#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r3u s THR 43 N 0.00 4.72 0.35 2.03 2.01 -1.26 -5.09 115.64 118.41 2r3u s THR 43 Ca 0.00 -0.06 -0.28 0.00 0.31 0.00 0.00 61.69 61.66 2r3u s THR 43 Cb 0.00 -3.11 -0.10 0.00 0.01 0.00 0.00 72.50 69.30 2r3u s THR 43 CO 0.00 0.49 1.30 -2.84 -0.69 0.00 0.00 174.62 172.88 2r3u s PRO 44 N 0.16 4.27 0.15 4.92 0.02 -1.26 -4.95 135.00 138.31 2r3u s PRO 44 Ca 0.04 2.19 -0.31 0.00 0.02 0.00 0.00 61.00 62.94 2r3u s PRO 44 Cb -0.12 -3.00 -0.10 0.00 0.02 0.00 0.00 34.50 31.30 2r3u s PRO 44 CO 0.01 -0.25 1.56 0.00 -0.33 0.00 0.00 177.00 177.99 2r3u s ALA 45 N -1.17 3.75 0.07 -1.55 0.00 -1.26 -4.99 121.76 116.61 2r3u s ALA 45 Ca 0.51 1.32 -0.15 0.00 0.00 0.00 0.00 51.96 53.64 2r3u s ALA 45 Cb -0.39 -3.62 0.03 0.00 0.00 0.00 0.00 23.12 19.13 2r3u s ALA 45 CO 0.52 -0.80 0.35 0.45 0.00 0.00 0.00 175.76 176.27 2r3u s SER 46 N 1.30 -0.17 -0.07 0.00 0.15 -1.26 -5.00 113.70 108.65 2r3u s SER 46 Ca 0.70 -0.23 0.10 0.00 0.70 0.00 0.00 55.95 57.22 2r3u s SER 46 Cb -0.42 0.41 0.25 0.00 -1.71 0.00 0.00 66.02 64.54 2r3u s SER 46 CO 0.31 -0.71 1.18 -1.22 1.20 0.00 0.00 173.24 174.00 2r3u n TYR 47 N 0.24 0.30 0.08 3.44 4.02 -1.26 -4.72 117.16 119.25 2r3u n TYR 47 Ca -0.17 -0.69 0.20 0.00 -0.01 0.00 0.00 57.90 57.22 2r3u n TYR 47 Cb 0.61 -0.12 0.75 0.00 -0.02 0.00 0.00 39.34 40.56 2r3u n TYR 47 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 176.86 174.88 2r3u h ASN 48 N 0.85 0.00 0.24 7.72 -0.73 -1.96 -2.00 115.58 119.70 2r3u h ASN 48 Ca 0.00 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.16 2r3u h ASN 48 Cb 0.86 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.46 2r3u h ASN 48 CO 0.04 0.00 -0.11 0.25 -0.37 0.00 0.00 177.43 177.24 2r3u h LEU 49 N 0.00 -0.27 -1.46 0.34 5.85 -1.90 0.12 115.31 117.99 2r3u h LEU 49 Ca 0.20 -0.12 0.11 0.00 0.84 0.00 0.00 57.88 58.90 2r3u h LEU 49 Cb 0.98 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 2r3u h LEU 49 CO -0.00 -0.03 0.49 0.00 -0.34 0.00 0.00 178.44 178.55 2r3u h ALA 50 N 0.21 1.89 0.65 1.25 0.00 -1.52 -1.60 119.26 120.14 2r3u h ALA 50 Ca -0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2r3u h ALA 50 Cb 0.38 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.05 2r3u h ALA 50 CO 0.05 -0.06 -0.31 0.28 0.00 0.00 0.00 179.25 179.22 2r3u h VAL 51 N 0.59 0.05 -0.94 0.00 2.07 -1.11 -1.24 116.25 115.67 2r3u h VAL 51 Ca 0.35 -0.36 0.24 0.00 0.82 0.00 0.00 66.70 67.75 2r3u h VAL 51 Cb 0.55 0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 30.33 2r3u h VAL 51 CO -0.12 0.01 0.63 0.03 0.02 0.00 0.00 177.57 178.14 2r3u h ARG 52 N -1.21 0.28 -0.05 1.57 3.08 -0.39 0.10 114.38 117.77 2r3u h ARG 52 Ca -0.09 -0.02 -0.18 0.00 0.07 0.00 0.00 59.98 59.77 2r3u h ARG 52 Cb 0.68 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.68 2r3u h ARG 52 CO 0.15 0.18 -0.67 0.00 -1.07 0.00 0.00 179.97 178.56 2r3u h ARG 53 N 0.28 0.53 0.00 0.04 3.08 -1.22 -3.41 114.38 113.69 2r3u h ARG 53 Ca 0.49 -0.51 -0.36 0.00 0.07 0.00 0.00 59.98 59.67 2r3u h ARG 53 Cb 1.42 0.13 -0.07 0.00 0.08 0.00 0.00 29.97 31.53 2r3u h ARG 53 CO -0.15 1.14 -2.34 0.00 -1.07 0.00 0.00 179.97 177.55 2r3u n ALA 54 N -2.59 1.51 -0.31 0.04 0.00 -0.48 -4.62 120.51 114.07 2r3u n ALA 54 Ca -0.09 -1.20 0.03 0.00 0.00 0.00 0.00 53.44 52.17 2r3u n ALA 54 Cb 0.69 -0.13 0.17 0.00 0.00 0.00 0.00 19.45 20.18 2r3u n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2r3u h ALA 55 N 0.66 1.22 -0.46 0.00 0.00 -1.02 -1.83 119.26 117.83 2r3u h ALA 55 Ca -0.53 0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.49 2r3u h ALA 55 Cb 2.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.68 2r3u h ALA 55 CO -0.01 0.16 0.32 -1.35 0.00 0.00 0.00 179.25 178.37 2r3u h PRO 56 N 0.86 0.20 -0.00 0.00 0.11 -1.79 -0.84 132.00 130.55 2r3u h PRO 56 Ca 0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.50 2r3u h PRO 56 Cb 0.33 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.39 2r3u h PRO 56 CO -0.23 0.13 -0.01 0.00 -0.21 0.00 0.00 178.00 177.68 2r3u n ALA 57 N -2.56 2.61 -2.76 -0.75 0.00 -0.69 -4.45 120.51 111.91 2r3u n ALA 57 Ca 0.07 -0.19 -0.37 0.00 0.00 0.00 0.00 53.44 52.95 2r3u n ALA 57 Cb 0.38 -1.48 -0.11 0.00 0.00 0.00 0.00 19.45 18.25 2r3u n ALA 57 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2r3u s VAL 58 N -2.29 4.99 0.37 0.00 1.01 -0.32 -1.12 120.40 123.04 2r3u s VAL 58 Ca 0.37 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.49 2r3u s VAL 58 Cb 0.21 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 2r3u s VAL 58 CO 0.42 0.32 0.35 0.68 0.00 0.00 0.00 175.10 176.87 2r3u s VAL 59 N 1.41 3.27 -0.25 2.92 -7.23 0.12 -4.45 120.40 116.18 2r3u s VAL 59 Ca 0.06 -1.30 -0.10 0.00 -1.81 0.00 0.00 61.98 58.83 2r3u s VAL 59 Cb -0.15 -3.13 -0.05 0.00 0.56 0.00 0.00 36.38 33.61 2r3u s VAL 59 CO 0.06 -0.11 0.15 0.20 -0.31 0.00 0.00 175.10 175.10 2r3u s ASN 60 N -4.08 5.90 -0.17 4.85 0.02 -0.08 -1.74 114.94 119.64 2r3u s ASN 60 Ca 0.44 0.02 -0.08 0.00 -1.02 0.00 0.00 52.86 52.22 2r3u s ASN 60 Cb -0.06 -2.07 -0.04 0.00 0.02 0.00 0.00 41.25 39.10 2r3u s ASN 60 CO 0.28 0.02 0.10 -0.69 0.02 0.00 0.00 177.10 176.82 2r3u s VAL 61 N 1.35 5.12 0.28 1.60 1.01 -1.03 -1.09 120.40 127.64 2r3u s VAL 61 Ca 0.07 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.12 2r3u s VAL 61 Cb -0.15 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 2r3u s VAL 61 CO 0.07 0.49 0.30 -0.31 0.00 0.00 0.00 175.10 175.65 2r3u s TYR 62 N 0.01 1.20 0.27 5.22 1.51 -0.10 -2.14 117.35 123.31 2r3u s TYR 62 Ca 0.08 -1.35 0.03 0.00 -1.01 0.00 0.00 57.07 54.81 2r3u s TYR 62 Cb -0.12 -0.39 -0.04 0.00 -0.11 0.00 0.00 41.96 41.31 2r3u s TYR 62 CO 0.00 -0.87 0.18 0.54 -1.11 0.00 0.00 175.55 174.29 2r3u s ASN 63 N -3.22 1.00 -0.33 2.29 2.20 -1.26 0.66 114.94 116.29 2r3u s ASN 63 Ca 0.35 -1.55 0.16 0.00 -0.94 0.00 0.00 52.86 50.88 2r3u s ASN 63 Cb 0.03 0.43 0.44 0.00 -2.00 0.00 0.00 41.25 40.16 2r3u s ASN 63 CO 0.18 -0.92 1.25 0.54 -2.94 0.00 0.00 177.10 175.21 2r3u n ARG 64 N -0.46 1.38 -3.34 3.55 1.74 0.18 -4.87 116.66 114.83 2r3u n ARG 64 Ca 0.03 -2.44 -0.14 0.00 -0.77 0.00 0.00 57.85 54.53 2r3u n ARG 64 Cb 0.65 -0.62 -0.07 0.00 -1.02 0.00 0.00 32.46 31.40 2r3u n ARG 64 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 2r3u s LEU 79 N -3.61 -0.33 0.00 0.55 0.05 -1.26 -4.58 118.68 109.50 2r3u s LEU 79 Ca 0.21 -1.25 0.00 0.00 0.05 0.00 0.00 54.13 53.14 2r3u s LEU 79 Cb 0.40 0.77 0.00 0.00 -2.05 0.00 0.00 46.19 45.32 2r3u s LEU 79 CO -0.06 -0.28 0.00 0.61 -0.55 0.00 0.00 176.35 176.08 2r3u n GLY 80 N 4.52 1.47 3.26 -3.48 0.00 -0.91 -4.52 105.19 105.53 2r3u n GLY 80 Ca 0.08 -1.61 -0.16 0.00 0.00 0.00 0.00 46.02 44.33 2r3u n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2r3u s SER 81 N -1.00 0.99 0.20 1.61 0.01 0.50 -2.47 113.70 113.54 2r3u s SER 81 Ca 0.00 -1.57 -0.19 0.00 1.31 0.00 0.00 55.95 55.50 2r3u s SER 81 Cb 0.00 0.45 0.04 0.00 0.21 0.00 0.00 66.02 66.72 2r3u s SER 81 CO 0.00 -0.94 0.58 -0.83 0.41 0.00 0.00 173.24 172.46 2r3u s GLY 82 N -3.28 -0.21 -0.11 3.44 0.00 -0.71 -4.24 107.32 102.20 2r3u s GLY 82 Ca 0.39 -0.07 0.01 0.00 0.00 0.00 0.00 44.72 45.04 2r3u s GLY 82 CO 0.19 -0.13 -0.11 0.14 0.00 0.00 0.00 173.10 173.19 2r3u s VAL 83 N -3.85 1.20 -1.08 1.40 1.01 -0.05 -0.70 120.40 118.32 2r3u s VAL 83 Ca 0.08 -0.43 -0.22 0.00 0.00 0.00 0.00 61.98 61.40 2r3u s VAL 83 Cb -0.02 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 35.22 2r3u s VAL 83 CO -0.03 0.39 1.71 -0.63 0.00 0.00 0.00 175.10 176.53 2r3u s ILE 84 N 1.33 3.79 0.18 2.22 1.01 -0.28 -0.29 121.20 129.17 2r3u s ILE 84 Ca -0.01 -0.94 -0.14 0.00 0.00 0.00 0.00 60.65 59.55 2r3u s ILE 84 Cb -0.14 -4.76 0.10 0.00 0.01 0.00 0.00 42.46 37.68 2r3u s ILE 84 CO -0.05 -1.58 1.70 0.24 0.00 0.00 0.00 174.94 175.26 2r3u h MET 85 N 9.66 0.15 -3.82 2.79 2.86 -1.29 -2.83 114.93 122.46 2r3u h MET 85 Ca 0.23 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.77 2r3u h MET 85 Cb 0.97 -0.03 -0.13 0.00 0.06 0.00 0.00 31.60 32.46 2r3u h MET 85 CO 1.35 0.10 -0.34 0.16 1.06 0.00 0.00 176.91 179.24 2r3u s ASP 86 N -5.27 0.08 0.18 1.22 -4.77 -1.21 -4.28 116.67 102.62 2r3u s ASP 86 Ca -0.13 -0.71 -0.13 0.00 -3.30 0.00 0.00 52.55 48.28 2r3u s ASP 86 Cb 0.15 0.37 0.20 0.00 -1.09 0.00 0.00 42.92 42.56 2r3u s ASP 86 CO 0.72 -0.79 1.20 0.00 0.70 0.00 0.00 175.17 177.00 2r3u n GLN 87 N -0.12 -0.17 0.12 2.11 1.13 -1.26 -1.27 117.38 117.92 2r3u n GLN 87 Ca -0.13 1.19 0.04 0.00 -1.94 0.00 0.00 57.00 56.17 2r3u n GLN 87 Cb 0.63 -1.76 0.23 0.00 0.11 0.00 0.00 30.24 29.45 2r3u n GLN 87 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2r3u n ARG 88 N -5.15 0.06 0.00 -1.09 1.74 -1.26 -4.64 116.66 106.32 2r3u n ARG 88 Ca 0.08 0.48 0.00 0.00 -0.77 0.00 0.00 57.85 57.64 2r3u n ARG 88 Cb 0.32 -2.00 0.00 0.00 -1.02 0.00 0.00 32.46 29.75 2r3u n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2r3u n GLY 89 N -1.27 1.20 3.67 -0.13 0.00 -0.40 -4.71 105.19 103.55 2r3u n GLY 89 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2r3u n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2r3u s TYR 90 N -2.00 3.41 -0.14 1.61 1.51 -1.20 -2.14 117.35 118.40 2r3u s TYR 90 Ca 0.00 1.42 0.02 0.00 -1.01 0.00 0.00 57.07 57.50 2r3u s TYR 90 Cb 0.00 -3.16 0.01 0.00 -0.11 0.00 0.00 41.96 38.70 2r3u s TYR 90 CO 0.00 -0.33 -0.21 0.42 -1.11 0.00 0.00 175.55 174.32 2r3u s ILE 91 N 2.52 2.21 0.25 2.71 1.01 0.10 -0.80 121.20 129.21 2r3u s ILE 91 Ca 0.43 -0.93 -0.07 0.00 0.00 0.00 0.00 60.65 60.08 2r3u s ILE 91 Cb -0.16 -1.89 -0.06 0.00 0.01 0.00 0.00 42.46 40.36 2r3u s ILE 91 CO 0.11 0.54 0.54 -0.63 0.00 0.00 0.00 174.94 175.50 2r3u s ILE 92 N 0.76 5.00 0.21 2.92 1.01 0.60 0.49 121.20 132.19 2r3u s ILE 92 Ca -0.08 0.21 -0.22 0.00 0.00 0.00 0.00 60.65 60.56 2r3u s ILE 92 Cb -0.16 -3.68 0.06 0.00 0.01 0.00 0.00 42.46 38.70 2r3u s ILE 92 CO -0.00 -0.20 0.95 0.28 0.00 0.00 0.00 174.94 175.97 2r3u s THR 93 N -1.95 0.00 0.22 2.92 -1.32 -0.85 -0.88 115.64 113.79 2r3u s THR 93 Ca 0.45 -0.71 -0.25 0.00 -1.21 0.00 0.00 61.69 59.97 2r3u s THR 93 Cb -0.11 -2.49 -0.09 0.00 -1.51 0.00 0.00 72.50 68.31 2r3u s THR 93 CO 0.26 0.00 0.82 0.20 -2.21 0.00 0.00 174.62 173.69 2r3u s ASN 94 N -3.14 7.35 0.51 8.08 0.02 -1.26 -0.35 114.94 126.14 2r3u s ASN 94 Ca 0.16 1.68 0.17 0.00 -1.02 0.00 0.00 52.86 53.85 2r3u s ASN 94 Cb -0.03 -2.51 1.25 0.00 0.02 0.00 0.00 41.25 39.98 2r3u s ASN 94 CO 0.05 0.12 2.11 0.50 0.02 0.00 0.00 177.10 179.90 2r3u h LYS 95 N 3.91 0.06 0.00 -0.60 3.64 -1.43 -0.61 116.57 121.54 2r3u h LYS 95 Ca -0.47 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2r3u h LYS 95 Cb 1.20 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2r3u h LYS 95 CO 0.66 0.04 0.00 1.12 -2.27 0.00 0.00 179.45 179.00 2r3u h HIS 96 N 0.06 0.00 -0.36 1.91 2.07 -1.93 -0.88 115.15 116.03 2r3u h HIS 96 Ca 0.07 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.42 2r3u h HIS 96 Cb 0.20 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.18 2r3u h HIS 96 CO -0.00 0.00 -0.42 0.28 -3.07 0.00 0.00 177.93 174.72 2r3u h VAL 97 N 0.00 1.27 -0.02 6.12 2.07 -1.48 -3.30 116.25 120.91 2r3u h VAL 97 Ca 0.00 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 65.92 2r3u h VAL 97 Cb 0.80 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 2r3u h VAL 97 CO 0.00 0.53 -0.14 2.30 0.02 0.00 0.00 177.57 180.28 2r3u n ILE 98 N -4.05 0.00 -1.61 4.57 -6.64 -1.19 -4.70 119.36 105.73 2r3u n ILE 98 Ca -0.03 -0.43 -0.47 0.00 -1.77 0.00 0.00 62.75 60.06 2r3u n ILE 98 Cb 0.56 1.28 -0.03 0.00 -1.44 0.00 0.00 39.64 40.01 2r3u n ILE 98 CO 0.00 0.00 0.00 -3.20 -1.77 0.00 0.00 176.55 171.58 2r3u n ASN 99 N 0.48 1.76 -4.09 7.28 2.85 -0.34 -2.11 115.26 121.09 2r3u n ASN 99 Ca 0.08 1.15 -0.30 0.00 -0.11 0.00 0.00 54.58 55.40 2r3u n ASN 99 Cb 0.38 -1.29 -0.08 0.00 1.24 0.00 0.00 39.78 40.03 2r3u n ASN 99 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 2r3u n ASP 100 N 1.89 0.04 -4.96 1.20 5.75 -1.26 -4.94 116.55 114.26 2r3u n ASP 100 Ca 0.13 -1.10 -0.22 0.00 -0.01 0.00 0.00 54.79 53.60 2r3u n ASP 100 Cb 0.28 -1.38 -0.02 0.00 -1.03 0.00 0.00 41.12 38.98 2r3u n ASP 100 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2r3u s ALA 101 N -3.79 3.90 0.00 2.12 0.00 -0.90 -5.10 121.76 117.99 2r3u s ALA 101 Ca 0.24 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 51.02 2r3u s ALA 101 Cb -0.14 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.15 2r3u s ALA 101 CO 0.87 0.13 0.00 -0.25 0.00 0.00 0.00 175.76 176.51 2r3u n ASP 102 N -1.55 0.00 -4.63 0.00 8.00 -1.26 -4.90 116.55 112.21 2r3u n ASP 102 Ca -0.07 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.01 2r3u n ASP 102 Cb 0.57 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.63 2r3u n ASP 102 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2r3u s GLN 103 N 0.85 4.05 -0.29 -1.24 0.74 -1.26 -4.84 119.66 117.67 2r3u s GLN 103 Ca 0.00 0.87 -0.26 0.00 0.05 0.00 0.00 55.36 56.03 2r3u s GLN 103 Cb 0.00 -3.72 0.01 0.00 1.10 0.00 0.00 33.01 30.40 2r3u s GLN 103 CO 0.00 -0.75 0.91 0.42 -0.55 0.00 0.00 175.29 175.32 2r3u s ILE 104 N 3.24 4.71 -0.04 -2.34 1.01 -1.26 -0.65 121.20 125.86 2r3u s ILE 104 Ca 0.39 1.51 -0.02 0.00 0.00 0.00 0.00 60.65 62.53 2r3u s ILE 104 Cb -0.14 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.06 