1.26 -1.93 115.26 117.31 3a22 n ASN 590 Ca 0.22 0.02 -0.21 0.00 -0.60 0.00 0.00 54.58 54.01 3a22 n ASN 590 Cb 0.24 -4.60 0.02 0.00 -0.53 0.00 0.00 39.78 34.91 3a22 n ASN 590 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3a22 n LEU 591 N -3.01 -2.37 -4.75 1.20 4.32 -0.58 -4.94 117.00 106.86 3a22 n LEU 591 Ca -0.22 -0.18 -0.41 0.00 -0.02 0.00 0.00 56.01 55.19 3a22 n LEU 591 Cb 0.67 -2.89 0.01 0.00 -1.62 0.00 0.00 43.42 39.59 3a22 n LEU 591 CO 0.27 0.05 1.05 0.61 -1.22 0.00 0.00 177.39 178.16 3a22 n GLY 592 N -1.31 0.97 0.00 -0.72 0.00 -0.81 -4.93 105.19 98.38 3a22 n GLY 592 Ca -0.16 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3a22 n GLY 592 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a22 n THR 593 N -0.01 0.88 -4.50 2.61 -2.24 -1.26 -4.80 114.28 104.95 3a22 n THR 593 Ca 0.04 -0.93 -0.24 0.00 -2.27 0.00 0.00 64.05 60.66 3a22 n THR 593 Cb 0.40 0.56 -0.11 0.00 -2.10 0.00 0.00 70.33 69.09 3a22 n THR 593 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3a22 s THR 594 N -0.88 1.87 -0.05 4.28 -4.23 -1.26 -4.97 115.64 110.39 3a22 s THR 594 Ca 0.00 -2.12 -0.37 0.00 -1.18 0.00 0.00 61.69 58.02 3a22 s THR 594 Cb 0.00 -2.65 -0.15 0.00 1.34 0.00 0.00 72.50 71.04 3a22 s THR 594 CO 0.00 -0.18 1.62 0.59 -0.54 0.00 0.00 174.62 176.10 3a22 n ASN 595 N -0.73 2.48 0.00 3.99 3.02 -1.26 -1.86 115.26 120.89 3a22 n ASN 595 Ca -0.05 1.07 0.00 0.00 -0.03 0.00 0.00 54.58 55.57 3a22 n ASN 595 Cb 0.64 -1.25 0.00 0.00 -0.61 0.00 0.00 39.78 38.56 3a22 n ASN 595 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a22 n GLY 596 N 3.58 0.32 3.67 7.41 0.00 -0.19 -5.02 105.19 114.96 3a22 n GLY 596 Ca 0.22 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.77 3a22 n GLY 596 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3a22 n THR 597 N -1.99 0.13 -2.16 2.61 -1.04 -0.78 -4.73 114.28 106.32 3a22 n THR 597 Ca 0.00 -0.02 -0.41 0.00 -2.04 0.00 0.00 64.05 61.58 3a22 n THR 597 Cb 0.00 -1.59 -0.03 0.00 -1.82 0.00 0.00 70.33 66.89 3a22 n THR 597 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3a22 s LYS 598 N 1.60 4.37 -0.24 -2.82 1.02 -1.26 -0.66 119.74 121.74 3a22 s LYS 598 Ca 0.82 2.14 -0.07 0.00 0.02 0.00 0.00 55.97 58.88 3a22 s LYS 598 Cb -0.69 -3.13 -0.03 0.00 -0.52 0.00 0.00 37.83 33.45 3a22 s LYS 598 CO 0.41 -0.23 0.07 0.08 -0.92 0.00 0.00 175.35 174.76 3a22 s VAL 599 N -0.42 4.39 0.37 3.17 1.01 -1.04 -0.81 120.40 127.06 3a22 s VAL 599 Ca 0.54 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.40 3a22 s VAL 599 Cb -0.38 