#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dd5 n SER 32 N 0.00 0.88 -0.57 1.69 3.41 -1.26 -3.93 113.62 113.84 3dd5 n SER 32 Ca 0.00 -1.67 0.12 0.00 -0.26 0.00 0.00 58.87 57.06 3dd5 n SER 32 Cb 0.00 -0.42 0.42 0.00 -0.26 0.00 0.00 64.21 63.95 3dd5 n SER 32 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3dd5 n SER 33 N 0.10 1.73 -3.97 4.04 7.64 -1.26 -4.68 113.62 117.21 3dd5 n SER 33 Ca 0.00 -1.65 -0.31 0.00 1.01 0.00 0.00 58.87 57.92 3dd5 n SER 33 Cb 0.21 -0.07 -0.15 0.00 -1.01 0.00 0.00 64.21 63.20 3dd5 n SER 33 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3dd5 s THR 34 N -1.87 1.80 -0.13 0.44 2.01 -1.25 -1.46 115.64 115.18 3dd5 s THR 34 Ca 0.35 -1.56 0.01 0.00 0.31 0.00 0.00 61.69 60.79 3dd5 s THR 34 Cb 0.19 -2.09 -0.01 0.00 0.01 0.00 0.00 72.50 70.60 3dd5 s THR 34 CO 0.30 -0.22 -0.15 -0.13 -0.69 0.00 0.00 174.62 173.72 3dd5 s ARG 35 N 1.24 3.32 -0.30 4.92 1.81 -1.26 -4.99 118.95 123.68 3dd5 s ARG 35 Ca -0.02 -0.72 0.17 0.00 -1.72 0.00 0.00 55.73 53.44 3dd5 s ARG 35 Cb -0.19 -2.57 0.48 0.00 -0.45 0.00 0.00 34.95 32.22 3dd5 s ARG 35 CO -0.08 0.20 1.07 0.09 -0.68 0.00 0.00 175.30 175.91 3dd5 n ASN 36 N 3.54 2.33 0.20 0.23 3.02 -1.24 -2.49 115.26 120.85 3dd5 n ASN 36 Ca -0.18 -2.66 0.09 0.00 -0.03 0.00 0.00 54.58 51.80 3dd5 n ASN 36 Cb 0.53 -0.47 0.17 0.00 -0.61 0.00 0.00 39.78 39.39 3dd5 n ASN 36 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3dd5 h GLU 37 N 2.67 0.00 -0.00 3.52 5.08 -1.56 -1.67 114.58 122.61 3dd5 h GLU 37 Ca -0.01 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.19 3dd5 h GLU 37 Cb 1.25 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.51 3dd5 h GLU 37 CO 0.43 0.18 -0.64 1.25 -1.00 0.00 0.00 179.01 179.23 3dd5 h LEU 38 N 0.00 0.57 -0.74 1.33 5.85 -1.87 -1.57 115.31 118.89 3dd5 h LEU 38 Ca -0.00 -0.75 0.01 0.00 0.84 0.00 0.00 57.88 57.97 3dd5 h LEU 38 Cb 1.08 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.90 3dd5 h LEU 38 CO 0.02 1.25 0.49 -0.33 -0.34 0.00 0.00 178.44 179.53 3dd5 h GLU 39 N -0.05 0.96 -0.02 1.25 4.39 -1.86 -3.18 114.58 116.08 3dd5 h GLU 39 Ca -0.08 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.56 3dd5 h GLU 39 Cb 1.34 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 3dd5 h GLU 39 CO 0.13 0.64 -0.25 0.25 -1.16 0.00 0.00 179.01 178.62 3dd5 n THR 40 N -4.58 0.00 -2.59 1.13 -2.24 -0.66 -4.98 114.28 100.36 3dd5 n THR 40 Ca 0.07 -0.38 -0.39 0.00 -2.27 0.00 0.00 64.05 61.08 3dd5 n THR 40 Cb 0.02 1.33 -0.05 0.00 -2.10 0.00 0.00 70.33 69.53 3dd5 n THR 40 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3dd5 s GLY 41 N -2.09 2.99 0.24 3.38 0.00 -0.59 -5.02 107.32 106.23 3dd5 s GLY 41 Ca 0.21 0.75 -0.22 0.00 0.00 0.00 0.00 44.72 45.46 3dd5 s GLY 41 CO 0.41 1.29 0.78 -0.45 0.00 0.00 0.00 173.10 175.14 3dd5 s SER 42 N -1.16 7.15 0.59 1.64 0.15 -1.26 -4.95 113.70 115.85 3dd5 s SER 42 Ca 0.47 1.53 0.39 0.00 0.70 0.00 0.00 55.95 59.04 3dd5 s SER 42 Cb -0.27 -2.46 2.11 0.00 -1.71 0.00 0.00 66.02 63.69 3dd5 s SER 42 CO 0.34 0.03 2.21 0.77 1.20 0.00 0.00 173.24 177.79 3dd5 h SER 43 N 3.45 0.00 -0.23 5.45 4.64 -1.96 -1.88 113.55 123.02 3dd5 h SER 43 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3dd5 h SER 43 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3dd5 h SER 43 CO 0.65 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.07 3dd5 n SER 44 N -2.91 2.85 -3.18 4.97 3.41 -1.26 -4.30 113.62 113.19 3dd5 n SER 44 Ca -0.02 -1.84 -0.25 0.00 -0.26 0.00 0.00 58.87 56.50 3dd5 n SER 44 Cb 0.08 -0.14 -0.06 0.00 -0.26 0.00 0.00 64.21 63.83 3dd5 n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dd5 n ALA 45 N 1.03 3.68 -2.58 7.33 0.00 -0.71 -5.11 120.51 124.16 3dd5 n ALA 45 Ca 0.13 -4.31 -0.42 0.00 0.00 0.00 0.00 53.44 48.84 3dd5 n ALA 45 Cb 0.47 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 19.06 3dd5 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dd5 s PRO 47 N 2.03 1.34 0.28 0.00 0.04 -1.26 -4.95 135.00 132.47 3dd5 s PRO 47 Ca 0.52 0.08 0.01 0.00 0.04 0.00 0.00 61.00 61.65 3dd5 s PRO 47 Cb -0.22 -1.88 0.41 0.00 0.04 0.00 0.00 34.50 32.85 3dd5 s PRO 47 CO 0.21 -2.02 1.77 -0.22 0.04 0.00 0.00 177.00 176.78 3dd5 h LYS 48 N -1.36 0.64 -4.54 4.56 3.64 -1.80 -3.42 116.57 114.28 3dd5 h LYS 48 Ca -0.47 -0.18 -0.40 0.00 -1.27 0.00 0.00 60.65 58.32 3dd5 h LYS 48 Cb 1.31 -0.07 -0.30 0.00 -0.41 0.00 0.00 32.23 32.76 3dd5 h LYS 48 CO 0.59 0.72 -0.78 0.08 -2.27 0.00 0.00 179.45 177.79 3dd5 s VAL 49 N -4.83 0.70 -0.17 2.00 1.01 -0.88 -1.89 120.40 116.34 3dd5 s VAL 49 Ca -0.08 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.58 3dd5 s VAL 49 Cb 0.14 -0.61 0.01 0.00 0.00 0.00 0.00 36.38 35.92 3dd5 s VAL 49 CO 0.80 0.22 -0.19 -0.63 0.00 0.00 0.00 175.10 175.29 3dd5 s ILE 50 N 0.11 2.17 -0.23 2.22 1.01 0.05 -0.26 121.20 126.26 3dd5 s ILE 50 Ca -0.01 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 59.72 3dd5 s ILE 50 Cb -0.07 -1.90 0.03 0.00 0.01 0.00 0.00 42.46 40.54 3dd5 s ILE 50 CO 0.00 0.54 -0.12 -0.47 0.00 0.00 0.00 174.94 174.88 3dd5 s TYR 51 N 1.13 3.03 -0.14 3.97 5.04 0.11 -1.29 117.35 129.19 3dd5 s TYR 51 Ca 0.01 -1.82 -0.02 0.00 -2.44 0.00 0.00 57.07 52.80 3dd5 s TYR 51 Cb -0.14 -1.97 -0.02 0.00 0.35 0.00 0.00 41.96 40.18 3dd5 s TYR 51 CO -0.08 -0.80 -0.09 0.42 -1.34 0.00 0.00 175.55 173.65 3dd5 s ILE 52 N 1.25 3.39 0.02 3.14 1.01 -1.01 -0.29 121.20 128.71 3dd5 s ILE 52 Ca -0.01 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.13 3dd5 s ILE 52 Cb -0.16 -2.46 -0.01 0.00 0.01 0.00 0.00 42.46 39.84 3dd5 s ILE 52 CO -0.08 0.51 -0.07 0.12 0.00 0.00 0.00 174.94 175.42 3dd5 s PHE 53 N 0.38 0.62 -0.11 3.97 5.36 -0.08 -0.79 117.98 127.34 3dd5 s PHE 53 Ca -0.08 -0.30 0.01 0.00 -0.96 0.00 0.00 56.93 55.60 3dd5 s PHE 53 Cb -0.15 -0.38 0.02 0.00 -0.34 0.00 0.00 43.02 42.16 3dd5 s PHE 53 CO 0.04 -0.04 -0.14 0.00 -1.46 0.00 0.00 175.22 173.62 3dd5 s ALA 54 N -0.77 1.63 0.77 11.12 0.00 -0.98 -0.94 121.76 132.59 3dd5 s ALA 54 Ca -0.04 -0.70 -0.08 0.00 0.00 0.00 0.00 51.96 51.14 3dd5 s ALA 54 Cb -0.06 -0.84 0.10 0.00 0.00 0.00 0.00 23.12 22.32 3dd5 s ALA 54 CO 0.00 -0.12 1.09 -0.98 0.00 0.00 0.00 175.76 175.75 3dd5 s ARG 55 