2r3u s ILE 104 CO 0.13 -0.28 0.07 -0.63 0.00 0.00 0.00 174.94 174.23 2r3u s ILE 105 N 3.16 4.71 -0.09 2.92 -1.09 0.21 -0.95 121.20 130.07 2r3u s ILE 105 Ca 0.38 -0.28 -0.01 0.00 -2.23 0.00 0.00 60.65 58.51 2r3u s ILE 105 Cb -0.14 -3.09 0.03 0.00 -1.58 0.00 0.00 42.46 37.68 2r3u s ILE 105 CO 0.12 0.46 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.55 2r3u s VAL 106 N -1.08 0.76 -0.20 2.92 1.01 0.24 -0.93 120.40 123.12 2r3u s VAL 106 Ca 0.19 -0.13 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 2r3u s VAL 106 Cb -0.12 -0.82 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 2r3u s VAL 106 CO 0.09 0.32 -0.05 0.00 0.00 0.00 0.00 175.10 175.46 2r3u s ALA 107 N 1.70 2.84 0.66 5.51 0.00 -0.25 -0.86 121.76 131.36 2r3u s ALA 107 Ca 0.03 -1.06 -0.08 0.00 0.00 0.00 0.00 51.96 50.84 2r3u s ALA 107 Cb -0.13 -1.63 0.03 0.00 0.00 0.00 0.00 23.12 21.39 2r3u s ALA 107 CO -0.06 -0.22 1.00 -0.51 0.00 0.00 0.00 175.76 175.97 2r3u s LEU 108 N 1.13 3.01 0.35 0.00 1.43 -0.30 -0.91 118.68 123.39 2r3u s LEU 108 Ca 0.02 0.79 0.27 0.00 -1.03 0.00 0.00 54.13 54.17 2r3u s LEU 108 Cb -0.15 -3.55 1.07 0.00 0.03 0.00 0.00 46.19 43.60 2r3u s LEU 108 CO -0.00 -1.30 1.80 1.56 0.23 0.00 0.00 176.35 178.63 2r3u h GLN 109 N -0.45 0.00 -0.25 1.70 1.08 -1.78 -2.34 115.11 113.07 2r3u h GLN 109 Ca -0.45 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 2r3u h GLN 109 Cb 1.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.70 2r3u h GLN 109 CO 0.62 0.00 0.00 -0.40 -0.95 0.00 0.00 178.83 178.10 2r3u n ASP 110 N -2.52 1.33 0.00 1.46 5.68 -1.26 -4.89 116.55 116.35 2r3u n ASP 110 Ca 0.02 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.31 2r3u n ASP 110 Cb 0.28 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 2r3u n ASP 110 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2r3u n GLY 111 N 0.90 1.21 3.79 6.12 0.00 -0.88 -5.03 105.19 111.30 2r3u n GLY 111 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 2r3u n GLY 111 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2r3u s ARG 112 N -0.29 4.10 -0.04 1.61 0.52 -1.26 -4.85 118.95 118.73 2r3u s ARG 112 Ca 0.00 1.37 0.02 0.00 -0.52 0.00 0.00 55.73 56.59 2r3u s ARG 112 Cb 0.00 -2.35 0.01 0.00 0.52 0.00 0.00 34.95 33.13 2r3u s ARG 112 CO 0.00 -0.17 -0.09 0.08 0.02 0.00 0.00 175.30 175.14 2r3u s VAL 113 N -1.86 0.82 0.10 3.52 1.01 -1.26 -1.15 120.40 121.58 2r3u s VAL 113 Ca 0.61 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.30 2r3u s VAL 113 Cb -0.17 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 2r3u s VAL 113 CO 0.22 0.28 -0.08 -0.36 0.00 0.00 0.00 175.10 175.15 2r3u s PHE 114 N 0.59 0.98 0.10 5.22 0.40 -0.04 -4.99 117.98 120.24 2r3u s PHE 114 Ca -0.10 -0.79 -0.14 0.00 -0.60 0.00 0.00 56.93 55.30 2r3u s PHE 114 Cb -0.13 -0.54 -0.06 0.00 0.51 0.00 0.00 43.02 42.79 2r3u s PHE 114 CO 0.02 -0.06 0.50 -2.00 0.70 0.00 0.00 175.22 174.37 2r3u s GLU 115 N -3.37 3.96 0.06 0.44 2.12 -1.26 -0.59 118.70 120.06 2r3u s GLU 115 Ca 0.09 0.46 0.07 0.00 0.36 0.00 0.00 54.97 55.95 2r3u s GLU 115 Cb 0.01 -3.04 -0.03 0.00 0.26 0.00 0.00 34.13 31.34 2r3u s GLU 115 CO -0.02 0.55 -0.19 0.00 -0.54 0.00 0.00 175.26 175.06 2r3u s ALA 116 N -1.34 1.61 -0.05 6.30 0.00 -0.13 -4.60 121.76 123.55 2r3u s ALA 116 Ca 0.33 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.23 2r3u s ALA 116 Cb -0.16 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 2r3u s ALA 116 CO 0.18 0.33 0.01 -0.51 0.00 0.00 0.00 175.76 175.77 2r3u s LEU 117 N -1.40 3.58 -0.80 0.00 2.01 -0.68 -4.24 118.68 117.15 2r3u s LEU 117 Ca 0.05 0.09 -0.26 0.00 0.01 0.00 0.00 54.13 54.03 2r3u s LEU 117 Cb -0.09 -1.92 0.01 0.00 0.01 0.00 0.00 46.19 44.20 2r3u s LEU 117 CO 0.02 0.34 1.55 -0.22 1.01 0.00 0.00 176.35 179.05 2r3u s LEU 118 N -1.18 3.27 0.00 1.79 1.98 -1.26 -1.65 118.68 121.63 2r3u s LEU 118 Ca 0.16 -0.55 0.10 0.00 -2.89 0.00 0.00 54.13 50.95 2r3u s LEU 118 Cb -0.11 -2.56 0.57 0.00 0.66 0.00 0.00 46.19 44.75 2r3u s LEU 118 CO 0.06 -2.02 1.13 1.33 -1.89 0.00 0.00 176.35 174.96 2r3u n VAL 119 N 6.92 0.00 0.00 1.68 0.24 -0.33 -4.88 118.33 121.96 2r3u n VAL 119 Ca 0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.50 2r3u n VAL 119 Cb 0.50 -0.37 0.00 0.00 -1.47 0.00 0.00 33.84 32.50 2r3u n VAL 119 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2r3u n GLY 120 N 0.28 4.10 3.63 7.63 0.00 -1.21 -4.82 105.19 114.81 2r3u n GLY 120 Ca 0.07 -1.23 -0.26 0.00 0.00 0.00 0.00 46.02 44.59 2r3u n GLY 120 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2r3u s SER 121 N 0.00 3.99 -0.23 1.61 1.04 -1.26 -0.58 113.70 118.27 2r3u s SER 121 Ca 0.00 -1.22 -0.02 0.00 0.48 0.00 0.00 55.95 55.18 2r3u s SER 121 Cb 0.00 -0.42 0.07 0.00 0.10 0.00 0.00 66.02 65.77 2r3u s SER 121 CO 0.00 -0.38 0.06 -0.62 0.98 0.00 0.00 173.24 173.28 2r3u s ASP 122 N -3.72 3.27 0.50 7.02 2.15 0.30 -4.95 116.67 121.23 2r3u s ASP 122 Ca 0.36 -1.08 0.16 0.00 0.43 0.00 0.00 52.55 52.42 2r3u s ASP 122 Cb 0.06 -0.65 1.20 0.00 -0.30 0.00 0.00 42.92 43.23 2r3u s ASP 122 CO 0.19 -0.34 2.09 0.28 -0.17 0.00 0.00 175.17 177.21 2r3u h SER 123 N 8.22 0.12 0.52 -0.34 0.02 -1.97 -0.71 113.55 119.40 2r3u h SER 123 Ca -0.16 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 2r3u h SER 123 Cb 1.08 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.60 2r3u h SER 123 CO 0.38 0.08 0.00 0.18 -1.14 0.00 0.00 176.83 176.33 2r3u n LEU 124 N -4.49 0.00 0.00 5.07 4.77 -1.26 -3.22 117.00 117.87 2r3u n LEU 124 Ca 0.02 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 2r3u n LEU 124 Cb 0.22 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 2r3u n LEU 124 CO 0.35 -0.20 0.06 0.35 -1.33 0.00 0.00 177.39 176.62 2r3u n THR 125 N -1.46 0.00 -3.76 -5.08 -2.24 -0.99 -5.03 114.28 95.72 2r3u n THR 125 Ca 0.05 -0.13 -0.25 0.00 -2.27 0.00 0.00 64.05 61.45 2r3u n THR 125 Cb 0.18 1.74 0.04 0.00 -2.10 0.00 0.00 70.33 70.19 2r3u n THR 125 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2r3u n ASP 126 N -0.00 -2.99 -4.28 3.42 2.03 -0.31 -4.92 116.55 109.50 2r3u n ASP 126 Ca 0.00 -0.77 -0.22 0.00 0.52 0.00 0.00 54.79 54.32 2r3u n ASP 126 Cb 0.19 -4.12 -0.12 0.00 -0.72 0.00 0.00 41.12 36.34 2r3u n ASP 126 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2r3u s LEU 127 N -6.94 2.35 0.05 -2.67 1.43 -1.08 -1.49 118.68 110.31 2r3u s LEU 127 Ca 0.30 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 2r3u s LEU 127 Cb -0.15 -0.80 -0.03 0.00 0.03 0.00 0.00 46.19 45.24 2r3u s LEU 127 CO 0.81 -0.00 -0.04 0.00 0.23 0.00 0.00 176.35 177.35 2r3u s ALA 128 N -1.51 0.47 -0.06 4.21 0.00 0.53 0.11 121.76 125.51 2r3u s ALA 128 Ca 0.08 