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 3a22 s VAL 599 CO 0.44 0.35 0.11 0.68 0.00 0.00 0.00 175.10 176.68 3a22 s VAL 600 N 1.51 0.74 0.08 2.92 -7.23 0.41 -1.10 120.40 117.73 3a22 s VAL 600 Ca 0.06 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.18 3a22 s VAL 600 Cb -0.15 -2.51 -0.05 0.00 0.56 0.00 0.00 36.38 34.23 3a22 s VAL 600 CO 0.04 0.00 0.32 0.27 -0.31 0.00 0.00 175.10 175.42 3a22 s ILE 601 N -3.31 5.24 -0.01 -0.62 -4.36 -0.67 -0.42 121.20 117.05 3a22 s ILE 601 Ca 0.29 0.03 -0.23 0.00 -0.26 0.00 0.00 60.65 60.48 3a22 s ILE 601 Cb 0.05 -3.61 0.05 0.00 1.25 0.00 0.00 42.46 40.20 3a22 s ILE 601 CO 0.15 0.17 0.52 0.86 0.24 0.00 0.00 174.94 176.88 3a22 s TRP 602 N -1.51 -0.44 0.20 1.37 -0.11 -0.55 -0.53 118.94 117.37 3a22 s TRP 602 Ca 0.35 0.66 -0.32 0.00 1.22 0.00 0.00 56.10 58.01 3a22 s TRP 602 Cb -0.13 0.29 -0.15 0.00 -1.50 0.00 0.00 33.47 31.99 3a22 s TRP 602 CO 0.22 -0.55 1.26 -0.25 -4.62 0.00 0.00 176.95 173.01 3a22 n ASP 603 N 0.85 1.89 -4.74 5.86 8.00 -1.26 0.52 116.55 127.67 3a22 n ASP 603 Ca -0.20 1.14 -0.41 0.00 0.71 0.00 0.00 54.79 56.03 3a22 n ASP 603 Cb 0.58 -1.30 -0.02 0.00 -0.02 0.00 0.00 41.12 40.36 3a22 n ASP 603 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a22 n ASN 605 N 2.44 0.09 0.00 0.00 0.23 -1.26 -5.03 115.26 111.74 3a22 n ASN 605 Ca 0.07 -1.05 0.00 0.00 -0.53 0.00 0.00 54.58 53.08 3a22 n ASN 605 Cb 0.40 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.10 3a22 n ASN 605 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3a22 n GLY 606 N -0.02 0.44 3.84 4.83 0.00 -1.26 -5.01 105.19 108.00 3a22 n GLY 606 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3a22 n GLY 606 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3a22 s GLN 607 N -0.63 3.15 0.56 1.61 -0.21 -1.26 -4.96 119.66 117.91 3a22 s GLN 607 Ca 0.00 0.89 0.29 0.00 0.02 0.00 0.00 55.36 56.56 3a22 s GLN 607 Cb 0.00 -2.02 1.64 0.00 1.00 0.00 0.00 33.01 33.63 3a22 s GLN 607 CO 0.00 -0.93 2.17 0.00 -2.12 0.00 0.00 175.29 174.40 3a22 h ALA 608 N -0.58 1.40 0.00 6.09 0.00 -1.95 -1.86 119.26 122.36 3a22 h ALA 608 Ca -0.44 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3a22 h ALA 608 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3a22 h ALA 608 CO 0.58 0.08 0.00 0.27 0.00 0.00 0.00 179.25 180.18 3a22 n ASN 609 N -3.74 0.00 -0.94 0.00 6.94 -1.26 -2.24 115.26 114.02 3a22 n ASN 609 Ca -0.02 -0.05 0.09 0.00 -0.02 0.00 0.00 54.58 54.58 3a22 n ASN 609 Cb 0.16 -0.29 0.20 0.00 -2.36 0.00 0.00 39.78 37.48 3a22 n ASN 609 