N 1.07 1.83 0.86 0.00 1.70 -1.26 -1.49 118.95 121.67 3dd5 s ARG 55 Ca -0.05 -0.33 -0.12 0.00 -0.47 0.00 0.00 55.73 54.76 3dd5 s ARG 55 Cb -0.15 -2.10 0.11 0.00 -0.57 0.00 0.00 34.95 32.24 3dd5 s ARG 55 CO -0.03 -1.52 1.13 0.00 -1.08 0.00 0.00 175.30 173.81 3dd5 s ALA 56 N -3.39 2.06 0.50 7.88 0.00 -0.95 -2.18 121.76 125.67 3dd5 s ALA 56 Ca 0.63 -0.46 -0.23 0.00 0.00 0.00 0.00 51.96 51.91 3dd5 s ALA 56 Cb -0.09 -3.04 -0.07 0.00 0.00 0.00 0.00 23.12 19.92 3dd5 s ALA 56 CO 0.47 -2.02 1.25 0.43 0.00 0.00 0.00 175.76 175.89 3dd5 n SER 57 N -3.59 2.28 0.00 0.00 7.64 -1.26 -2.98 113.62 115.72 3dd5 n SER 57 Ca 0.07 1.01 0.00 0.00 1.01 0.00 0.00 58.87 60.95 3dd5 n SER 57 Cb 0.59 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 3dd5 n SER 57 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3dd5 n THR 58 N -0.79 0.00 -1.58 0.44 -2.24 0.17 -4.97 114.28 105.31 3dd5 n THR 58 Ca 0.09 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.47 3dd5 n THR 58 Cb 0.43 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.68 3dd5 n THR 58 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3dd5 n GLU 59 N -1.13 1.12 -1.66 -0.78 1.02 -1.16 -4.99 120.64 113.06 3dd5 n GLU 59 Ca 0.00 0.41 -0.30 0.00 -0.02 0.00 0.00 57.16 57.24 3dd5 n GLU 59 Cb 0.00 -1.96 0.07 0.00 -0.02 0.00 0.00 31.44 29.53 3dd5 n GLU 59 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3dd5 s PRO 60 N -2.05 2.54 3.90 3.49 0.04 -1.26 -4.85 135.00 136.81 3dd5 s PRO 60 Ca 0.65 0.66 0.00 0.00 0.04 0.00 0.00 61.00 62.35 3dd5 s PRO 60 Cb -0.54 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.03 3dd5 s PRO 60 CO 0.56 -1.30 0.00 0.41 0.04 0.00 0.00 177.00 176.70 3dd5 n GLY 61 N -2.36 0.83 0.00 0.56 0.00 -1.26 -2.17 105.19 100.79 3dd5 n GLY 61 Ca 0.07 -0.70 0.04 0.00 0.00 0.00 0.00 46.02 45.43 3dd5 n GLY 61 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3dd5 n ASN 62 N -1.78 0.77 -0.02 1.61 6.94 -0.53 -4.69 115.26 117.56 3dd5 n ASN 62 Ca 0.00 -0.61 0.02 0.00 -0.02 0.00 0.00 54.58 53.98 3dd5 n ASN 62 Cb 0.00 1.06 -0.10 0.00 -2.36 0.00 0.00 39.78 38.38 3dd5 n ASN 62 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 3dd5 n MET 63 N -1.30 0.93 0.00 -3.83 2.81 -0.56 -3.53 117.12 111.65 3dd5 n MET 63 Ca 0.01 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 3dd5 n MET 63 Cb 0.15 -1.31 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 3dd5 n MET 63 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dd5 n GLY 64 N 1.92 -1.05 0.00 3.03 0.00 -0.92 -3.98 105.19 104.18 3dd5 n GLY 64 Ca -0.08 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.75 3dd5 n GLY 64 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3dd5 n ILE 65 N -0.33 0.19 0.00 -0.61 -6.64 -1.26 -4.57 119.36 106.14 3dd5 n ILE 65 Ca 0.00 -0.38 0.00 0.00 -1.77 0.00 0.00 62.75 60.60 3dd5 n ILE 65 Cb 0.00 1.19 0.00 0.00 -1.44 0.00 0.00 39.64 39.39 3dd5 n ILE 65 CO 0.00 0.00 0.00 -1.54 -1.77 0.00 0.00 176.55 173.24 3dd5 n SER 66 N -0.10 0.00 -0.19 7.28 3.41 -1.26 -4.85 113.62 117.91 3dd5 n SER 66 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3dd5 n SER 66 Cb 0.20 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.25 3dd5 n SER 66 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dd5 h ALA 67 N -0.43 0.71 -0.40 7.33 0.00 -1.92 -3.16 119.26 121.38 3dd5 h ALA 67 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3dd5 h ALA 67 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3dd5 h ALA 67 CO 0.00 -0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.37 3dd5 n GLY 68 N -1.31 -2.86 0.30 0.00 0.00 -1.26 -2.15 105.19 97.91 3dd5 n GLY 68 Ca 0.09 0.31 0.14 0.00 0.00 0.00 0.00 46.02 46.56 3dd5 n GLY 68 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3dd5 h PRO 69 N 0.00 0.00 -0.07 1.61 0.11 -1.75 -0.59 132.00 131.31 3dd5 h PRO 69 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 3dd5 h PRO 69 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 3dd5 h PRO 69 CO 0.00 0.00 -0.03 0.82 -0.21 0.00 0.00 178.00 178.58 3dd5 h ILE 70 N 0.00 1.32 -0.43 4.15 2.04 -1.48 -0.30 117.51 122.81 3dd5 h ILE 70 Ca 0.03 -1.01 -0.11 0.00 1.00 0.00 0.00 64.86 64.77 3dd5 h ILE 70 Cb 0.17 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 3dd5 h ILE 70 CO -0.00 0.28 -0.18 0.58 0.00 0.00 0.00 178.15 178.83 3dd5 h VAL 71 N -0.22 1.28 -0.62 1.67 2.07 -1.05 -1.66 116.25 117.71 3dd5 h VAL 71 Ca 0.02 -1.32 0.12 0.00 0.82 0.00 0.00 66.70 66.34 3dd5 h VAL 71 Cb 0.46 1.22 -0.12 0.00 -1.52 0.00 0.00 31.29 31.33 3dd5 h VAL 71 CO 0.01 0.45 -0.21 0.00 0.02 0.00 0.00 177.57 177.83 3dd5 h ALA 72 N 0.84 0.29 -0.35 1.67 0.00 -1.07 -1.68 119.26 118.96 3dd5 h ALA 72 Ca 0.10 0.22 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 3dd5 h ALA 72 Cb 0.74 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3dd5 h ALA 72 CO 0.06 -0.50 0.00 -0.44 0.00 0.00 0.00 179.25 178.37 3dd5 h ASP 73 N -0.05 0.60 0.04 0.00 3.32 -0.80 -2.33 116.42 117.20 3dd5 h ASP 73 Ca 0.29 -0.30 0.03 0.00 0.02 0.00 0.00 57.03 57.06 3dd5 h ASP 73 Cb 0.50 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 3dd5 h ASP 73 CO -0.66 0.76 -0.24 0.00 -1.72 0.00 0.00 179.24 177.37 3dd5 h ALA 74 N 0.86 -0.36 -0.71 3.45 0.00 -0.84 -0.96 119.26 120.70 3dd5 h ALA 74 Ca 0.10 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3dd5 h ALA 74 Cb 0.45 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 3dd5 h ALA 74 CO 0.02 -0.76 0.45 -0.07 0.00 0.00 0.00 179.25 178.89 3dd5 h LEU 75 N -0.41 0.73 -1.34 0.00 3.38 -1.29 -0.80 115.31 115.58 3dd5 h LEU 75 Ca 0.05 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3dd5 h LEU 75 Cb 0.47 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3dd5 h LEU 75 CO -0.19 0.51 -0.33 -0.33 0.09 0.00 0.00 178.44 178.19 3dd5 h GLU 76 N 0.87 0.01 0.03 1.13 5.08 -1.16 -0.38 114.58 120.15 3dd5 h GLU 76 Ca 0.29 -0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.39 3dd5 h GLU 76 Cb 0.02 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.28 3dd5 h GLU 76 CO -0.11 0.33 -1.04 -0.09 -1.00 0.00 0.00 179.01 177.11 3dd5 h ARG 77 N 0.01 0.49 -0.24 2.33 1.12 -0.58 0.45 114.38 117.96 3dd5 h ARG 77 Ca -0.00 -0.56 -0.17 0.00 -1.11 0.00 