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 51.09 2r3u s ALA 128 Cb -0.08 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.23 2r3u s ALA 128 CO 0.05 -0.24 -0.17 0.08 0.00 0.00 0.00 175.76 175.47 2r3u s VAL 129 N -2.83 1.48 0.22 0.00 1.01 0.25 -2.00 120.40 118.53 2r3u s VAL 129 Ca -0.01 -0.71 0.10 0.00 0.00 0.00 0.00 61.98 61.36 2r3u s VAL 129 Cb -0.00 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2r3u s VAL 129 CO -0.05 0.43 -0.14 -0.76 0.00 0.00 0.00 175.10 174.58 2r3u s LEU 130 N 0.30 2.80 -0.04 3.92 1.43 0.18 -1.18 118.68 126.10 2r3u s LEU 130 Ca -0.11 -0.75 0.04 0.00 -1.03 0.00 0.00 54.13 52.29 2r3u s LEU 130 Cb -0.14 -1.44 -0.00 0.00 0.03 0.00 0.00 46.19 44.63 2r3u s LEU 130 CO 0.04 0.08 -0.17 -0.75 0.23 0.00 0.00 176.35 175.78 2r3u s LYS 131 N -3.05 1.67 -0.00 1.70 2.47 -0.66 0.02 119.74 121.89 2r3u s LYS 131 Ca 0.26 -0.60 0.04 0.00 -1.56 0.00 0.00 55.97 54.11 2r3u s LYS 131 Cb -0.07 -1.48 -0.01 0.00 -1.46 0.00 0.00 37.83 34.80 2r3u s LYS 131 CO 0.15 0.26 -0.12 0.96 0.16 0.00 0.00 175.35 176.75 2r3u s ILE 132 N -0.03 0.98 -0.57 5.43 -4.36 -0.91 -1.68 121.20 120.05 2r3u s ILE 132 Ca -0.02 -0.61 -0.11 0.00 -0.26 0.00 0.00 60.65 59.65 2r3u s ILE 132 Cb -0.10 -0.84 0.15 0.00 1.25 0.00 0.00 42.46 42.91 2r3u s ILE 132 CO 0.02 0.22 0.48 0.20 0.24 0.00 0.00 174.94 176.09 2r3u s ASN 133 N -0.45 5.98 0.00 4.36 -0.87 -1.26 -4.44 114.94 118.27 2r3u s ASN 133 Ca 0.04 -2.14 -0.05 0.00 -1.57 0.00 0.00 52.86 49.14 2r3u s ASN 133 Cb -0.05 -2.08 -0.04 0.00 -0.02 0.00 0.00 41.25 39.05 2r3u s ASN 133 CO -0.00 -0.68 0.23 0.00 -2.57 0.00 0.00 177.10 174.08 2r3u s ALA 134 N 1.03 3.90 -0.09 0.60 0.00 -1.26 -5.02 121.76 120.92 2r3u s ALA 134 Ca 0.09 -0.67 -0.14 0.00 0.00 0.00 0.00 51.96 51.24 2r3u s ALA 134 Cb -0.23 -1.98 -0.28 0.00 0.00 0.00 0.00 23.12 20.63 2r3u s ALA 134 CO -0.02 0.70 0.58 1.79 0.00 0.00 0.00 175.76 178.81 2r3u h THR 135 N 2.91 0.98 -1.08 0.00 1.35 -2.01 -3.47 112.91 111.58 2r3u h THR 135 Ca -0.49 -2.43 0.00 0.00 -0.55 0.00 0.00 66.41 62.94 2r3u h THR 135 Cb 1.19 2.72 0.00 0.00 -1.73 0.00 0.00 68.15 70.33 2r3u h THR 135 CO 0.68 0.76 0.00 0.61 -0.25 0.00 0.00 175.52 177.32 2r3u n GLY 136 N 1.79 -1.73 3.86 5.82 0.00 -1.26 -5.03 105.19 108.64 2r3u n GLY 136 Ca -0.25 -1.51 -0.34 0.00 0.00 0.00 0.00 46.02 43.92 2r3u n GLY 136 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2r3u s GLY 137 N -1.66 2.37 0.08 -0.02 0.00 -1.26 -5.09 107.32 101.75 2r3u s GLY 137 Ca 0.00 -0.30 0.04 0.00 0.00 0.00 0.00 44.72 44.46 2r3u s GLY 137 CO 0.00 -0.08 0.01 1.08 0.00 0.00 0.00 173.10 174.11 2r3u s LEU 138 N -2.03 3.50 0.13 0.66 1.43 -1.26 -5.10 118.68 116.00 2r3u s LEU 138 Ca 0.36 -0.15 -0.23 0.00 -1.03 0.00 0.00 54.13 53.08 2r3u s LEU 138 Cb -0.14 -2.22 -0.07 0.00 0.03 0.00 0.00 46.19 43.79 2r3u s LEU 138 CO 0.19 0.18 0.70 -2.16 0.23 0.00 0.00 176.35 175.49 2r3u s PRO 139 N -2.28 4.43 0.15 1.29 0.04 -1.26 -4.82 135.00 132.55 2r3u s PRO 139 Ca 0.26 1.00 0.10 0.00 0.04 0.00 0.00 61.00 62.41 2r3u s PRO 139 Cb -0.12 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 2r3u s PRO 139 CO 0.18 0.59 -0.24 0.95 0.04 0.00 0.00 177.00 178.53 2r3u s THR 140 N -1.12 2.14 0.13 1.26 -4.23 -1.26 -4.59 115.64 107.97 2r3u s THR 140 Ca 0.33 -1.82 -0.30 0.00 -1.18 0.00 0.00 61.69 58.72 2r3u s THR 140 Cb -0.22 -1.94 -0.07 0.00 1.34 0.00 0.00 72.50 71.62 2r3u s THR 140 CO 0.24 -0.04 1.10 -0.51 -0.54 0.00 0.00 174.62 174.86 2r3u s ILE 141 N -1.37 4.06 0.27 2.99 1.10 -1.07 -4.71 121.20 122.47 2r3u s ILE 141 Ca 0.15 1.67 -0.30 0.00 -0.51 0.00 0.00 60.65 61.66 2r3u s ILE 141 Cb -0.09 -4.07 -0.10 0.00 0.15 0.00 0.00 42.46 38.35 2r3u s ILE 141 CO 0.07 0.24 1.40 -2.84 -2.11 0.00 0.00 174.94 171.70 2r3u s PRO 142 N 0.10 4.29 -0.09 3.50 0.02 -1.26 -4.92 135.00 136.64 2r3u s PRO 142 Ca 0.51 2.27 -0.02 0.00 0.02 0.00 0.00 61.00 63.78 2r3u s PRO 142 Cb -0.28 -3.10 0.04 0.00 0.02 0.00 0.00 34.50 31.17 2r3u s PRO 142 CO 0.32 -0.36 0.04 0.42 -0.33 0.00 0.00 177.00 177.09 2r3u s ILE 143 N -0.28 0.15 -0.43 2.83 1.01 -1.26 -1.05 121.20 122.17 2r3u s ILE 143 Ca 0.57 0.12 -0.06 0.00 0.00 0.00 0.00 60.65 61.28 2r3u s ILE 143 Cb -0.41 -0.45 0.11 0.00 0.01 0.00 0.00 42.46 41.71 2r3u s ILE 143 CO 0.46 0.10 0.25 0.21 0.00 0.00 0.00 174.94 175.96 2r3u s ASN 144 N 2.06 5.44 0.04 3.58 3.84 -1.26 -4.95 114.94 123.68 2r3u s ASN 144 Ca 0.04 -1.92 0.14 0.00 0.21 0.00 0.00 52.86 51.33 2r3u s ASN 144 Cb -0.13 -1.90 0.62 0.00 -0.55 0.00 0.00 41.25 39.28 2r3u s ASN 144 CO -0.05 -0.59 1.46 0.00 -2.79 0.00 0.00 177.10 175.12 2r3u n ALA 145 N 4.73 1.59 -0.13 1.71 0.00 -1.26 -2.42 120.51 124.74 2r3u n ALA 145 Ca -0.05 -0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.47 2r3u n ALA 145 Cb 0.41 -1.23 0.30 0.00 0.00 0.00 0.00 19.45 18.93 2r3u n ALA 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2r3u n ARG 146 N -1.61 2.56 -3.46 0.00 1.74 -1.26 -4.94 116.66 109.69 2r3u n ARG 146 Ca 0.03 -2.43 -0.38 0.00 -0.77 0.00 0.00 57.85 54.31 2r3u n ARG 146 Cb 0.16 -1.53 -0.06 0.00 -1.02 0.00 0.00 32.46 30.01 2r3u n ARG 146 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2r3u s ARG 147 N -1.12 4.12 -0.47 5.56 3.52 -1.01 -5.05 118.95 124.49 2r3u s ARG 147 Ca 0.45 0.33 -0.12 0.00 -0.13 0.00 0.00 55.73 56.26 2r3u s ARG 147 Cb 0.24 -3.34 0.10 0.00 -1.56 0.00 0.00 34.95 30.39 2r3u s ARG 147 CO 0.31 0.42 0.36 0.08 -0.81 0.00 0.00 175.30 175.66 2r3u s VAL 148 N -0.17 4.67 0.14 7.11 1.01 -1.26 -5.05 120.40 126.84 2r3u s VAL 148 Ca 0.22 -1.43 -0.32 0.00 0.00 0.00 0.00 61.98 60.46 2r3u s VAL 148 Cb -0.15 -3.91 -0.12 0.00 0.00 0.00 0.00 36.38 32.20 2r3u s VAL 148 CO 0.10 -0.66 1.76 -2.65 0.00 0.00 0.00 175.10 173.65 2r3u n PRO 149 N 5.05 2.64 -4.17 2.72 -0.02 -1.26 -4.98 135.00 134.98 2r3u n PRO 149 Ca -0.11 0.96 -0.30 0.00 -2.02 0.00 0.00 63.50 62.03 2r3u n PRO 149 Cb 0.42 -2.81 -0.09 0.00 -0.02 0.00 0.00 33.50 31.00 2r3u n PRO 149 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2r3u s HIS 150 N 2.05 2.88 -0.18 6.00 3.76 -1.26 -5.03 115.29 123.51 2r3u s HIS 150 Ca 0.80 -0.08 -0.29 0.00 -0.15 0.00 0.00 55.06 55.33 2r3u s HIS 150 Cb -0.54 -1.49 -0.02 0.00 1.11 0.00 0.00 32.58 31.64 2r3u s HIS 150 CO 0.37 0.46 1.48 0.42 -0.85 0.00 0.00 174.74 176.62 2r3u s ILE 151 N -1.28 3.89 0.00 0.60 1.01 -1.26 -2.35 121.20 121.81 2r3u s ILE 151 Ca 0.24 1.04 0.00 0.00 0.00 0.00 0.00 60.65 61.93 2r3u s ILE 151 Cb -0.11 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.56 2r3u s ILE 151 CO 0.16 -0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.48 2r3u n GLY 152 N 4.22 1.73 3.71 6.18 0.00 -0.43 -4.97 105.19 115.63 2r3u n GLY 152 