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3a22 n GLN 610 N -1.29 2.44 -4.29 -3.83 6.02 -0.70 -1.62 117.38 114.10 3a22 n GLN 610 Ca 0.12 -2.16 -0.35 0.00 -0.01 0.00 0.00 57.00 54.60 3a22 n GLN 610 Cb 0.20 -1.41 -0.09 0.00 1.02 0.00 0.00 30.24 29.97 3a22 n GLN 610 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3a22 s LYS 611 N -1.13 3.02 -0.02 -1.09 1.02 -0.97 -4.15 119.74 116.42 3a22 s LYS 611 Ca 0.33 -0.40 0.01 0.00 0.02 0.00 0.00 55.97 55.92 3a22 s LYS 611 Cb 0.18 -2.83 0.01 0.00 -0.52 0.00 0.00 37.83 34.67 3a22 s LYS 611 CO 0.24 0.70 -0.03 -1.58 -0.92 0.00 0.00 175.35 173.76 3a22 s TRP 612 N -0.94 0.42 -0.22 3.18 0.52 0.76 -0.96 118.94 121.71 3a22 s TRP 612 Ca 0.15 -0.07 -0.10 0.00 0.02 0.00 0.00 56.10 56.10 3a22 s TRP 612 Cb -0.11 -0.37 -0.05 0.00 -1.15 0.00 0.00 33.47 31.79 3a22 s TRP 612 CO 0.04 -0.07 0.14 -0.80 0.02 0.00 0.00 176.95 176.28 3a22 s ASN 613 N 0.41 6.10 -0.55 2.95 0.01 0.37 -4.80 114.94 119.44 3a22 s ASN 613 Ca -0.04 0.15 -0.17 0.00 -0.71 0.00 0.00 52.86 52.08 3a22 s ASN 613 Cb -0.08 -2.09 0.12 0.00 0.41 0.00 0.00 41.25 39.62 3a22 s ASN 613 CO -0.01 0.11 0.55 -0.63 -1.51 0.00 0.00 177.10 175.62 3a22 s ILE 614 N 0.77 5.11 0.42 0.60 1.01 -1.26 -1.22 121.20 126.62 3a22 s ILE 614 Ca 0.07 -1.36 -0.09 0.00 0.00 0.00 0.00 60.65 59.27 3a22 s ILE 614 Cb -0.13 -4.38 -0.06 0.00 0.01 0.00 0.00 42.46 37.91 3a22 s ILE 614 CO 0.02 -0.93 0.77 0.20 0.00 0.00 0.00 174.94 175.00 3a22 s ASN 615 N 3.59 6.47 0.59 3.58 0.01 -0.38 -4.97 114.94 123.82 3a22 s ASN 615 Ca 0.05 1.09 0.36 0.00 -0.71 0.00 0.00 52.86 53.65 3a22 s ASN 615 Cb -0.28 -2.31 1.79 0.00 0.41 0.00 0.00 41.25 40.86 3a22 s ASN 615 CO 0.04 -0.43 2.16 0.77 -1.51 0.00 0.00 177.10 178.13 3a22 h SER 616 N 1.07 0.00 -0.19 -1.22 4.64 -1.96 -2.18 113.55 113.70 3a22 h SER 616 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3a22 h SER 616 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3a22 h SER 616 CO 0.63 0.04 0.00 -0.90 -0.87 0.00 0.00 176.83 175.73 3a22 n ASP 617 N -3.27 1.20 0.00 4.97 5.75 -1.26 -4.89 116.55 119.05 3a22 n ASP 617 Ca -0.01 -1.87 0.00 0.00 -0.01 0.00 0.00 54.79 52.90 3a22 n ASP 617 Cb 0.20 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 3a22 n ASP 617 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3a22 n GLY 618 N 0.92 1.01 3.87 6.12 0.00 -0.82 -4.94 105.19 111.35 3a22 n GLY 618 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3a22 n GLY 618 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a22 s THR 619 N -2.92 4.69 -0.23 2.61 -4.23 -1.26 -0.31 115.64 114.00 3a22 s THR 619 Ca 0.00 0.84 0.01 0.00 -1.18 0.00 0.00 61.69 61.37 3a22 s THR 619 Cb 0.00 -3.77 0.05 0.00 1.34 0.00 0.00 72.50 70.12 3a22 s THR 619 CO 0.00 -0.76 -0.10 -0.63 -0.54 0.00 0.00 174.62 172.59 3a22 s ILE 620 N -2.69 1.80 -0.10 2.99 1.01 -1.26 -1.24 121.20 121.71 3a22 s ILE 620 Ca 0.54 -1.27 -0.02 0.00 0.00 0.00 0.00 60.65 59.91 3a22 s ILE 620 Cb -0.10 -1.92 -0.03 0.00 0.01 0.00 0.00 42.46 40.41 3a22 s ILE 620 CO 0.38 0.05 0.00 0.42 0.00 0.00 0.00 174.94 175.79 3a22 s THR 621 N 1.30 4.32 -0.04 2.92 -4.23 -0.36 -0.72 115.64 118.82 3a22 s THR 621 Ca -0.05 -0.24 -0.30 0.00 -1.18 0.00 0.00 61.69 59.92 3a22 s THR 621 Cb -0.18 -2.83 -0.04 0.00 1.34 0.00 0.00 72.50 70.79 3a22 s THR 621 CO -0.07 0.59 1.24 0.21 -0.54 0.00 0.00 174.62 176.05 3a22 s ASN 622 N -0.72 7.01 0.15 3.99 3.84 0.01 -0.48 114.94 128.76 3a22 s ASN 622 Ca 0.11 1.88 -0.14 0.00 0.21 0.00 0.00 52.86 54.92 3a22 s ASN 622 Cb -0.12 -2.56 0.04 0.00 -0.55 0.00 0.00 41.25 38.06 3a22 s ASN 622 CO 0.02 -0.61 1.73 0.58 -2.79 0.00 0.00 177.10 176.03 3a22 h VAL 623 N 4.98 1.20 -0.69 -5.21 2.07 -1.16 0.59 116.25 118.01 3a22 h VAL 623 Ca -0.35 -0.57 0.06 0.00 0.82 0.00 0.00 66.70 66.66 3a22 h VAL 623 Cb 1.17 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 31.54 3a22 h VAL 623 CO 0.88 0.22 0.39 -1.13 0.02 0.00 0.00 177.57 177.96 3a22 h ASN 624 N 0.65 0.59 0.00 0.57 -1.24 -1.69 -3.29 115.58 111.17 3a22 h ASN 624 Ca 0.17 0.03 -0.34 0.00 0.71 0.00 0.00 56.30 56.87 3a22 h ASN 624 Cb 0.14 -0.09 -0.06 0.00 0.73 0.00 0.00 38.32 39.03 3a22 h ASN 624 CO -0.02 0.38 -2.28 0.00 -1.29 0.00 0.00 177.43 174.22 3a22 n ALA 625 N -2.35 1.54 -0.95 1.57 0.00 -1.14 -5.00 120.51 114.18 3a22 n ALA 625 Ca 0.09 -1.22 0.00 0.00 0.00 0.00 0.00 53.44 52.31 3a22 n ALA 625 Cb 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.48 3a22 n ALA 625 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a22 n GLY 626 N 1.87 0.46 3.91 0.00 0.00 0.20 -5.02 105.19 106.61 3a22 n GLY 626 Ca -0.31 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 3a22 n GLY 626 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a22 s LEU 627 N 0.00 3.80 0.02 0.99 1.43 -1.24 -4.71 118.68 118.96 3a22 s LEU 627 Ca 0.00 0.80 -0.13 0.00 -1.03 0.00 0.00 54.13 53.77 3a22 s LEU 627 Cb 0.00 -3.71 -0.06 0.00 0.03 0.00 0.00 46.19 42.45 3a22 s LEU 627 CO 0.00 -0.44 0.40 0.00 0.23 0.00 0.00 176.35 176.54 3a22 s LEU 629 N -1.30 4.37 -0.06 0.00 2.96 0.10 -1.14 118.68 123.61 3a22 s LEU 629 Ca 0.26 2.54 -0.02 0.00 -0.22 0.00 0.00 54.13 56.69 3a22 s LEU 629 Cb -0.16 -3.59 0.04 0.00 0.50 0.00 0.00 46.19 42.98 3a22 s LEU 629 CO 0.14 -0.81 0.11 -0.62 -1.32 0.00 0.00 176.35 173.85 3a22 s ASP 630 N 1.43 0.20 -0.51 3.68 -1.08 0.15 -4.50 116.67 116.04 3a22 s ASP 630 Ca 0.70 0.23 -0.27 0.00 -0.52 0.00 0.00 52.55 52.69 3a22 s ASP 630 Cb -0.42 0.12 0.03 0.00 -1.46 0.00 0.00 42.92 41.19 3a22 s ASP 630 CO 0.31 -0.17 1.05 0.00 0.52 0.00 0.00 175.17 176.88 3a22 s ALA 631 N 1.45 3.14 0.05 3.66 0.00 -0.34 -1.01 121.76 128.71 3a22 s ALA 631 Ca -0.06 -0.80 -0.35 0.00 0.00 0.00 0.00 51.96 50.75 3a22 s ALA 631 Cb -0.12 -3.82 -0.14 0.00 0.00 0.00 0.00 23.12 19.04 3a22 s ALA 631 CO -0.05 -2.32 1.58 0.98 0.00 0.00 0.00 175.76 175.96 3a22 n TYR 632 N 7.70 2.06 -1.22 0.00 9.36 -0.47 -1.62 117.16 132.98 3a22 n TYR 632 Ca 0.07 0.34 -0.08 0.00 3.32 0.00 0.00 57.90 61.56 3a22 n TYR 632 Cb 0.49 -2.50 -0.03 0.00 -0.63 0.00 0.00 39.34 36.66 3a22 n TYR 632 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3a22 n ASN 633 N 3.95 -4.42 -2.63 2.98 5.15 -1.26 -2.67 115.26 116.36 3a22 n ASN 633 Ca 0.19 0.19 -0.13 0.00 -0.60 0.00 0.00 54.58 54.22 3a22 n ASN 633 Cb 0.25 -2.58 -0.00 0.00 -0.53 0.00 0.00 39.78 36.91 3a22 n ASN 633 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3a22 n ALA 634 N 1.14 -0.85 -1.52 5.20 0.00 -0.64 -4.98 120.51 118.87 3a22 n ALA 634 Ca -0.08 0.09 -0.33 0.00 0.00 0.00 0.00 53.44 53.12 3a22 n ALA 634 Cb 0.33 -1.70 0.05 0.00 0.00 0.00 0.00 19.45 18.14 3a22 n ALA 634 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a22 s ALA 635 N -2.63 2.44 0.00 0.00 0.00 -1.09 -4.99 121.76 115.50 3a22 s ALA 635 Ca 0.08 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.66 3a22 s ALA 635 Cb -0.04 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.73 3a22 s ALA 635 CO 0.10 -1.31 0.08 0.25 0.00 0.00 0.00 175.76 174.88 3a22 n THR 636 N -2.34 0.00 -1.61 0.00 -2.24 -1.26 -4.79 114.28 102.03 3a22 n THR 636 Ca 0.11 -0.40 -0.31 0.00 -2.27 0.00 0.00 64.05 61.18 3a22 n THR 636 Cb 0.52 1.04 0.05 0.00 -2.10 0.00 0.00 70.33 69.84 3a22 n THR 636 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a22 s ALA 637 N -0.64 2.65 0.17 6.98 0.00 -1.26 -4.82 121.76 124.84 3a22 s ALA 637 Ca 0.00 -0.01 -0.33 0.00 0.00 0.00 0.00 51.96 51.62 3a22 s ALA 637 Cb 0.00 -3.14 -0.16 0.00 0.00 0.00 0.00 23.12 19.82 3a22 s ALA 637 CO 0.00 -1.26 1.17 0.09 0.00 0.00 0.00 175.76 175.76 3a22 n ASN 638 N -3.14 1.35 0.00 0.00 3.02 -1.26 -2.25 115.26 112.98 3a22 n ASN 638 Ca 0.07 