0.00 59.98 58.14 3dd5 h ARG 77 Cb 0.58 0.17 0.00 0.00 -0.01 0.00 0.00 29.97 30.71 3dd5 h ARG 77 CO 0.04 1.20 -0.51 0.82 -3.11 0.00 0.00 179.97 178.42 3dd5 h ILE 78 N 0.26 1.30 0.00 1.20 2.04 -0.92 -3.39 117.51 117.99 3dd5 h ILE 78 Ca -0.11 -1.71 0.00 0.00 1.00 0.00 0.00 64.86 64.04 3dd5 h ILE 78 Cb 1.69 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 39.54 3dd5 h ILE 78 CO 0.19 0.55 -1.18 -1.22 0.00 0.00 0.00 178.15 176.48 3dd5 n TYR 79 N -4.10 0.00 0.00 1.37 4.02 -0.18 -5.10 117.16 113.17 3dd5 n TYR 79 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.84 3dd5 n TYR 79 Cb 0.60 -0.15 0.00 0.00 -0.02 0.00 0.00 39.34 39.77 3dd5 n TYR 79 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dd5 n GLY 80 N 1.86 2.16 0.36 2.72 0.00 0.14 -4.51 105.19 107.91 3dd5 n GLY 80 Ca -0.01 -1.54 0.11 0.00 0.00 0.00 0.00 46.02 44.58 3dd5 n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dd5 h ALA 81 N 0.00 1.66 0.00 4.61 0.00 -1.86 -0.79 119.26 122.88 3dd5 h ALA 81 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3dd5 h ALA 81 Cb 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3dd5 h ALA 81 CO 0.00 0.04 -0.02 -0.91 0.00 0.00 0.00 179.25 178.37 3dd5 h ASN 82 N 0.83 0.00 -0.36 0.00 2.35 -1.91 -3.19 115.58 113.30 3dd5 h ASN 82 Ca 0.52 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.27 3dd5 h ASN 82 Cb 0.71 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.08 3dd5 h ASN 82 CO -0.29 0.02 0.00 -0.67 -1.65 0.00 0.00 177.43 174.83 3dd5 n ASP 83 N -3.12 3.08 -4.14 5.81 4.64 -0.31 -4.83 116.55 117.68 3dd5 n ASP 83 Ca 0.00 -1.90 -0.26 0.00 -1.38 0.00 0.00 54.79 51.25 3dd5 n ASP 83 Cb 0.29 -0.24 -0.16 0.00 -1.04 0.00 0.00 41.12 39.97 3dd5 n ASP 83 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 3dd5 s VAL 84 N -1.13 1.43 -0.35 5.18 1.01 -1.17 -2.06 120.40 123.31 3dd5 s VAL 84 Ca 0.30 -0.72 -0.14 0.00 0.00 0.00 0.00 61.98 61.42 3dd5 s VAL 84 Cb 0.17 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 3dd5 s VAL 84 CO 0.23 0.41 0.30 0.26 0.00 0.00 0.00 175.10 176.30 3dd5 s TRP 85 N -0.01 3.22 -0.11 5.22 0.51 0.64 -4.94 118.94 123.48 3dd5 s TRP 85 Ca -0.03 -0.16 -0.18 0.00 -2.12 0.00 0.00 56.10 53.61 3dd5 s TRP 85 Cb -0.11 -2.57 -0.04 0.00 -0.81 0.00 0.00 33.47 29.94 3dd5 s TRP 85 CO 0.02 -0.41 0.47 0.08 -0.51 0.00 0.00 176.95 176.60 3dd5 s VAL 86 N 1.85 5.17 -0.08 4.03 1.01 -1.26 0.04 120.40 131.16 3dd5 s VAL 86 Ca 0.08 0.95 -0.04 0.00 0.00 0.00 0.00 61.98 62.97 3dd5 s VAL 86 Cb -0.17 -3.81 0.04 0.00 0.00 0.00 0.00 36.38 32.44 3dd5 s VAL 86 CO 0.11 0.35 0.18 -1.58 0.00 0.00 0.00 175.10 174.16 3dd5 s GLN 87 N 0.47 0.10 0.31 2.72 2.00 0.60 -1.30 119.66 124.56 3dd5 s GLN 87 Ca 0.26 0.48 0.02 0.00 -2.00 0.00 0.00 55.36 54.11 3dd5 s GLN 87 Cb -0.15 -0.18 -0.03 0.00 0.80 0.00 0.00 33.01 33.45 3dd5 s GLN 87 CO 0.11 -0.21 0.49 0.20 -0.50 0.00 0.00 175.29 175.38 3dd5 s GLY 88 N 1.55 1.33 -0.86 2.59 0.00 -1.04 -0.90 107.32 109.99 3dd5 s GLY 88 Ca -0.06 -0.99 -0.19 0.00 0.00 0.00 0.00 44.72 43.48 3dd5 s GLY 88 CO -0.07 -0.95 1.04 0.14 0.00 0.00 0.00 173.10 173.27 3dd5 s VAL 89 N -2.20 4.74 0.00 1.40 1.01 -0.12 -4.84 120.40 120.39 3dd5 s VAL 89 Ca 0.38 -1.42 0.00 0.00 0.00 0.00 0.00 61.98 60.94 3dd5 s VAL 89 Cb -0.09 -4.72 0.00 0.00 0.00 0.00 0.00 36.38 31.56 3dd5 s VAL 89 CO 0.34 -1.44 0.00 0.61 0.00 0.00 0.00 175.10 174.61 3dd5 n GLY 90 N 5.35 1.72 7.00 4.51 0.00 -1.26 -4.63 105.19 117.88 3dd5 n GLY 90 Ca 0.17 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3dd5 n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dd5 n GLY 91 N 5.00 1.26 0.21 -0.02 0.00 -1.26 -1.25 105.19 109.12 3dd5 n GLY 91 Ca 0.00 0.43 0.09 0.00 0.00 0.00 0.00 46.02 46.55 3dd5 n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dd5 h PRO 92 N 0.00 0.00 -6.17 1.61 0.13 -1.93 -3.42 132.00 122.22 3dd5 h PRO 92 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 3dd5 h PRO 92 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 3dd5 h PRO 92 CO 0.00 0.24 1.26 -0.47 -0.23 0.00 0.00 178.00 178.80 3dd5 s TYR 93 N -3.51 1.88 -0.22 1.56 5.04 -0.38 -4.63 117.35 117.09 3dd5 s TYR 93 Ca 0.02 0.65 0.21 0.00 -2.44 0.00 0.00 57.07 55.51 3dd5 s TYR 93 Cb 0.09 -4.19 -0.01 0.00 0.35 0.00 0.00 41.96 38.20 3dd5 s TYR 93 CO 0.65 -2.36 1.04 -0.07 -1.34 0.00 0.00 175.55 173.47 3dd5 h LEU 94 N 14.80 0.00 0.90 6.97 3.38 -1.87 -3.43 115.31 136.06 3dd5 h LEU 94 Ca -0.28 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.30 3dd5 h LEU 94 Cb 1.14 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.95 3dd5 h LEU 94 CO 1.16 0.17 -0.59 0.00 0.09 0.00 0.00 178.44 179.28 3dd5 n ALA 95 N -2.23 -0.94 -1.80 1.53 0.00 -1.26 -4.77 120.51 111.03 3dd5 n ALA 95 Ca -0.02 0.28 -0.35 0.00 0.00 0.00 0.00 53.44 53.35 3dd5 n ALA 95 Cb 0.63 -3.82 -0.06 0.00 0.00 0.00 0.00 19.45 16.21 3dd5 n ALA 95 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3dd5 s ASP 96 N -2.73 6.94 0.53 0.00 1.47 -1.26 0.44 116.67 122.06 3dd5 s ASP 96 Ca 0.30 1.81 0.28 0.00 1.18 0.00 0.00 52.55 56.11 3dd5 s ASP 96 Cb -0.13 -2.56 1.49 0.00 -0.34 0.00 0.00 42.92 41.38 3dd5 s ASP 96 CO 0.37 -0.35 2.09 -0.07 0.68 0.00 0.00 175.17 177.89 3dd5 h LEU 97 N 2.28 0.00 -0.39 2.11 3.38 -1.95 -2.99 115.31 117.74 3dd5 h LEU 97 Ca -0.48 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.56 3dd5 h LEU 97 Cb 1.19 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.87 3dd5 h LEU 97 CO 0.62 0.10 -0.05 0.00 0.09 0.00 0.00 178.44 179.20 3dd5 h ALA 98 N 1.90 0.31 0.00 1.53 0.00 -2.04 -3.13 119.26 117.83 3dd5 h ALA 98 Ca -0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3dd5 h ALA 98 Cb 0.29 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3dd5 h ALA 98 CO 0.01 -0.43 0.00 0.77 0.00 0.00 0.00 179.25 179.61 3dd5 h SER 99 N 0.05 0.00 0.05 0.00 0.02 -1.91 -1.84 113.55 109.91 3dd5 h SER 99 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3dd5 h SER 99 Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 3dd5 h SER 99 CO -0.37 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 175.91 3dd5 n ASN 100 N -2.85 0.52 -0.03 3.07 3.02 -1.18 -2.12 115.26 115.69 3dd5 n ASN 100 Ca -0.00 0.74 -0.09 0.00 -0.03 0.00 0.00 54.58 55.19 3dd5 n ASN 100 Cb 0.20 -0.81 -0.14 0.00 -0.61 0.00 0.00 39.78 38.42 3dd5 n ASN 100 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3dd5 n PHE 101 N -2.20 0.91 -1.53 3.10 3.72 -0.69 -4.39 117.46 116.39 3dd5 n PHE 101 Ca -0.01 0.33 -0.44 0.00 -0.05 0.00 0.00 57.45 57.27 3dd5 n PHE 101 Cb 0.04 -1.17 -0.01 0.00 -0.94 0.00 0.00 39.48 37.41 3dd5 n PHE 101 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3dd5 n LEU 102 N -3.03 0.87 -0.17 4.37 4.77 -0.90 -4.75 117.00 118.17 3dd5 n LEU 102 Ca -0.19 1.10 0.29 0.00 -0.03 0.00 0.00 56.01 57.19 3dd5 n LEU 102 Cb 1.06 -1.19 0.67 0.00 -2.33 0.00 0.00 43.42 41.63 3dd5 n LEU 102 CO 0.45 -2.03 1.27 -0.65 -1.33 0.00 0.00 177.39 175.09 3dd5 h PRO 103 N 1.51 0.00 -0.02 3.23 0.11 -1.89 0.45 132.00 135.40 3dd5 h PRO 103 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3dd5 h PRO 103 Cb 1.