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2r3u n GLY 152 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2r3u s ASP 153 N -1.97 6.54 0.21 1.61 1.01 -0.99 -4.57 116.67 118.51 2r3u s ASP 153 Ca 0.00 2.66 -0.32 0.00 0.71 0.00 0.00 52.55 55.60 2r3u s ASP 153 Cb 0.00 -2.59 -0.12 0.00 1.01 0.00 0.00 42.92 41.22 2r3u s ASP 153 CO 0.00 -0.88 1.67 0.52 0.21 0.00 0.00 175.17 176.69 2r3u n VAL 154 N 4.15 0.19 -4.16 -1.27 0.31 -1.26 -1.80 118.33 114.48 2r3u n VAL 154 Ca 0.15 -0.05 -0.16 0.00 -0.01 0.00 0.00 64.34 64.28 2r3u n VAL 154 Cb 0.38 -1.88 -0.11 0.00 -0.91 0.00 0.00 33.84 31.31 2r3u n VAL 154 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2r3u s VAL 155 N 0.91 0.94 -0.06 2.52 0.11 0.08 -3.64 120.40 121.25 2r3u s VAL 155 Ca 0.74 -1.42 0.03 0.00 -2.93 0.00 0.00 61.98 58.41 2r3u s VAL 155 Cb -0.54 -1.12 0.00 0.00 -1.53 0.00 0.00 36.38 33.19 2r3u s VAL 155 CO 0.36 -0.40 -0.16 -0.76 -3.33 0.00 0.00 175.10 170.81 2r3u s LEU 156 N -2.03 1.83 -0.19 2.54 1.43 0.14 -1.69 118.68 120.71 2r3u s LEU 156 Ca -0.00 -0.36 -0.08 0.00 -1.03 0.00 0.00 54.13 52.66 2r3u s LEU 156 Cb -0.07 -0.98 -0.04 0.00 0.03 0.00 0.00 46.19 45.13 2r3u s LEU 156 CO 0.01 0.10 0.08 0.00 0.23 0.00 0.00 176.35 176.77 2r3u s ALA 157 N 0.35 3.49 -0.17 4.21 0.00 0.61 -1.54 121.76 128.70 2r3u s ALA 157 Ca -0.11 -0.73 -0.00 0.00 0.00 0.00 0.00 51.96 51.12 2r3u s ALA 157 Cb -0.14 -1.98 0.00 0.00 0.00 0.00 0.00 23.12 21.00 2r3u s ALA 157 CO 0.04 0.18 -0.14 0.42 0.00 0.00 0.00 175.76 176.26 2r3u s ILE 158 N 0.34 2.70 0.00 0.00 1.01 -0.48 -1.77 121.20 123.00 2r3u s ILE 158 Ca 0.04 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.95 2r3u s ILE 158 Cb -0.12 -2.16 0.00 0.00 0.01 0.00 0.00 42.46 40.19 2r3u s ILE 158 CO -0.00 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.05 2r3u n GLY 159 N 4.28 2.35 2.47 6.18 0.00 -1.07 -2.33 105.19 117.07 2r3u n GLY 159 Ca -0.19 -0.86 -0.26 0.00 0.00 0.00 0.00 46.02 44.71 2r3u n GLY 159 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2r3u n ASN 160 N -0.42 1.83 -4.74 1.61 4.05 -1.07 -1.38 115.26 115.15 2r3u n ASN 160 Ca 0.00 -2.99 -0.42 0.00 0.45 0.00 0.00 54.58 51.63 2r3u n ASN 160 Cb 0.00 -0.66 -0.02 0.00 1.23 0.00 0.00 39.78 40.33 2r3u n ASN 160 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 177.26 171.37 2r3u s PRO 161 N -1.41 4.22 -0.25 1.20 0.02 -1.26 -2.99 135.00 134.54 2r3u s PRO 161 Ca 0.34 2.37 -0.03 0.00 0.02 0.00 0.00 61.00 63.70 2r3u s PRO 161 Cb 0.09 -3.10 0.03 0.00 0.02 0.00 0.00 34.50 31.54 2r3u s PRO 161 CO -0.11 -0.51 0.08 0.66 -0.33 0.00 0.00 177.00 176.78 2r3u n TYR 162 N 2.74 -1.80 -3.87 6.54 4.02 0.48 0.27 117.16 125.53 2r3u n TYR 162 Ca 0.09 0.09 -0.26 0.00 -0.01 0.00 0.00 57.90 57.81 2r3u n TYR 162 Cb 0.39 -1.07 0.01 0.00 -0.02 0.00 0.00 39.34 38.65 2r3u n TYR 162 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2r3u n ASN 163 N -1.56 -2.22 0.02 7.72 2.85 -1.16 -4.86 115.26 116.05 2r3u n ASN 163 Ca 0.02 -0.87 0.12 0.00 -0.11 0.00 0.00 54.58 53.73 2r3u n ASN 163 Cb 0.47 -3.64 0.17 0.00 1.24 0.00 0.00 39.78 38.02 2r3u n ASN 163 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2r3u n LEU 164 N -4.44 0.59 0.00 1.20 4.77 0.14 -5.05 117.00 114.21 2r3u n LEU 164 Ca -0.17 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 2r3u n LEU 164 Cb 0.62 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2r3u n LEU 164 CO 0.74 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 2r3u n GLY 165 N 1.44 2.60 3.68 -0.72 0.00 -1.26 -4.99 105.19 105.94 2r3u n GLY 165 Ca 0.04 -1.99 -0.46 0.00 0.00 0.00 0.00 46.02 43.62 2r3u n GLY 165 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2r3u n GLN 166 N 0.22 2.32 -4.26 1.61 7.27 -1.26 -4.37 117.38 118.91 2r3u n GLN 166 Ca 0.00 0.84 -0.18 0.00 0.07 0.00 0.00 57.00 57.73 2r3u n GLN 166 Cb 0.00 -2.66 -0.11 0.00 2.41 0.00 0.00 30.24 29.88 2r3u n GLN 166 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2r3u s THR 167 N 1.95 1.41 -0.09 1.69 -4.23 -0.48 -4.98 115.64 110.90 2r3u s THR 167 Ca 0.82 -1.79 0.04 0.00 -1.18 0.00 0.00 61.69 59.58 2r3u s THR 167 Cb -0.63 -1.61 0.00 0.00 1.34 0.00 0.00 72.50 71.59 2r3u s THR 167 CO 0.40 -0.43 -0.23 -0.63 -0.54 0.00 0.00 174.62 173.20 2r3u s ILE 168 N -2.23 1.94 0.03 2.99 -1.09 -1.26 -2.59 121.20 118.99 2r3u s ILE 168 Ca 0.11 -0.95 0.07 0.00 -2.23 0.00 0.00 60.65 57.64 2r3u s ILE 168 Cb -0.04 -1.68 -0.02 0.00 -1.58 0.00 0.00 42.46 39.13 2r3u s ILE 168 CO 0.03 0.53 -0.20 0.42 -1.23 0.00 0.00 174.94 174.50 2r3u s THR 169 N 0.36 1.60 -0.02 2.92 -4.23 -0.73 -4.95 115.64 110.59 2r3u s THR 169 Ca -0.18 -1.11 0.08 0.00 -1.18 0.00 0.00 61.69 59.30 2r3u s THR 169 Cb -0.18 -1.38 -0.02 0.00 1.34 0.00 0.00 72.50 72.26 2r3u s THR 169 CO 0.08 0.23 -0.26 0.00 -0.54 0.00 0.00 174.62 174.14 2r3u s GLN 170 N -1.03 2.14 0.00 3.99 1.03 -1.26 -0.28 119.66 124.24 2r3u s GLN 170 Ca 0.07 -0.93 0.00 0.00 0.04 0.00 0.00 55.36 54.54 2r3u s GLN 170 Cb -0.08 -2.05 0.00 0.00 0.03 0.00 0.00 33.01 30.91 2r3u s GLN 170 CO 0.01 0.55 0.00 0.41 -2.54 0.00 0.00 175.29 173.72 2r3u n GLY 171 N 2.48 3.53 3.41 2.60 0.00 -0.68 -4.64 105.19 111.90 2r3u n GLY 171 Ca -0.16 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 44.87 2r3u n GLY 171 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2r3u s ILE 172 N -1.91 0.47 -0.54 -0.61 -4.36 -1.26 -0.74 121.20 112.25 2r3u s ILE 172 Ca 0.00 -2.00 -0.26 0.00 -0.26 0.00 0.00 60.65 58.13 2r3u s ILE 172 Cb 0.00 -2.46 0.03 0.00 1.25 0.00 0.00 42.46 41.28 2r3u s ILE 172 CO 0.00 0.00 1.06 -0.63 0.24 0.00 0.00 174.94 175.61 2r3u s ILE 173 N -3.40 4.23 0.22 8.37 1.01 -0.74 -3.04 121.20 127.86 2r3u s ILE 173 Ca 0.31 0.69 0.05 0.00 0.00 0.00 0.00 60.65 61.70 2r3u s ILE 173 Cb 0.04 -4.61 -0.07 0.00 0.01 0.00 0.00 42.46 37.84 2r3u s ILE 173 CO 0.17 -1.16 1.52 0.28 0.00 0.00 0.00 174.94 175.76 2r3u h SER 174 N 9.36 0.22 -4.92 3.58 0.02 0.16 -1.14 113.55 120.84 2r3u h SER 174 Ca -0.25 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.55 2r3u h SER 174 Cb 1.07 -0.06 -0.15 0.00 0.14 0.00 0.00 62.40 63.39 2r3u h SER 174 CO 1.12 0.83 0.25 0.00 -1.14 0.00 0.00 176.83 177.89 2r3u s ALA 175 N -3.59 -1.69 -0.05 3.77 0.00 -0.60 -4.93 121.76 114.67 2r3u s ALA 175 Ca -0.03 0.83 0.11 0.00 0.00 0.00 0.00 51.96 52.87 2r3u s ALA 175 Cb 0.12 0.52 -0.17 0.00 0.00 0.00 0.00 23.12 23.58 2r3u s ALA 175 CO 0.80 -0.63 0.19 2.41 0.00 0.00 0.00 175.76 178.53 2r3u n THR 176 N 0.04 0.26 -3.89 0.00 -1.04 -1.26 -1.71 114.28 106.68 2r3u n THR 176 Ca -0.16 -0.34 0.01 0.00 -2.04 0.00 0.00 64.05 61.51 2r3u n THR 176 Cb 0.62 -0.09 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 2r3u n THR 176 