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.76 3a22 n ASN 638 Cb 0.54 -1.21 0.00 0.00 -0.61 0.00 0.00 39.78 38.50 3a22 n ASN 638 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a22 n GLY 639 N 2.04 0.75 3.69 7.41 0.00 -0.18 -4.99 105.19 113.90 3a22 n GLY 639 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3a22 n GLY 639 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a22 s THR 640 N -2.84 2.99 0.35 2.61 2.01 -0.95 -4.80 115.64 115.01 3a22 s THR 640 Ca 0.00 0.44 -0.26 0.00 0.31 0.00 0.00 61.69 62.18 3a22 s THR 640 Cb 0.00 -3.28 -0.09 0.00 0.01 0.00 0.00 72.50 69.14 3a22 s THR 640 CO 0.00 -0.00 1.08 -0.44 -0.69 0.00 0.00 174.62 174.57 3a22 s SER 641 N 2.46 6.92 -0.14 3.53 0.01 -1.26 -0.52 113.70 124.70 3a22 s SER 641 Ca 0.75 2.17 -0.12 0.00 1.31 0.00 0.00 55.95 60.06 3a22 s SER 641 Cb -0.40 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.17 3a22 s SER 641 CO 0.33 -0.38 0.24 -0.76 0.41 0.00 0.00 173.24 173.07 3a22 s LEU 642 N -2.16 4.29 0.32 2.44 1.43 -0.43 -1.36 118.68 123.22 3a22 s LEU 642 Ca 0.53 0.48 0.04 0.00 -1.03 0.00 0.00 54.13 54.15 3a22 s LEU 642 Cb -0.27 -2.27 -0.03 0.00 0.03 0.00 0.00 46.19 43.65 3a22 s LEU 642 CO 0.34 0.21 0.17 0.68 0.23 0.00 0.00 176.35 177.98 3a22 s VAL 643 N -0.04 0.34 0.16 -1.59 -7.23 -0.18 -2.51 120.40 109.35 3a22 s VAL 643 Ca 0.15 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.21 3a22 s VAL 643 Cb -0.13 -2.49 -0.07 0.00 0.56 0.00 0.00 36.38 34.26 3a22 s VAL 643 CO 0.04 0.00 0.50 -0.76 -0.31 0.00 0.00 175.10 174.56 3a22 s LEU 644 N -3.41 4.28 -0.08 1.32 1.43 0.16 -0.67 118.68 121.71 3a22 s LEU 644 Ca 0.34 0.92 -0.21 0.00 -1.03 0.00 0.00 54.13 54.15 3a22 s LEU 644 Cb 0.04 -3.33 0.05 0.00 0.03 0.00 0.00 46.19 42.98 3a22 s LEU 644 CO 0.18 0.06 0.50 0.86 0.23 0.00 0.00 176.35 178.18 3a22 s TRP 645 N -1.57 -0.45 0.09 0.29 -0.11 -0.29 -1.02 118.94 115.87 3a22 s TRP 645 Ca 0.40 0.88 -0.36 0.00 1.22 0.00 0.00 56.10 58.23 3a22 s TRP 645 Cb -0.13 0.23 -0.18 0.00 -1.50 0.00 0.00 33.47 31.89 3a22 s TRP 645 CO 0.20 -0.43 1.16 0.45 -4.62 0.00 0.00 176.95 173.71 3a22 n SER 646 N 1.58 0.86 -4.77 5.86 2.88 -1.26 -0.24 113.62 118.52 3a22 n SER 646 Ca -0.18 1.14 -0.38 0.00 -1.33 0.00 0.00 58.87 58.11 3a22 n SER 646 Cb 0.56 -1.09 -0.03 0.00 -0.75 0.00 0.00 64.21 62.91 3a22 n SER 646 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3a22 n GLY 648 N 0.67 1.73 0.00 0.00 0.00 -1.26 -5.04 105.19 101.30 3a22 n GLY 648 Ca 0.03 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.15 3a22 n GLY 648 