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 3dd5 h PRO 103 CO 0.58 0.00 -0.12 -0.25 -0.21 0.00 0.00 178.00 178.00 3dd5 n ASP 104 N -3.73 1.85 0.00 -2.05 10.43 -1.26 -4.94 116.55 116.85 3dd5 n ASP 104 Ca 0.19 -1.50 0.00 0.00 2.57 0.00 0.00 54.79 56.05 3dd5 n ASP 104 Cb 1.15 0.09 0.00 0.00 1.84 0.00 0.00 41.12 44.20 3dd5 n ASP 104 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3dd5 n GLY 105 N 1.29 0.50 3.81 0.44 0.00 0.16 -4.89 105.19 106.49 3dd5 n GLY 105 Ca 0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 3dd5 n GLY 105 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3dd5 s THR 106 N -2.00 0.00 0.21 2.61 -1.32 -1.07 -4.26 115.64 109.81 3dd5 s THR 106 Ca 0.00 -0.59 -0.30 0.00 -1.21 0.00 0.00 61.69 59.60 3dd5 s THR 106 Cb 0.00 -2.45 -0.09 0.00 -1.51 0.00 0.00 72.50 68.45 3dd5 s THR 106 CO 0.00 0.00 1.23 -0.55 -2.21 0.00 0.00 174.62 173.09 3dd5 s SER 107 N -3.19 7.03 0.33 8.08 0.15 -1.26 -4.79 113.70 120.05 3dd5 s SER 107 Ca 0.17 2.31 0.02 0.00 0.70 0.00 0.00 55.95 59.16 3dd5 s SER 107 Cb -0.01 -2.61 0.58 0.00 -1.71 0.00 0.00 66.02 62.27 3dd5 s SER 107 CO 0.03 -0.40 1.92 0.77 1.20 0.00 0.00 173.24 176.76 3dd5 h SER 108 N 5.02 0.63 -0.45 5.45 4.64 -1.99 -1.80 113.55 125.05 3dd5 h SER 108 Ca -0.45 -0.08 0.09 0.00 -0.47 0.00 0.00 61.79 60.88 3dd5 h SER 108 Cb 1.21 -0.16 -0.09 0.00 -0.31 0.00 0.00 62.40 63.06 3dd5 h SER 108 CO 0.74 0.58 -0.11 0.00 -0.87 0.00 0.00 176.83 177.17 3dd5 h ALA 109 N 1.51 0.30 -0.45 5.18 0.00 -1.94 -1.54 119.26 122.33 3dd5 h ALA 109 Ca 0.17 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 3dd5 h ALA 109 Cb 0.16 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3dd5 h ALA 109 CO -0.01 -0.45 0.28 0.00 0.00 0.00 0.00 179.25 179.07 3dd5 h ALA 110 N 1.45 0.57 -0.96 0.00 0.00 -1.62 0.16 119.26 118.86 3dd5 h ALA 110 Ca 0.22 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.14 3dd5 h ALA 110 Cb 0.33 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 3dd5 h ALA 110 CO -0.46 0.06 0.61 0.82 0.00 0.00 0.00 179.25 180.28 3dd5 h ILE 111 N 0.60 1.04 -0.03 0.00 2.04 -1.16 -1.95 117.51 118.05 3dd5 h ILE 111 Ca 0.16 -0.37 -0.14 0.00 1.00 0.00 0.00 64.86 65.51 3dd5 h ILE 111 Cb -0.02 -0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 35.91 3dd5 h ILE 111 CO -0.03 0.20 -0.61 0.78 0.00 0.00 0.00 178.15 178.49 3dd5 h ASN 112 N 1.09 0.13 -0.18 1.72 -0.26 -0.19 -0.82 115.58 117.07 3dd5 h ASN 112 Ca 0.43 -0.07 -0.12 0.00 -0.56 0.00 0.00 56.30 55.98 3dd5 h ASN 112 Cb 0.23 -0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.44 3dd5 h ASN 112 CO -0.19 0.71 -0.29 -0.08 -1.06 0.00 0.00 177.43 176.52 3dd5 h GLU 113 N 0.08 0.66 -0.21 0.81 4.57 -0.74 0.36 114.58 120.11 3dd5 h GLU 113 Ca -0.01 -0.29 -0.06 0.00 -1.18 0.00 0.00 59.36 57.83 3dd5 h GLU 113 Cb 1.10 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.66 3dd5 h GLU 113 CO 0.09 0.88 -0.09 0.00 -1.18 0.00 0.00 179.01 178.70 3dd5 h ALA 114 N 1.11 0.30 -0.78 2.92 0.00 -1.15 -2.32 119.26 119.34 3dd5 h ALA 114 Ca 0.07 -0.29 0.13 0.00 0.00 0.00 0.00 54.91 54.83 3dd5 h ALA 114 Cb 0.78 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 3dd5 h ALA 114 CO 0.06 0.13 0.51 0.00 0.00 0.00 0.00 179.25 179.96 3dd5 h ARG 115 N 0.15 0.51 -0.61 0.00 3.08 -0.92 -1.36 114.38 115.23 3dd5 h ARG 115 Ca 0.05 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 3dd5 h ARG 115 Cb 0.58 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 3dd5 h ARG 115 CO 0.03 0.34 0.01 -0.09 -1.07 0.00 0.00 179.97 179.19 3dd5 h ARG 116 N 0.53 1.05 0.05 0.04 2.43 -0.77 -2.30 114.38 115.41 3dd5 h ARG 116 Ca 0.38 -0.32 -0.26 0.00 -0.81 0.00 0.00 59.98 58.97 3dd5 h ARG 116 Cb 0.73 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 30.19 3dd5 h ARG 116 CO -0.14 1.02 -1.08 -0.07 -1.51 0.00 0.00 179.97 178.19 3dd5 h LEU 117 N 0.97 0.62 -0.38 3.80 3.38 -0.72 -0.88 115.31 122.11 3dd5 h LEU 117 Ca 0.17 -0.55 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 3dd5 h LEU 117 Cb 0.54 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3dd5 h LEU 117 CO 0.03 1.36 0.13 -0.26 0.09 0.00 0.00 178.44 179.79 3dd5 h PHE 118 N 0.22 0.59 -0.61 1.13 0.04 -1.38 -0.64 116.94 116.30 3dd5 h PHE 118 Ca -0.12 -0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.59 3dd5 h PHE 118 Cb 1.74 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 39.69 3dd5 h PHE 118 CO 0.08 0.55 0.36 1.15 -0.60 0.00 0.00 178.31 179.85 3dd5 h THR 119 N 0.46 1.18 -0.69 -1.55 2.02 -1.41 -0.87 112.91 112.06 3dd5 h THR 119 Ca 0.12 -0.42 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 3dd5 h THR 119 Cb 0.23 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 3dd5 h THR 119 CO -0.01 0.19 0.31 0.25 0.37 0.00 0.00 175.52 176.63 3dd5 h LEU 120 N 0.83 0.92 -1.27 2.58 6.46 -1.10 -1.22 115.31 122.52 3dd5 h LEU 120 Ca 0.22 -0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 3dd5 h LEU 120 Cb -0.01 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 39.65 3dd5 h LEU 120 CO -0.04 0.82 0.36 0.00 -0.62 0.00 0.00 178.44 178.96 3dd5 h ALA 121 N 1.14 1.45 -0.02 1.25 0.00 -0.36 -0.60 119.26 122.12 3dd5 h ALA 121 Ca 0.23 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 3dd5 h ALA 121 Cb 0.16 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3dd5 h ALA 121 CO -0.03 0.47 -0.72 -0.97 0.00 0.00 0.00 179.25 178.00 3dd5 h ASN 122 N 0.87 0.14 0.08 0.00 -1.24 -0.65 -2.51 115.58 112.26 3dd5 h ASN 122 Ca 0.23 -0.09 -0.22 0.00 0.71 0.00 0.00 56.30 56.93 3dd5 h ASN 122 Cb 0.00 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.00 3dd5 h ASN 122 CO -0.04 0.81 -1.10 0.71 -1.29 0.00 0.00 177.43 176.52 3dd5 h THR 123 N 0.07 1.18 -0.19 -3.57 1.35 -0.86 -3.12 112.91 107.78 3dd5 h THR 123 Ca -0.02 -2.37 -0.05 0.00 -0.55 0.00 0.00 66.41 63.42 3dd5 h THR 123 Cb 1.27 2.79 -0.01 0.00 -1.73 0.00 0.00 68.15 70.48 3dd5 h THR 123 CO 0.10 0.62 -0.09 0.50 -0.25 0.00 0.00 175.52 176.41 3dd5 h LYS 124 N -0.54 0.40 -2.40 4.72 3.64 -1.26 -3.40 116.57 117.72 3dd5 h LYS 124 Ca -0.25 -0.17 -0.59 0.00 -1.27 0.00 0.00 60.65 58.37 3dd5 h LYS 124 Cb 1.55 -0.01 -0.40 0.00 -0.41 0.00 0.00 32.23 32.96 3dd5 h LYS 124 CO 0.01 0.69 -0.87 0.00 -2.27 0.00 0.00 179.45 177.01 3dd5 n PRO 126 N 2.03 0.17 -0.00 0.00 -0.04 -1.18 -2.70 135.00 133.28 3dd5 n PRO 126 Ca 0.26 0.17 0.06 0.00 -0.04 0.00 0.00 63.50 63.95 3dd5 n PRO 126 Cb 0.46 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.34 3dd5 n PRO 126 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3dd5 n ASN 127 N -1.32 0.73 -4.77 3.54 3.02 -1.26 -4.98 115.26 110.23 3dd5 n ASN 127 Ca 0.06 -0.76 -0.38 0.00 -0.03 0.00 0.00 54.58 53.47 3dd5 n ASN 127 Cb 0.12 1.05 0.00 0.00 -0.61 0.00 0.00 39.78 40.34 3dd5 n ASN 127 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dd5 s ALA 128 N -2.34 3.04 0.04 5.41 0.00 -1.10 -5.02 121.76 121.79 3dd5 s ALA 128 Ca 0.04 1.10 -0.28 0.00 0.00 0.00 0.00 51.96 52.82 3dd5 s ALA 128 Cb 0.10 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.73 3dd5 s ALA 128 CO 0.56 -0.84 0.90 0.00 0.00 0.00 0.00 175.76 176.39 3dd5 s ALA 129 N -1.40 3.25 -0.13 0.00 0.00 -0.79 -4.93 121.76 117.75 3dd5 s ALA 129 Ca 0.63 0.46 -0.02 0.00 0.00 0.00 0.00 51.96 53.02 3dd5 s ALA 129 Cb -0.34 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 3dd5 s ALA 129 CO 0.42 -0.09 -0.05 0.42 0.00 0.00 0.00 175.76 176.46 3dd5 s ILE 130 N 0.42 3.76 0.05 0.00 1.01 -0.36 -0.77 121.20 125.31 3dd5 s ILE 130 Ca 0.46 -0.41 0.04 0.00 0.00 0.00 0.00 60.65 60.74 3dd5 s ILE 130 Cb -0.21 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 3dd5 s ILE 130 CO 0.27 0.52 -0.12 0.68 0.00 0.00 0.00 174.94 176.28 3dd5 s VAL 131 N 0.11 0.94 0.16 2.92 -7.23 -0.41 0.25 120.40 117.14 3dd5 s VAL 131 Ca -0.02 -1.08 0.02 0.00 -1.81 0.00 0.00 61.98 59.09 3dd5 s VAL 131 Cb -0.14 -0.90 -0.05 0.00 0.56 0.00 0.00 36.38 35.86 3dd5 s VAL 131 CO 0.03 -0.16 -0.03 -0.94 -0.31 0.00 0.00 175.10 173.70 3dd5 s SER 132 N -1.39 1.32 0.23 4.85 1.04 -0.12 -2.41 113.70 117.21 3dd5 s SER 132 Ca -0.02 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.29 3dd5 s SER 132 Cb -0.09 0.09 -0.05 0.00 0.10 0.00 0.00 66.02 66.07 3dd5 s SER 132 CO 0.01 -0.51 0.10 -0.83 0.98 0.00 0.00 173.24 172.99 3dd5 s GLY 133 N -3.15 1.57 -0.28 7.32 0.00 0.03 -1.66 107.32 111.15 3dd5 s GLY 133 Ca 0.21 -1.78 -0.23 0.00 0.00 0.00 0.00 44.72 42.92 3dd5 s GLY 133 CO 0.02 -1.52 0.86 -0.32 0.00 0.00 0.00 173.10 172.14 3dd5 s GLY 134 N -3.24 -0.35 -0.20 0.20 0.00 -0.58 -2.32 107.32 100.83 3dd5 s GLY 134 Ca 0.37 2.45 -0.00 0.00 0.00 0.00 0.00 44.72 47.54 3dd5 s GLY 134 CO 0.12 1.97 -0.05 -0.47 0.00 0.00 0.00 173.10 174.67 3dd5 s TYR 135 N 0.62 1.97 0.00 1.90 5.04 -0.55 -0.36 117.35 125.97 3dd5 s TYR 135 Ca -0.01 -1.37 0.00 0.00 -2.44 0.00 0.00 57.07 53.25 3dd5 s TYR 135 Cb -0.05 -1.42 0.00 0.00 0.35 0.00 0.00 41.96 40.84 3dd5 s TYR 135 CO -0.07 -0.69 0.00 0.45 -1.34 0.00 0.00 175.55 173.91 3dd5 n SER 136 N 4.80 0.00 -0.36 4.32 2.88 -0.00 -2.08 113.62 123.17 3dd5 n SER 136 Ca -0.12 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.41 3dd5 n SER 136 Cb 0.46 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 64.07 3dd5 n SER 136 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 3dd5 h GLN 137 N 0.00 1.24 -1.01 -1.46 4.15 -1.84 -2.47 115.11 113.71 3dd5 h GLN 137 Ca 0.00 -0.07 0.25 0.00 0.77 0.00 0.00 58.65 59.60 3dd5 h GLN 137 Cb 0.00 -0.28 -0.12 0.00 0.21 0.00 0.00 27.48 27.29 3dd5 h GLN 137 CO 0.00 0.82 0.61 0.78 -1.93 0.00 0.00 178.83 179.11 3dd5 h GLY 138 N 1.28 1.82 1.86 2.39 0.00 -0.92 0.27 103.07 109.77 3dd5 h GLY 138 Ca 0.37 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 3dd5 h GLY 138 CO -0.10 -0.23 0.08 -0.91 0.00 0.00 0.00 176.54 175.38 3dd5 h THR 139 N 0.55 1.04 0.10 4.70 1.35 -1.62 0.02 112.91 119.06 3dd5 h THR 139 Ca 0.64 -0.09 -0.27 0.00 -0.55 0.00 0.00 66.41 66.14 3dd5 h THR 139 Cb 1.27 0.85 0.01 0.00 -1.73 0.00 0.00 68.15 68.55 3dd5 h THR 139 CO -0.45 0.04 -1.18 0.00 -0.25 0.00 0.00 175.52 173.68 3dd5 h ALA 140 N 1.90 0.14 -0.99 6.62 0.00 -0.57 0.44 119.26 126.80 3dd5 h ALA 140 Ca 0.05 -0.82 0.11 0.00 0.00 0.00 0.00 54.91 54.25 3dd5 h ALA 140 Cb -0.01 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 3dd5 h ALA 140 CO -0.01 0.87 0.63 0.28 0.00 0.00 0.00 179.25 181.02 3dd5 h VAL 141 N 0.15 0.96 0.11 0.00 2.07 -0.80 0.16 116.25 118.91 3dd5 h VAL 141 Ca -0.14 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 3dd5 h VAL 141 Cb 1.87 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 3dd5 h VAL 141 CO 0.20 0.19 -0.06 0.24 0.02 0.00 0.00 177.57 178.16 3dd5 h MET 142 N 1.03 -0.15 -0.63 1.57 2.86 -0.83 -2.62 114.93 116.15 3dd5 h MET 142 Ca 0.47 0.01 0.13 0.00 -2.06 0.00 0.00 59.70 58.25 3dd5 h MET 142 Cb 0.41 0.03 -0.10 0.00 0.06 0.00 0.00 31.60 32.01 3dd5 h MET 142 CO -0.23 0.33 0.10 0.00 1.06 0.00 0.00 176.91 178.17 3dd5 h ALA 143 N -0.28 0.73 -0.55 6.32 0.00 -0.07 -1.40 119.26 124.01 3dd5 h ALA 143 Ca -0.02 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3dd5 h ALA 143 Cb 0.55 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3dd5 h ALA 143 CO 0.03 -0.34 0.16 0.78 0.00 0.00 0.00 179.25 179.88 3dd5 h GLY 144 N 0.22 0.92 0.35 0.00 0.00 -1.05 -2.86 103.07 100.64 3dd5 h GLY 144 Ca 0.34 -0.55 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 3dd5 h GLY 144 CO -0.46 0.51 -0.26 1.48 0.00 0.00 0.00 176.54 177.81 3dd5 h SER 145 N 0.76 0.19 -0.46 0.19 4.64 -1.03 -3.34 113.55 114.50 3dd5 h SER 145 