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2r3u n GLY 177 N 1.98 0.52 3.20 3.41 0.00 -1.20 -4.45 105.19 108.64 2r3u n GLY 177 Ca -0.08 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 2r3u n GLY 177 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2r3u s ARG 178 N -2.00 0.55 -0.33 1.61 1.81 -0.11 -4.94 118.95 115.54 2r3u s ARG 178 Ca 0.09 -0.11 -0.10 0.00 -1.72 0.00 0.00 55.73 53.90 2r3u s ARG 178 Cb -0.00 0.25 0.01 0.00 -0.45 0.00 0.00 34.95 34.75 2r3u s ARG 178 CO -0.00 -0.14 0.16 0.42 -0.68 0.00 0.00 175.30 175.06 2r3u s ILE 179 N -1.01 4.50 0.00 1.52 -1.09 -1.26 -4.60 121.20 119.25 2r3u s ILE 179 Ca -0.11 -0.60 0.00 0.00 -2.23 0.00 0.00 60.65 57.71 2r3u s ILE 179 Cb -0.05 -3.37 0.00 0.00 -1.58 0.00 0.00 42.46 37.46 2r3u s ILE 179 CO 0.03 -0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.32 2r3u n GLY 180 N 4.97 -2.57 3.49 6.18 0.00 -1.26 -4.94 105.19 111.05 2r3u n GLY 180 Ca -0.13 -1.65 -0.44 0.00 0.00 0.00 0.00 46.02 43.80 2r3u n GLY 180 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2r3u n LEU 181 N 0.00 0.33 -3.56 0.99 4.77 -1.26 -4.93 117.00 113.34 2r3u n LEU 181 Ca 0.00 1.04 -0.06 0.00 -0.03 0.00 0.00 56.01 56.96 2r3u n LEU 181 Cb 0.00 -1.14 -0.02 0.00 -2.33 0.00 0.00 43.42 39.93 2r3u n LEU 181 CO 0.00 -2.42 0.80 0.54 -1.33 0.00 0.00 177.39 174.99 2r3u s ASN 182 N -0.83 -0.26 0.59 -1.43 2.20 -1.26 -5.04 114.94 108.91 2r3u s ASN 182 Ca 0.62 -0.06 0.29 0.00 -0.94 0.00 0.00 52.86 52.77 2r3u s ASN 182 Cb -0.70 0.32 1.46 0.00 -2.00 0.00 0.00 41.25 40.33 2r3u s ASN 182 CO 0.58 -0.53 1.87 -0.65 -2.94 0.00 0.00 177.10 175.44 2r3u h PRO 183 N 2.00 0.00 -0.01 3.55 0.11 -1.95 -1.02 132.00 134.68 2r3u h PRO 183 Ca -0.19 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.78 2r3u h PRO 183 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2r3u h PRO 183 CO 0.28 0.00 -0.64 1.15 -0.21 0.00 0.00 178.00 178.58 2r3u h THR 184 N 0.00 1.45 0.00 -1.15 2.02 -1.98 -3.46 112.91 109.79 2r3u h THR 184 Ca 0.22 -2.17 0.00 0.00 0.77 0.00 0.00 66.41 65.23 2r3u h THR 184 Cb 1.23 2.16 0.00 0.00 -1.74 0.00 0.00 68.15 69.80 2r3u h THR 184 CO -0.00 0.62 0.00 0.61 0.37 0.00 0.00 175.52 177.12 2r3u n GLY 185 N 0.31 1.89 3.52 2.16 0.00 -0.39 -4.99 105.19 107.70 2r3u n GLY 185 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 2r3u n GLY 185 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2r3u s ARG 186 N -0.13 1.85 -0.09 1.61 0.52 -1.26 -4.98 118.95 116.47 2r3u s ARG 186 Ca 0.00 -2.10 0.05 0.00 -0.52 0.00 0.00 55.73 53.16 2r3u s ARG 186 Cb 0.00 -0.81 -0.09 0.00 0.52 0.00 0.00 34.95 34.57 2r3u s ARG 186 CO 0.00 -0.35 -0.02 1.04 0.02 0.00 0.00 175.30 175.99 2r3u n GLN 187 N -0.86 1.77 -0.41 3.54 3.00 -1.26 -4.72 117.38 118.44 2r3u n GLN 187 Ca -0.06 0.02 0.07 0.00 -0.01 0.00 0.00 57.00 57.02 2r3u n GLN 187 Cb 0.66 -1.21 0.26 0.00 0.00 0.00 0.00 30.24 29.95 2r3u n GLN 187 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2r3u n ASN 188 N -2.49 3.44 -4.77 1.08 0.23 -1.26 -0.93 115.26 110.56 2r3u n ASN 188 Ca -0.15 -2.24 -0.40 0.00 -0.53 0.00 0.00 54.58 51.26 2r3u n ASN 188 Cb 0.74 -0.46 -0.03 0.00 -2.08 0.00 0.00 39.78 37.95 2r3u n ASN 188 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 2r3u s PHE 189 N -1.63 3.26 -0.28 -2.53 2.99 -1.26 -4.37 117.98 114.16 2r3u s PHE 189 Ca 0.37 1.56 -0.12 0.00 0.00 0.00 0.00 56.93 58.75 2r3u s PHE 189 Cb 0.23 -3.46 -0.05 0.00 0.00 0.00 0.00 43.02 39.75 2r3u s PHE 189 CO 0.20 -1.21 0.22 -1.17 -0.00 0.00 0.00 175.22 173.26 2r3u s LEU 190 N -1.82 4.06 -0.20 -0.37 0.20 -0.37 -3.28 118.68 116.90 2r3u s LEU 190 Ca 0.49 0.00 -0.09 0.00 0.69 0.00 0.00 54.13 55.22 2r3u s LEU 190 Cb -0.34 -2.17 -0.05 0.00 -0.43 0.00 0.00 46.19 43.20 2r3u s LEU 190 CO 0.45 -0.09 0.11 -1.58 -0.29 0.00 0.00 176.35 174.95 2r3u s GLN 191 N 1.81 4.11 0.14 1.98 0.74 -0.69 0.17 119.66 127.91 2r3u s GLN 191 Ca 0.08 -0.26 0.05 0.00 0.05 0.00 0.00 55.36 55.27 2r3u s GLN 191 Cb -0.16 -3.35 -0.04 0.00 1.10 0.00 0.00 33.01 30.55 2r3u s GLN 191 CO 0.11 0.28 -0.11 -0.08 -0.55 0.00 0.00 175.29 174.95 2r3u s THR 192 N 0.38 1.17 -0.30 -0.34 -1.32 0.12 0.88 115.64 116.24 2r3u s THR 192 Ca 0.06 -1.97 0.16 0.00 -1.21 0.00 0.00 61.69 58.73 2r3u s THR 192 Cb -0.12 -1.75 0.51 0.00 -1.51 0.00 0.00 72.50 69.63 2r3u s THR 192 CO -0.01 -0.69 1.41 -0.90 -2.21 0.00 0.00 174.62 172.22 2r3u n ASP 193 N -0.03 3.79 -4.66 8.08 5.75 -1.17 -0.75 116.55 127.57 2r3u n ASP 193 Ca -0.11 -2.86 -0.42 0.00 -0.01 0.00 0.00 54.79 51.39 2r3u n ASP 193 Cb 0.60 -0.50 -0.03 0.00 -1.03 0.00 0.00 41.12 40.15 2r3u n ASP 193 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2r3u s ALA 194 N -2.55 3.60 -0.39 2.12 0.00 -1.26 -4.66 121.76 118.63 2r3u s ALA 194 Ca 0.40 0.04 -0.35 0.00 0.00 0.00 0.00 51.96 52.05 2r3u s ALA 194 Cb 0.31 -3.35 -0.15 0.00 0.00 0.00 0.00 23.12 19.93 2r3u s ALA 194 CO 0.10 -0.85 1.51 0.43 0.00 0.00 0.00 175.76 176.94 2r3u n SER 195 N 5.78 0.70 -4.36 0.00 7.64 -1.26 -4.84 113.62 117.29 2r3u n SER 195 Ca 0.07 0.66 -0.32 0.00 1.01 0.00 0.00 58.87 60.29 2r3u n SER 195 Cb 0.48 -0.69 -0.15 0.00 -1.01 0.00 0.00 64.21 62.84 2r3u n SER 195 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2r3u s ILE 196 N 3.83 2.65 0.29 0.44 -1.09 -1.26 -4.79 121.20 121.28 2r3u s ILE 196 Ca 0.89 -0.84 0.03 0.00 -2.23 0.00 0.00 60.65 58.49 2r3u s ILE 196 Cb -1.16 -2.04 -0.04 0.00 -1.58 0.00 0.00 42.46 37.65 2r3u s ILE 196 CO 0.55 0.56 0.14 0.20 -1.23 0.00 0.00 174.94 175.16 2r3u s ASN 197 N -0.15 1.48 -0.01 3.58 0.01 -1.26 -4.94 114.94 113.65 2r3u s ASN 197 Ca -0.02 -1.51 -0.30 0.00 -0.71 0.00 0.00 52.86 50.32 2r3u s ASN 197 Cb -0.14 0.33 -0.08 0.00 0.41 0.00 0.00 41.25 41.77 2r3u s ASN 197 CO 0.04 -0.84 1.95 -1.00 -1.51 0.00 0.00 177.10 175.74 2r3u s HIS 198 N -3.64 1.36 0.00 2.20 3.76 -1.26 -1.04 115.29 116.67 2r3u s HIS 198 Ca 0.36 -0.26 0.00 0.00 -0.15 0.00 0.00 55.06 55.00 2r3u s HIS 198 Cb 0.06 -4.17 0.00 0.00 1.11 0.00 0.00 32.58 29.57 2r3u s HIS 198 CO 0.16 -5.18 0.00 0.41 -0.85 0.00 0.00 174.74 169.28 2r3u n GLY 199 N 4.64 2.12 0.18 -2.22 0.00 -1.26 -0.39 105.19 108.26 2r3u n GLY 199 Ca 0.21 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.30 2r3u n GLY 199 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2r3u h ASN 200 N 0.00 0.00 -2.01 1.61 2.35 -1.28 -2.83 115.58 113.41 2r3u h ASN 200 Ca 0.00 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 55.12 2r3u h ASN 200 Cb 0.00 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.41 2r3u h ASN 200 CO 0.00 0.24 0.81 -0.24 -1.65 0.00 0.00 177.43 176.59 2r3u n SER 201 N -3.16 2.80 0.00 5.81 2.88 -1.26 -0.74 113.62 119.95 2r3u n SER 201 Ca 0.03 