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a22 n THR 649 N -0.60 0.00 0.00 2.61 -2.24 -1.26 -5.09 114.28 107.70 3a22 n THR 649 Ca 0.00 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 3a22 n THR 649 Cb 0.00 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 3a22 n THR 649 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a22 n GLY 650 N 1.44 1.15 0.20 3.38 0.00 -1.26 -4.93 105.19 105.17 3a22 n GLY 650 Ca 0.03 -1.81 0.13 0.00 0.00 0.00 0.00 46.02 44.37 3a22 n GLY 650 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3a22 h ASP 651 N 0.00 0.00 0.00 1.61 3.32 -1.98 0.13 116.42 119.50 3a22 h ASP 651 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3a22 h ASP 651 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3a22 h ASP 651 CO 0.00 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.06 3a22 n ASN 652 N -2.39 0.00 -0.24 6.45 6.94 -1.26 -2.10 115.26 122.66 3a22 n ASN 652 Ca -0.02 -0.55 0.02 0.00 -0.02 0.00 0.00 54.58 54.02 3a22 n ASN 652 Cb 0.08 0.00 0.05 0.00 -2.36 0.00 0.00 39.78 37.56 3a22 n ASN 652 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3a22 n GLN 653 N -0.96 2.54 -4.67 -3.83 6.02 0.46 -1.20 117.38 115.74 3a22 n GLN 653 Ca 0.11 -1.60 -0.34 0.00 -0.01 0.00 0.00 57.00 55.17 3a22 n GLN 653 Cb 0.05 -1.10 -0.12 0.00 1.02 0.00 0.00 30.24 30.09 3a22 n GLN 653 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3a22 s LYS 654 N -0.92 2.70 0.05 -1.09 1.02 -0.89 -4.13 119.74 116.47 3a22 s LYS 654 Ca 0.09 -0.58 -0.04 0.00 0.02 0.00 0.00 55.97 55.46 3a22 s LYS 654 Cb 0.05 -2.55 -0.02 0.00 -0.52 0.00 0.00 37.83 34.78 3a22 s LYS 654 CO 0.06 0.66 0.06 -1.58 -0.92 0.00 0.00 175.35 173.62 3a22 s TRP 655 N -0.80 0.32 -0.05 3.18 0.52 0.57 -0.44 118.94 122.23 3a22 s TRP 655 Ca 0.12 -0.73 0.04 0.00 0.02 0.00 0.00 56.10 55.56 3a22 s TRP 655 Cb -0.11 -0.22 -0.02 0.00 -1.15 0.00 0.00 33.47 31.97 3a22 s TRP 655 CO 0.01 -0.39 -0.18 0.95 0.02 0.00 0.00 176.95 177.36 3a22 s THR 656 N -3.23 2.70 -0.39 2.01 -4.23 -0.33 -4.76 115.64 107.41 3a22 s THR 656 Ca 0.00 -0.85 0.12 0.00 -1.18 0.00 0.00 61.69 59.79 3a22 s THR 656 Cb 0.03 -2.04 0.38 0.00 1.34 0.00 0.00 72.50 72.21 3a22 s THR 656 CO -0.07 0.58 0.85 0.52 -0.54 0.00 0.00 174.62 175.95 3a22 n VAL 657 N 2.58 0.80 0.02 2.29 0.31 -1.26 -1.32 118.33 121.74 3a22 n VAL 657 Ca -0.17 -4.36 0.00 0.00 -0.01 0.00 0.00 64.34 59.80 3a22 n VAL 657 Cb 0.52 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 3a22 n VAL 657 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86