Ca 0.18 -0.88 -0.02 0.00 -0.47 0.00 0.00 61.79 60.60 3dd5 h SER 145 Cb 0.29 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 3dd5 h SER 145 CO -0.00 1.04 0.21 0.40 -0.87 0.00 0.00 176.83 177.61 3dd5 h ILE 146 N -0.64 1.19 -0.76 0.95 2.04 -1.36 -2.96 117.51 115.96 3dd5 h ILE 146 Ca -0.04 -0.57 0.16 0.00 1.00 0.00 0.00 64.86 65.41 3dd5 h ILE 146 Cb 1.11 0.71 -0.10 0.00 -0.74 0.00 0.00 36.82 37.79 3dd5 h ILE 146 CO 0.05 0.22 0.27 0.77 0.00 0.00 0.00 178.15 179.46 3dd5 h SER 147 N 0.61 0.20 -0.66 1.72 4.64 -1.62 -2.18 113.55 116.26 3dd5 h SER 147 Ca 0.16 0.13 -0.36 0.00 -0.47 0.00 0.00 61.79 61.24 3dd5 h SER 147 Cb 0.15 0.13 -0.20 0.00 -0.31 0.00 0.00 62.40 62.16 3dd5 h SER 147 CO -0.02 0.05 0.46 0.61 -0.87 0.00 0.00 176.83 177.06 3dd5 n GLY 148 N -1.33 3.83 3.81 -0.77 0.00 -1.12 -4.81 105.19 104.80 3dd5 n GLY 148 Ca 0.15 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 3dd5 n GLY 148 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dd5 s LEU 149 N -2.23 3.93 0.91 0.99 1.43 -0.82 -5.08 118.68 117.80 3dd5 s LEU 149 Ca 0.38 0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 53.41 3dd5 s LEU 149 Cb 0.32 -2.59 0.13 0.00 0.03 0.00 0.00 46.19 44.09 3dd5 s LEU 149 CO 0.06 0.16 1.09 -0.94 0.23 0.00 0.00 176.35 176.96 3dd5 s SER 150 N -2.46 3.37 0.17 2.29 1.04 -1.26 -4.74 113.70 112.11 3dd5 s SER 150 Ca 0.31 1.48 -0.14 0.00 0.48 0.00 0.00 55.95 58.07 3dd5 s SER 150 Cb -0.12 -2.16 0.09 0.00 0.10 0.00 0.00 66.02 63.93 3dd5 s SER 150 CO 0.23 -2.70 1.78 0.74 0.98 0.00 0.00 173.24 174.28 3dd5 h THR 151 N -1.59 0.98 -0.35 2.02 2.02 -1.99 -1.48 112.91 112.52 3dd5 h THR 151 Ca -0.50 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 66.49 3dd5 h THR 151 Cb 1.29 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 3dd5 h THR 151 CO 0.54 0.08 0.06 0.00 0.37 0.00 0.00 175.52 176.57 3dd5 h THR 152 N 0.46 1.18 -0.02 3.16 1.03 -2.00 -1.84 112.91 114.87 3dd5 h THR 152 Ca 0.19 -0.66 -0.19 0.00 -0.01 0.00 0.00 66.41 65.74 3dd5 h THR 152 Cb 0.09 0.85 0.01 0.00 -1.07 0.00 0.00 68.15 68.04 3dd5 h THR 152 CO -0.13 0.24 -0.71 0.40 -0.01 0.00 0.00 175.52 175.30 3dd5 h ILE 153 N 0.52 1.37 0.00 0.00 2.04 -1.80 -3.20 117.51 116.43 3dd5 h ILE 153 Ca 0.12 -2.08 -0.01 0.00 1.00 0.00 0.00 64.86 63.88 3dd5 h ILE 153 Cb 0.25 2.45 -0.00 0.00 -0.74 0.00 0.00 36.82 38.78 3dd5 h ILE 153 CO 0.00 0.62 -0.06 0.11 0.00 0.00 0.00 178.15 178.82 3dd5 h LYS 154 N 0.09 0.00 0.00 2.37 1.57 -1.02 -1.56 116.57 118.03 3dd5 h LYS 154 Ca -0.08 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 3dd5 h LYS 154 Cb 1.39 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.70 3dd5 h LYS 154 CO 0.14 0.06 -0.09 -0.97 -0.57 0.00 0.00 179.45 178.03 3dd5 h ASN 155 N 0.00 0.00 1.26 0.86 -1.24 -1.34 -3.11 115.58 112.01 3dd5 h ASN 155 Ca -0.00 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 56.96 3dd5 h ASN 155 Cb 0.12 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.16 3dd5 h ASN 155 CO 0.01 0.09 -0.76 -0.61 -1.29 0.00 0.00 177.43 174.87 3dd5 h GLN 156 N 0.00 0.00 -6.55 6.67 4.15 -1.32 -3.42 115.11 114.64 3dd5 h GLN 156 Ca -0.00 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 58.86 3dd5 h GLN 156 Cb 0.76 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.37 3dd5 h GLN 156 CO 0.01 0.14 0.96 0.42 -1.93 0.00 0.00 178.83 178.42 3dd5 s ILE 157 N -3.17 4.04 -0.16 2.39 1.01 -1.10 -1.23 121.20 122.97 3dd5 s ILE 157 Ca 0.02 0.89 0.16 0.00 0.00 0.00 0.00 60.65 61.72 3dd5 s ILE 157 Cb 0.08 -4.71 0.02 0.00 0.01 0.00 0.00 42.46 37.86 3dd5 s ILE 157 CO 0.76 -1.32 1.28 0.11 0.00 0.00 0.00 174.94 175.77 3dd5 h LYS 158 N 9.52 0.00 -1.88 2.79 1.79 0.31 -3.47 116.57 125.62 3dd5 h LYS 158 Ca -0.25 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.22 3dd5 h LYS 158 Cb 1.06 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.48 3dd5 h LYS 158 CO 1.18 0.40 0.21 0.20 -1.08 0.00 0.00 179.45 180.37 3dd5 s GLY 159 N -4.53 -0.43 -0.04 3.86 0.00 -1.23 -4.80 107.32 100.15 3dd5 s GLY 159 Ca 0.02 2.28 0.03 0.00 0.00 0.00 0.00 44.72 47.05 3dd5 s GLY 159 CO 0.76 1.87 -0.12 0.14 0.00 0.00 0.00 173.10 175.75 3dd5 s VAL 160 N 0.50 1.03 -0.12 1.40 1.01 -0.53 -0.95 120.40 122.74 3dd5 s VAL 160 Ca -0.00 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.53 3dd5 s VAL 160 Cb -0.05 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.42 3dd5 s VAL 160 CO -0.04 0.32 -0.21 0.68 0.00 0.00 0.00 175.10 175.85 3dd5 s VAL 161 N 0.32 1.93 -0.21 2.92 -7.23 -0.67 -1.23 120.40 116.24 3dd5 s VAL 161 Ca -0.07 -0.91 0.00 0.00 -1.81 0.00 0.00 61.98 59.19 3dd5 s VAL 161 Cb -0.12 -1.70 0.02 0.00 0.56 0.00 0.00 36.38 35.14 3dd5 s VAL 161 CO 0.02 0.53 -0.15 -0.76 -0.31 0.00 0.00 175.10 174.43 3dd5 s LEU 162 N 0.73 2.57 -0.29 1.32 1.43 -0.50 -1.53 118.68 122.42 3dd5 s LEU 162 Ca -0.10 -0.76 -0.11 0.00 -1.03 0.00 0.00 54.13 52.14 3dd5 s LEU 162 Cb -0.16 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 3dd5 s LEU 162 CO 0.01 -0.05 0.18 -0.36 0.23 0.00 0.00 176.35 176.36 3dd5 s PHE 163 N 1.29 3.20 -0.65 0.29 0.08 0.51 -0.19 117.98 122.51 3dd5 s PHE 163 Ca 0.02 -0.11 -0.03 0.00 0.12 0.00 0.00 56.93 56.93 3dd5 s PHE 163 Cb -0.15 -2.37 -0.03 0.00 -0.57 0.00 0.00 43.02 39.90 3dd5 s PHE 163 CO -0.09 -0.27 0.56 0.41 -0.10 0.00 0.00 175.22 175.73 3dd5 n GLY 164 N 5.04 -0.27 3.56 4.36 0.00 0.52 -0.82 105.19 117.58 3dd5 n GLY 164 Ca -0.14 0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 3dd5 n GLY 164 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3dd5 s TYR 165 N -3.23 1.40 0.26 1.61 5.04 -1.26 -3.10 117.35 118.07 3dd5 s TYR 165 Ca 0.22 1.06 0.25 0.00 -2.44 0.00 0.00 57.07 56.16 3dd5 s TYR 165 Cb -0.03 -3.87 1.38 0.00 0.35 0.00 0.00 41.96 39.78 3dd5 s TYR 165 CO 0.44 -2.64 1.74 1.79 -1.34 0.00 0.00 175.55 175.55 3dd5 h THR 166 N 7.23 0.00 -0.88 4.34 1.35 -1.71 -1.12 112.91 122.11 3dd5 h THR 166 Ca -0.28 0.00 -0.52 0.00 -0.55 0.00 0.00 66.41 65.07 3dd5 h THR 166 Cb 1.21 0.56 -0.42 0.00 -1.73 0.00 0.00 68.15 67.77 3dd5 h THR 166 CO 1.15 0.00 -0.85 0.29 -0.25 0.00 0.00 175.52 175.86 3dd5 n LYS 167 N -2.51 3.28 0.07 4.72 4.76 -1.26 -4.69 118.16 122.53 3dd5 n LYS 167 Ca -0.02 -4.13 -0.14 0.00 -2.87 0.00 0.00 58.31 51.15 3dd5 n LYS 167 Cb 0.23 -2.16 -0.08 0.00 -1.84 0.00 0.00 35.03 31.18 3dd5 n LYS 167 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 3dd5 h ASN 168 N 2.34 -1.38 -0.05 4.39 -1.24 -1.45 -2.10 115.58 116.10 3dd5 h ASN 168 Ca 0.28 0.16 -0.04 0.00 0.71 0.00 0.00 56.30 57.41 3dd5 h ASN 168 Cb 1.37 0.53 0.00 0.00 0.73 0.00 0.00 38.32 40.95 3dd5 h ASN 168 CO 0.70 -0.49 -0.14 -0.07 -1.29 0.00 0.00 177.43 176.14 3dd5 h LEU 169 N -0.63 0.20 -1.99 0.34 4.07 -1.87 0.69 115.31 116.12 3dd5 h LEU 169 Ca 0.03 -0.62 0.02 0.00 0.08 0.00 0.00 57.88 57.39 3dd5 h LEU 169 Cb 0.69 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.36 3dd5 h LEU 169 CO -0.31 0.78 0.04 1.56 -1.08 0.00 0.00 178.44 179.43 3dd5 h GLN 170 N -0.37 0.01 -0.28 1.13 7.50 -1.91 -2.55 115.11 118.65 3dd5 h GLN 170 Ca -0.00 -0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.14 3dd5 h GLN 170 Cb 0.77 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.29 3dd5 h GLN 170 CO 0.03 0.01 0.00 0.09 -1.50 0.00 0.00 178.83 177.46 3dd5 n ASN 171 N -4.52 3.01 -2.78 1.46 3.02 -0.79 -5.00 115.26 109.65 3dd5 n ASN 171 Ca -0.02 -2.25 -0.20 0.00 -0.03 0.00 0.00 54.58 52.08 3dd5 n ASN 171 Cb 0.14 -0.28 0.03 0.00 -0.61 0.00 0.00 39.78 39.07 3dd5 n ASN 171 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3dd5 n LEU 172 N 0.12 -2.62 0.00 3.41 7.99 -0.66 -2.83 117.00 122.41 3dd5 n LEU 172 Ca 0.12 -0.27 0.00 0.00 -0.01 0.00 0.00 56.01 55.85 3dd5 n LEU 172 Cb 0.51 -2.76 0.00 0.00 -0.11 0.00 0.00 43.42 41.06 3dd5 n LEU 172 CO 0.08 0.23 0.00 0.61 -1.51 0.00 0.00 177.39 176.80 3dd5 n GLY 173 N -1.48 0.88 2.23 -0.72 0.00 0.23 -4.98 105.19 101.35 3dd5 n GLY 173 Ca -0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 3dd5 n GLY 173 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3dd5 n ARG 174 N -2.14 0.50 -3.61 1.61 1.85 -1.13 -4.82 116.66 108.92 3dd5 n ARG 174 Ca 0.00 -2.30 -0.37 0.00 -1.00 0.00 0.00 57.85 54.18 3dd5 n ARG 174 Cb 0.00 1.53 -0.09 0.00 -1.05 0.00 0.00 32.46 32.86 3dd5 n ARG 174 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 3dd5 s ILE 175 N -2.74 5.33 0.28 8.89 1.01 -1.26 -4.78 121.20 127.93 3dd5 s ILE 175 Ca 0.20 0.30 -0.29 0.00 0.00 0.00 0.00 60.65 60.86 3dd5 s ILE 175 Cb 0.01 -3.55 -0.10 0.00 0.01 0.00 0.00 42.46 38.84 3dd5 s ILE 175 CO 0.14 0.34 1.26 -2.84 0.00 0.00 0.00 174.94 173.84 3dd5 s PRO 176 N 0.99 4.44 -1.26 2.79 0.02 -1.26 -2.68 135.00 138.03 3dd5 s PRO 176 Ca 0.10 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.19 3dd5 s PRO 176 Cb -0.13 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.25 3dd5 s PRO 176 CO 0.04 -0.11 0.00 0.09 -0.33 0.00 0.00 177.00 176.70 3dd5 n ASN 177 N 1.41 -4.34 -3.89 2.53 3.02 -1.26 -4.09 115.26 108.63 3dd5 n ASN 177 Ca 0.01 0.18 -0.12 0.00 -0.03 0.00 0.00 54.58 54.62 3dd5 n ASN 177 Cb 0.43 -3.21 -0.14 0.00 -0.61 0.00 0.00 39.78 36.25 3dd5 n ASN 177 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3dd5 s PHE 178 N -2.55 0.08 0.44 3.10 5.36 -1.09 -4.84 117.98 118.49 3dd5 s PHE 178 Ca 0.00 -0.07 -0.25 0.00 -0.96 0.00 0.00 56.93 55.65 3dd5 s PHE 178 Cb 0.00 -0.05 -0.08 0.00 -0.34 0.00 0.00 43.02 42.55 3dd5 s PHE 178 CO 0.00 -0.02 1.37 -2.00 -1.46 0.00 0.00 175.22 173.11 3dd5 s GLU 179 N -0.17 3.73 0.31 10.12 -6.30 -1.26 -4.63 118.70 120.49 3dd5 s GLU 179 Ca -0.01 2.30 0.19 0.00 -2.50 0.00 0.00 54.97 54.94 3dd5 s GLU 179 Cb -0.01 -2.65 0.14 0.00 0.00 0.00 0.00 34.13 31.61 3dd5 s GLU 179 CO -0.00 -0.74 1.41 1.79 0.02 0.00 0.00 175.26 177.74 3dd5 h THR 180 N 2.27 0.43 0.00 -1.70 1.35 -1.91 -3.19 112.91 110.17 3dd5 h THR 180 Ca -0.50 -1.64 0.00 0.00 -0.55 0.00 0.00 66.41 63.72 3dd5 h THR 180 Cb 1.26 2.14 0.00 0.00 -1.73 0.00 0.00 68.15 69.83 3dd5 h THR 180 CO 0.61 0.25 0.00 -1.54 -0.25 0.00 0.00 175.52 174.59 3dd5 n SER 181 N -3.10 0.32 -0.95 5.36 3.41 -1.26 -2.02 113.62 115.39 3dd5 n SER 181 Ca 0.01 0.53 0.10 0.00 -0.26 0.00 0.00 58.87 59.25 3dd5 n SER 181 Cb 0.65 -0.62 0.26 0.00 -0.26 0.00 0.00 64.21 64.24 3dd5 n SER 181 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3dd5 n LYS 182 N -1.80 2.21 -4.38 4.33 5.02 -1.20 -4.94 118.16 117.39 3dd5 n LYS 182 Ca 0.06 -1.86 -0.20 0.00 -2.02 0.00 0.00 58.31 54.30 3dd5 n LYS 182 Cb 0.37 -1.43 -0.15 0.00 -0.02 0.00 0.00 35.03 33.80 3dd5 n LYS 182 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3dd5 s THR 183 N -1.41 0.78 -0.11 -0.18 2.01 -0.86 -1.45 115.64 114.42 3dd5 s THR 183 Ca 0.36 -0.35 -0.01 0.00 0.31 0.00 0.00 61.69 62.00 3dd5 s THR 183 Cb 0.19 -0.69 0.03 0.00 0.01 0.00 0.00 72.50 72.04 3dd5 s THR 183 CO 0.26 0.24 -0.06 -0.70 -0.69 0.00 0.00 174.62 173.68 3dd5 s GLU 184 N 0.20 1.31 -0.30 4.92 2.56 -0.36 -4.91 118.70 122.12 3dd5 s GLU 184 Ca -0.03 -0.18 -0.05 0.00 0.00 0.00 0.00 54.97 54.71 3dd5 s GLU 184 Cb -0.09 -1.46 0.03 0.00 2.00 0.00 0.00 34.13 34.61 3dd5 s GLU 184 CO 0.00 -0.28 0.05 0.08 -0.56 0.00 0.00 175.26 174.55 3dd5 s VAL 185 N 1.77 3.55 -0.24 3.70 1.01 -1.26 -1.40 120.40 127.53 3dd5 s VAL 185 Ca 0.05 -0.99 -0.17 0.00 0.00 0.00 0.00 61.98 60.86 3dd5 s VAL 185 Cb -0.13 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 3dd5 s VAL 185 CO -0.08 -0.00 0.47 -0.31 0.00 0.00 0.00 175.10 175.19 3dd5 s TYR 186 N 1.40 3.31 -0.10 5.22 1.51 0.74 -4.98 117.35 124.45 3dd5 s TYR 186 Ca -0.00 0.64 -0.01 0.00 -1.01 0.00 0.00 57.07 56.68 3dd5 s TYR 186 Cb -0.18 -2.65 0.03 0.00 -0.11 0.00 0.00 41.96 39.05 3dd5 s TYR 186 CO 0.01 -0.18 -0.03 0.00 -1.11 0.00 0.00 175.55 174.24 3dd5 s ASP 188 N 1.86 6.96 0.52 0.00 -1.08 -1.26 -4.94 116.67 118.73 3dd5 s ASP 188 Ca 0.05 1.92 0.23 0.00 -0.52 0.00 0.00 52.55 54.22 3dd5 s ASP 188 Cb -0.13 -2.58 1.33 0.00 -1.46 0.00 0.00 42.92 40.09 3dd5 s ASP 188 CO -0.07 -0.34 2.01 0.16 0.52 0.00 0.00 175.17 177.45 3dd5 h ILE 189 N 2.27 0.78 0.00 4.11 3.07 -2.01 -1.55 117.51 124.20 3dd5 h ILE 189 Ca -0.48 -0.02 0.00 0.00 1.55 0.00 0.00 64.86 65.91 3dd5 h ILE 189 Cb 1.20 0.72 0.00 0.00 -0.27 0.00 0.00 36.82 38.47 3dd5 h ILE 189 CO 0.63 0.01 -0.05 0.00 -1.05 0.00 0.00 178.15 177.69 3dd5 h ALA 190 N 1.76 0.97 -1.65 0.16 0.00 -2.02 -3.44 119.26 115.03 3dd5 h ALA 190 Ca 0.23 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.59 3dd5 h ALA 190 Cb 0.85 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 3dd5 h ALA 190 CO -0.02 0.00 1.03 0.34 0.00 0.00 0.00 179.25 180.60 3dd5 s ASP 191 N -5.22 6.36 0.33 0.00 3.68 -0.58 -4.89 116.67 116.35 3dd5 s ASP 191 Ca 0.09 0.36 0.14 0.00 2.13 0.00 0.00 52.55 55.27 3dd5 s ASP 191 Cb 0.09 -2.55 0.56 0.00 -1.45 0.00 0.00 42.92 39.57 3dd5 s ASP 191 CO 0.64 -1.51 1.70 0.00 0.13 0.00 0.00 175.17 176.13 3dd5 h ALA 192 N 10.19 1.05 0.00 3.66 0.00 -1.86 -2.63 119.26 129.67 3dd5 h ALA 192 Ca -0.26 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3dd5 h ALA 192 Cb 1.