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 2r3u n SER 201 Cb 0.63 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 2r3u n SER 201 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2r3u n GLY 202 N 3.54 2.56 0.00 0.46 0.00 -0.51 -0.37 105.19 110.86 2r3u n GLY 202 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2r3u n GLY 202 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r3u n GLY 203 N -2.00 -2.29 3.74 -0.02 0.00 0.09 -3.45 105.19 101.25 2r3u n GLY 203 Ca 0.00 -1.47 -0.28 0.00 0.00 0.00 0.00 46.02 44.26 2r3u n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r3u s ALA 204 N -3.10 3.42 -0.25 4.61 0.00 -0.98 -1.99 121.76 123.46 2r3u s ALA 204 Ca 0.00 -1.16 0.02 0.00 0.00 0.00 0.00 51.96 50.82 2r3u s ALA 204 Cb 0.00 -1.27 0.05 0.00 0.00 0.00 0.00 23.12 21.91 2r3u s ALA 204 CO 0.00 0.62 -0.11 -1.17 0.00 0.00 0.00 175.76 175.10 2r3u s LEU 205 N -2.66 3.32 0.30 0.00 0.20 0.19 -1.38 118.68 118.64 2r3u s LEU 205 Ca 0.28 -1.27 0.09 0.00 0.69 0.00 0.00 54.13 53.92 2r3u s LEU 205 Cb -0.11 -1.56 -0.06 0.00 -0.43 0.00 0.00 46.19 44.03 2r3u s LEU 205 CO 0.21 -0.17 -0.12 0.68 -0.29 0.00 0.00 176.35 176.66 2r3u s VAL 206 N 1.15 2.07 0.21 1.68 -7.23 -0.59 0.16 120.40 117.85 2r3u s VAL 206 Ca -0.07 -2.23 0.03 0.00 -1.81 0.00 0.00 61.98 57.90 2r3u s VAL 206 Cb -0.19 -2.44 0.04 0.00 0.56 0.00 0.00 36.38 34.35 2r3u s VAL 206 CO -0.06 -0.32 0.29 -0.46 -0.31 0.00 0.00 175.10 174.24 2r3u n ASN 207 N -0.65 0.67 0.00 4.85 0.23 -0.84 0.27 115.26 119.79 2r3u n ASN 207 Ca -0.05 -1.50 0.05 0.00 -0.53 0.00 0.00 54.58 52.55 2r3u n ASN 207 Cb 0.62 -0.16 0.27 0.00 -2.08 0.00 0.00 39.78 38.44 2r3u n ASN 207 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2r3u n SER 208 N -2.81 0.00 -0.34 0.53 3.41 -1.24 -1.07 113.62 112.10 2r3u n SER 208 Ca 0.06 -0.24 0.05 0.00 -0.26 0.00 0.00 58.87 58.48 2r3u n SER 208 Cb 0.20 -0.03 0.02 0.00 -0.26 0.00 0.00 64.21 64.14 2r3u n SER 208 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2r3u n LEU 209 N -1.03 1.56 0.00 1.04 4.77 -1.26 -4.11 117.00 117.97 2r3u n LEU 209 Ca 0.07 -0.87 0.00 0.00 -0.03 0.00 0.00 56.01 55.18 2r3u n LEU 209 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2r3u n LEU 209 CO 0.05 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2r3u n GLY 210 N 0.79 0.76 3.74 -0.72 0.00 -0.23 -4.72 105.19 104.81 2r3u n GLY 210 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2r3u n GLY 210 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2r3u s GLU 211 N -0.41 4.55 0.04 1.61 2.02 -1.26 -4.13 118.70 121.13 2r3u s GLU 211 Ca 0.00 1.79 -0.30 0.00 0.02 0.00 0.00 54.97 56.48 2r3u s GLU 211 Cb 0.00 -3.25 -0.08 0.00 0.10 0.00 0.00 34.13 30.90 2r3u s GLU 211 CO 0.00 0.01 1.64 -1.17 0.02 0.00 0.00 175.26 175.76 2r3u s LEU 212 N -0.41 4.36 -0.13 1.80 2.96 -0.21 -1.99 118.68 125.04 2r3u s LEU 212 Ca 0.50 2.42 0.17 0.00 -0.22 0.00 0.00 54.13 57.00 2r3u s LEU 212 Cb -0.31 -3.56 -0.24 0.00 0.50 0.00 0.00 46.19 42.58 2r3u s LEU 212 CO 0.36 -0.88 0.16 0.23 -1.32 0.00 0.00 176.35 174.91 2r3u n MET 213 N 5.89 0.94 0.00 1.98 2.81 0.41 -4.77 117.12 124.38 2r3u n MET 213 Ca 0.16 -0.06 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 2r3u n MET 213 Cb 0.41 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.46 2r3u n MET 213 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2r3u n GLY 214 N 1.76 -0.19 3.38 3.03 0.00 -0.97 -2.69 105.19 109.50 2r3u n GLY 214 Ca -0.22 -1.01 -0.38 0.00 0.00 0.00 0.00 46.02 44.41 2r3u n GLY 214 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r3u s ILE 215 N -2.00 4.18 0.58 -0.61 -1.09 0.27 -0.63 121.20 121.89 2r3u s ILE 215 Ca 0.00 -0.59 -0.19 0.00 -2.23 0.00 0.00 60.65 57.64 2r3u s ILE 215 Cb 0.00 -3.14 -0.06 0.00 -1.58 0.00 0.00 42.46 37.68 2r3u s ILE 215 CO 0.00 0.08 0.99 0.59 -1.23 0.00 0.00 174.94 175.37 2r3u n ASN 216 N 4.91 0.94 -2.26 3.58 5.03 -0.84 -0.38 115.26 126.24 2r3u n ASN 216 Ca -0.14 0.84 -0.09 0.00 0.87 0.00 0.00 54.58 56.06 2r3u n ASN 216 Cb 0.48 -1.40 -0.03 0.00 -1.02 0.00 0.00 39.78 37.82 2r3u n ASN 216 CO 0.00 0.00 0.00 1.07 -1.83 0.00 0.00 177.26 176.50 2r3u n THR 217 N -1.53 0.00 -1.49 3.41 5.66 -0.55 -1.43 114.28 118.35 2r3u n THR 217 Ca 0.13 -0.91 -0.48 0.00 -3.05 0.00 0.00 64.05 59.75 2r3u n THR 217 Cb 0.46 0.35 -0.03 0.00 -1.55 0.00 0.00 70.33 69.57 2r3u n THR 217 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2r3u n LEU 218 N 0.00 0.17 -4.79 1.09 -0.00 -1.26 -4.56 117.00 107.65 2r3u n LEU 218 Ca -0.01 1.15 -0.34 0.00 -0.00 0.00 0.00 56.01 56.81 2r3u n LEU 218 Cb 0.23 -1.09 -0.01 0.00 -0.00 0.00 0.00 43.42 42.55 2r3u n LEU 218 CO 0.12 -2.19 0.73 -0.44 -0.00 0.00 0.00 177.39 175.62 2r3u s SER 219 N -0.67 5.93 -0.53 1.45 0.01 -1.26 -4.56 113.70 114.07 2r3u s SER 219 Ca 0.65 1.96 -0.16 0.00 1.31 0.00 0.00 55.95 59.72 2r3u s SER 219 Cb -0.87 -2.56 0.12 0.00 0.21 0.00 0.00 66.02 62.92 2r3u s SER 219 CO 0.57 -1.07 0.48 0.12 0.41 0.00 0.00 173.24 173.75 2r3u s PHE 220 N -2.09 3.25 -0.54 2.43 5.99 -1.26 -4.96 117.98 120.80 2r3u s PHE 220 Ca 0.68 -1.22 0.07 0.00 0.00 0.00 0.00 56.93 56.46 2r3u s PHE 220 Cb -0.18 -3.67 0.31 0.00 0.00 0.00 0.00 43.02 39.47 2r3u s PHE 220 CO 0.28 -0.98 0.82 -0.25 -0.00 0.00 0.00 175.22 175.10 2r3u n ASP 221 N 5.24 3.26 -3.87 6.13 10.43 -1.26 -4.56 116.55 131.92 2r3u n ASP 221 Ca -0.14 -3.41 0.00 0.00 2.57 0.00 0.00 54.79 53.81 2r3u n ASP 221 Cb 0.41 -0.61 0.00 0.00 1.84 0.00 0.00 41.12 42.76 2r3u n ASP 221 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 2r3u n LYS 222 N 0.27 1.95 -0.35 -1.24 4.01 -1.26 -4.94 118.16 116.60 2r3u n LYS 222 Ca 0.29 0.00 -0.04 0.00 -0.51 0.00 0.00 58.31 58.05 2r3u n LYS 222 Cb 0.46 0.00 0.09 0.00 -0.51 0.00 0.00 35.03 35.06 2r3u n LYS 222 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2r3u n ASP 225 N 0.00 2.95 0.00 4.39 9.92 -1.26 -4.73 116.55 127.81 2r3u n ASP 225 Ca 0.00 -2.43 0.00 0.00 -0.53 0.00 0.00 54.79 51.83 2r3u n ASP 225 Cb 0.00 -0.59 0.00 0.00 -0.64 0.00 0.00 41.12 39.89 2r3u n ASP 225 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2r3u n GLY 226 N 0.07 -0.30 3.22 0.44 0.00 -1.26 -5.16 105.19 102.20 2r3u n GLY 226 Ca 0.15 -0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 2r3u n GLY 226 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2r3u s GLU 227 N -1.65 0.74 -0.16 1.61 -1.05 -1.26 -5.13 118.70 111.80 2r3u s GLU 227 Ca 0.00 -0.49 -0.29 0.00 -0.15 0.00 0.00 54.97 54.04 2r3u s GLU 227 Cb 0.00 0.32 -0.06 0.00 -0.44 0.00 0.00 34.13 33.94 2r3u s GLU 227 CO 0.00 -0.22 2.17 -2.37 0.95 0.00 0.00 175.26 175.79 2r3u n THR 228 N 0.75 0.44 -2.44 1.83 5.66 -1.26 -4.60 114.28 114.67 2r3u n THR 228 Ca -0.19 -0.39 -0.36 0.00 -3.05 0.00 0.00 64.05 60.06 2r3u n THR 228 Cb 0.59 -2.50 -0.03 0.00 -1.55 0.00 0.00 70.33 66.84 2r3u n THR 228 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 2r3u s PRO 229 N 5.92 3.85 -0.02 1.09 0.04 -1.26 -5.02 135.00 139.59 2r3u s PRO 229 Ca 0.98 1.54 0.07 0.00 0.04 0.00 0.00 61.00 63.63 2r3u s PRO 229 Cb -0.36 -2.30 -0.02 0.00 0.04 0.00 0.00 34.50 31.86 2r3u s PRO 229 CO 0.37 -0.42 -0.24 -2.00 0.04 0.00 0.00 177.00 174.75 2r3u s GLU 230 N -2.88 2.02 -1.27 4.56 2.12 -1.26 -4.75 118.70 117.24 2r3u s GLU 230 Ca 0.64 -0.86 -0.01 0.00 0.36 0.00 0.00 54.97 55.11 2r3u s GLU 230 Cb -0.22 -1.91 0.00 0.00 0.26 0.00 0.00 34.13 32.26 2r3u s GLU 230 CO 0.27 0.49 0.08 0.41 -0.54 0.00 0.00 175.26 175.96 2r3u n GLY 231 N 2.58 -0.25 2.98 -1.50 0.00 -1.26 -4.99 105.19 102.74 2r3u n GLY 231 Ca -0.16 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 2r3u n GLY 231 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r3u s ILE 232 N -2.80 1.92 0.08 -0.61 -1.09 -1.26 -3.95 121.20 113.49 2r3u s ILE 232 Ca 0.04 -1.85 0.01 0.00 -2.23 0.00 0.00 60.65 56.62 2r3u s ILE 232 Cb -0.02 -2.29 -0.04 0.00 -1.58 0.00 0.00 42.46 38.53 2r3u s ILE 232 CO 0.05 -0.39 -0.06 -0.83 -1.23 0.00 0.00 174.94 172.48 2r3u s GLY 233 N 1.14 0.66 0.15 6.18 0.00 0.07 -4.04 107.32 111.47 2r3u s GLY 233 Ca 0.03 -1.23 0.06 0.00 0.00 0.00 0.00 44.72 43.58 2r3u s GLY 233 CO -0.09 -1.33 -0.13 -1.36 0.00 0.00 0.00 173.10 170.19 2r3u s PHE 234 N -3.37 1.42 0.04 1.90 0.40 -1.26 -0.70 117.98 116.40 2r3u s PHE 234 Ca 0.08 -0.63 -0.05 0.00 -0.60 0.00 0.00 56.93 55.72 2r3u s PHE 234 Cb 0.04 -0.71 -0.01 0.00 0.51 0.00 0.00 43.02 42.84 2r3u s PHE 234 CO -0.05 0.17 0.09 0.00 0.70 0.00 0.00 175.22 176.13 2r3u s ALA 235 N -2.71 -0.05 -0.14 5.36 0.00 0.13 -1.48 121.76 122.87 2r3u s ALA 235 Ca 0.14 -0.57 -0.16 0.00 0.00 0.00 0.00 51.96 51.37 2r3u s ALA 235 Cb -0.02 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 2r3u s ALA 235 CO 0.03 -0.32 0.39 0.42 0.00 0.00 0.00 175.76 176.27 2r3u s ILE 236 N -2.68 5.25 0.26 0.00 1.01 0.49 -1.24 121.20 124.29 2r3u s ILE 236 Ca -0.04 0.75 -0.29 0.00 0.00 0.00 0.00 60.65 61.07 2r3u s ILE 236 Cb -0.01 -3.73 -0.14 0.00 0.01 0.00 0.00 42.46 38.59 2r3u s ILE 236 CO -0.05 0.36 1.04 -2.65 0.00 0.00 0.00 174.94 173.63 2r3u n PRO 237 N 3.64 1.29 0.10 2.79 -0.02 -1.26 -0.57 135.00 140.96 2r3u n PRO 237 Ca -0.09 0.45 0.03 0.00 -2.02 0.00 0.00 63.50 61.87 2r3u n PRO 237 Cb 0.52 -1.84 0.40 0.00 -0.02 0.00 0.00 33.50 32.55 2r3u n PRO 237 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2r3u h PHE 238 N 2.31 0.30 -0.05 6.00 -5.15 -1.81 -1.81 116.94 116.72 2r3u h PHE 238 Ca -0.40 -0.02 -0.03 0.00 -0.20 0.00 0.00 57.97 57.31 2r3u h PHE 238 Cb 1.34 -0.09 -0.01 0.00 0.22 0.00 0.00 35.95 37.42 2r3u h PHE 238 CO 0.49 0.36 -0.12 1.96 -2.00 0.00 0.00 178.31 179.00 2r3u h GLN 239 N 0.28 0.08 0.05 6.09 7.50 -1.89 -0.60 115.11 126.63 2r3u h GLN 239 Ca 0.06 -0.01 -0.24 0.00 0.50 0.00 0.00 58.65 58.95 2r3u h GLN 239 Cb 0.29 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.79 2r3u h GLN 239 CO 0.01 0.20 -1.17 1.25 -1.50 0.00 0.00 178.83 177.63 2r3u h LEU 240 N 0.08 0.18 -0.40 1.46 7.12 -1.70 -3.15 115.31 118.89 2r3u h LEU 240 Ca 0.02 -0.20 -0.16 0.00 0.13 0.00 0.00 57.88 57.66 2r3u h LEU 240 Cb 0.26 -0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 40.31 2r3u h LEU 240 CO 0.02 1.16 -0.78 0.00 -0.13 0.00 0.00 178.44 178.71 2r3u h ALA 241 N 0.82 0.69 -0.08 1.25 0.00 -0.91 -2.06 119.26 118.96 2r3u h ALA 241 Ca -0.09 -0.71 -0.14 0.00 0.00 0.00 0.00 54.91 53.97 2r3u h ALA 241 Cb 1.87 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 2r3u h ALA 241 CO 0.15 0.97 -0.59 1.15 0.00 0.00 0.00 179.25 180.94 2r3u h THR 242 N 0.00 1.38 0.52 0.00 2.02 -1.20 -0.98 112.91 114.64 2r3u h THR 242 Ca -0.01 -1.94 -0.03 0.00 0.77 0.00 0.00 66.41 65.21 2r3u h THR 242 Cb 1.40 1.97 0.01 0.00 -1.74 0.00 0.00 68.15 69.78 2r3u h THR 242 CO 0.10 0.58 -0.25 0.11 0.37 0.00 0.00 175.52 176.43 2r3u h LYS 243 N 0.20 -0.67 -0.30 6.66 1.57 -1.49 -3.02 116.57 119.52 2r3u h LYS 243 Ca -0.00 0.05 0.09 0.00 -1.87 0.00 0.00 60.65 58.91 2r3u h LYS 243 Cb 1.09 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 2r3u h LYS 243 CO 0.09 -0.45 0.29 0.82 -0.57 0.00 0.00 179.45 179.64 2r3u h ILE 244 N -1.14 0.52 0.39 1.86 1.08 -1.40 -1.54 117.51 117.27 2r3u h ILE 244 Ca -0.07 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.38 2r3u h ILE 244 Cb 0.53 0.78 0.00 0.00 -3.07 0.00 0.00 36.82 35.06 2r3u h ILE 244 CO 0.12 0.00 -0.19 -0.03 -0.69 0.00 0.00 178.15 177.36 2r3u h MET 245 N 0.00 -0.51 -0.92 2.37 4.05 -1.20 -2.50 114.93 116.23 2r3u h MET 245 Ca 0.14 0.03 0.21 0.00 -0.28 0.00 0.00 59.70 59.80 2r3u h MET 245 Cb 0.72 0.12 -0.12 0.00 -0.80 0.00 0.00 31.60 31.52 2r3u h MET 245 CO -0.00 -0.34 0.47 -0.44 0.23 0.00 0.00 176.91 176.83 2r3u h ASP 246 N -0.96 0.49 0.21 1.39 3.32 -1.32 -0.02 116.42 119.53 2r3u h ASP 246 Ca -0.05 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 2r3u h ASP 246 Cb 0.40 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2r3u h ASP 246 CO 0.09 0.10 -0.10 0.11 -1.72 0.00 0.00 179.24 177.71 2r3u h LYS 247 N 0.52 -0.28 0.00 3.56 1.57 -1.35 0.38 116.57 120.98 2r3u h LYS 247 Ca 0.56 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.36 2r3u h LYS 247 Cb 0.99 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2r3u h LYS 247 CO -0.47 -0.14 0.00 -0.07 -0.57 0.00 0.00 179.45 178.21 2r3u h LEU 248 N -0.34 0.00 0.00 2.94 3.38 -0.83 -1.34 115.31 119.11 2r3u h LEU 248 Ca -0.03 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2r3u h LEU 248 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2r3u h LEU 248 CO 0.05 0.00 -0.43 0.40 0.09 0.00 0.00 178.44 178.55 2r3u h ILE 249 N 0.00 0.60 0.00 1.22 2.04 -0.18 -3.34 117.51 117.85 2r3u h ILE 249 Ca 0.00 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.29 2r3u h ILE 249 Cb 0.25 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 2r3u h ILE 249 CO 0.00 0.20 0.00 -2.11 0.00 0.00 0.00 178.15 176.24 2r3u n ARG 250 N -4.62 0.67 -0.62 2.37 1.85 0.12 -2.36 116.66 114.08 2r3u n ARG 250 Ca -0.12 0.00 0.03 0.00 -1.00 0.00 0.00 57.85 56.76 2r3u n ARG 250 Cb 0.34 -1.24 0.25 0.00 -1.05 0.00 0.00 32.46 30.75 2r3u n ARG 250 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2r3u n ASP 251 N -0.74 3.57 0.00 2.89 9.92 -0.52 -5.05 116.55 126.63 2r3u n ASP 251 Ca 0.08 -3.27 0.00 0.00 -0.53 0.00 0.00 54.79 51.07 2r3u n ASP 251 Cb 0.04 -0.60 0.00 0.00 -0.64 0.00 0.00 41.12 39.92 2r3u n ASP 251 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94