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3dd5 h ALA 192 CO 1.16 0.60 0.00 1.33 0.00 0.00 0.00 179.25 182.34 3dd5 n VAL 193 N -3.75 1.15 1.30 0.00 0.24 -1.26 -1.47 118.33 114.54 3dd5 n VAL 193 Ca -0.01 0.29 0.06 0.00 -2.04 0.00 0.00 64.34 62.64 3dd5 n VAL 193 Cb 0.54 -1.11 0.23 0.00 -1.47 0.00 0.00 33.84 32.02 3dd5 n VAL 193 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dd5 n TYR 195 N 0.14 0.18 -0.80 0.00 4.02 -0.54 -4.33 117.16 115.83 3dd5 n TYR 195 Ca 0.11 -0.70 0.00 0.00 -0.01 0.00 0.00 57.90 57.30 3dd5 n TYR 195 Cb 0.22 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.44 3dd5 n TYR 195 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dd5 n GLY 196 N -0.64 0.68 0.00 2.72 0.00 -1.26 -4.96 105.19 101.73 3dd5 n GLY 196 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3dd5 n GLY 196 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3dd5 n THR 197 N -2.59 0.00 -3.69 2.61 5.66 -1.26 -5.03 114.28 109.98 3dd5 n THR 197 Ca 0.00 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.90 3dd5 n THR 197 Cb 0.00 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.67 3dd5 n THR 197 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3dd5 s LEU 198 N 0.00 -0.10 0.04 1.09 1.43 -1.26 -4.36 118.68 115.53 3dd5 s LEU 198 Ca 0.00 0.89 0.01 0.00 -1.03 0.00 0.00 54.13 53.99 3dd5 s LEU 198 Cb 0.00 1.34 -0.03 0.00 0.03 0.00 0.00 46.19 47.53 3dd5 s LEU 198 CO 0.00 -0.19 -0.05 -0.36 0.23 0.00 0.00 176.35 175.98 3dd5 s PHE 199 N 1.42 0.51 0.00 0.29 0.08 -1.26 -5.06 117.98 113.96 3dd5 s PHE 199 Ca -0.09 -0.70 0.00 0.00 0.12 0.00 0.00 56.93 56.26 3dd5 s PHE 199 Cb -0.08 -0.33 0.00 0.00 -0.57 0.00 0.00 43.02 42.03 3dd5 s PHE 199 CO -0.13 -0.20 0.00 -0.89 -0.10 0.00 0.00 175.22 173.90 3dd5 n ILE 200 N 1.00 -0.73 0.00 0.64 5.41 -1.26 -4.74 119.36 119.68 3dd5 n ILE 200 Ca -0.20 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.55 3dd5 n ILE 200 Cb 0.57 -2.49 0.00 0.00 -0.71 0.00 0.00 39.64 37.01 3dd5 n ILE 200 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 3dd5 n LEU 201 N -0.69 0.00 -4.60 1.39 7.94 -1.26 -5.14 117.00 114.64 3dd5 n LEU 201 Ca 0.00 0.00 -0.49 0.00 -1.11 0.00 0.00 56.01 54.41 3dd5 n LEU 201 Cb 0.34 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.24 3dd5 n LEU 201 CO 0.00 0.00 0.86 -0.81 -1.11 0.00 0.00 177.39 176.33 3dd5 n PRO 202 N 0.00 1.32 -3.54 1.96 -0.04 -1.26 -4.95 135.00 128.49 3dd5 n PRO 202 Ca 0.00 0.47 -0.16 0.00 -0.04 0.00 0.00 63.50 63.77 3dd5 n PRO 202 Cb 0.00 -2.06 -0.06 0.00 -0.04 0.00 0.00 33.50 31.34 3dd5 n PRO 202 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dd5 s ALA 203 N 0.17 -1.58 0.18 0.55 0.00 -1.26 -5.14 121.76 114.68 3dd5 s ALA 203 Ca 0.77 1.00 -0.32 0.00 0.00 0.00 0.00 51.96 53.41 3dd5 s ALA 203 Cb -0.86 0.19 -0.11 0.00 0.00 0.00 0.00 23.12 22.34 3dd5 s ALA 203 CO 0.49 -0.44 1.67 -1.01 0.00 0.00 0.00 175.76 176.47 3dd5 s HIS 204 N -1.76 2.87 -0.33 0.00 3.76 -1.26 -4.93 115.29 113.63 3dd5 s HIS 204 Ca -0.09 0.41 -0.42 0.00 -0.15 0.00 0.00 55.06 54.82 3dd5 s HIS 204 Cb -0.01 -4.05 -0.17 0.00 1.11 0.00 0.00 32.58 29.46 3dd5 s HIS 204 CO 0.04 -4.00 1.69 0.34 -0.85 0.00 0.00 174.74 171.96 3dd5 n PHE 205 N 4.23 1.94 1.25 1.40 7.35 -1.26 -4.91 117.46 127.46 3dd5 n PHE 205 Ca 0.15 0.72 0.13 0.00 -0.76 0.00 0.00 57.45 57.69 3dd5 n PHE 205 Cb 0.37 -2.39 0.32 0.00 0.35 0.00 0.00 39.48 38.14 3dd5 n PHE 205 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3dd5 n LEU 206 N 4.87 1.64 -1.66 -2.13 4.77 -1.26 -4.55 117.00 118.68 3dd5 n LEU 206 Ca 0.28 -0.53 -0.12 0.00 -0.03 0.00 0.00 56.01 55.60 3dd5 n LEU 206 Cb 0.07 -0.04 0.08 0.00 -2.33 0.00 0.00 43.42 41.20 3dd5 n LEU 206 CO 0.83 0.29 0.21 -1.22 -1.33 0.00 0.00 177.39 176.17 3dd5 n TYR 207 N 0.03 1.73 0.40 -1.77 4.01 -1.26 -4.84 117.16 115.45 3dd5 n TYR 207 Ca 0.14 -1.94 -0.16 0.00 -0.16 0.00 0.00 57.90 55.78 3dd5 n TYR 207 Cb 0.41 -0.30 -0.08 0.00 -0.31 0.00 0.00 39.34 39.06 3dd5 n TYR 207 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 3dd5 h GLN 208 N 1.83 -1.00 -0.21 -0.72 5.75 -1.99 0.35 115.11 119.13 3dd5 h GLN 208 Ca 0.20 0.07 -0.18 0.00 -0.15 0.00 0.00 58.65 58.59 3dd5 h GLN 208 Cb 1.38 0.23 -0.00 0.00 1.07 0.00 0.00 27.48 30.15 3dd5 h GLN 208 CO 0.47 -0.67 -0.58 1.79 -2.65 0.00 0.00 178.83 177.19 3dd5 h THR 209 N -1.28 1.31 -0.62 2.39 1.35 -1.98 -0.06 112.91 114.02 3dd5 h THR 209 Ca -0.11 -1.82 0.11 0.00 -0.55 0.00 0.00 66.41 64.05 3dd5 h THR 209 Cb 0.80 1.77 -0.09 0.00 -1.73 0.00 0.00 68.15 68.90 3dd5 h THR 209 CO 0.17 0.57 0.15 0.44 -0.25 0.00 0.00 175.52 176.61 3dd5 h ASP 210 N 0.50 0.05 0.47 5.36 3.32 -1.90 0.14 116.42 124.37 3dd5 h ASP 210 Ca 0.00 0.11 -0.14 0.00 0.02 0.00 0.00 57.03 57.02 3dd5 h ASP 210 Cb 1.15 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.83 3dd5 h ASP 210 CO 0.12 0.03 -0.63 0.00 -1.72 0.00 0.00 179.24 177.04 3dd5 h ALA 211 N 1.48 0.88 0.02 3.45 0.00 0.10 -1.39 119.26 123.81 3dd5 h ALA 211 Ca 0.33 -0.56 -0.27 0.00 0.00 0.00 0.00 54.91 54.40 3dd5 h ALA 211 Cb 0.48 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3dd5 h ALA 211 CO -0.40 0.76 -1.48 0.00 0.00 0.00 0.00 179.25 178.13 3dd5 h ALA 212 N 1.25 0.55 0.00 0.00 0.00 -0.65 -3.38 119.26 117.03 3dd5 h ALA 212 Ca -0.01 -1.24 0.00 0.00 0.00 0.00 0.00 54.91 53.66 3dd5 h ALA 212 Cb 1.13 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3dd5 h ALA 212 CO 0.09 1.40 -0.13 0.28 0.00 0.00 0.00 179.25 180.89 3dd5 n VAL 213 N -3.22 0.45 0.13 0.00 0.31 0.47 -4.69 118.33 111.78 3dd5 n VAL 213 Ca -0.12 0.23 -0.14 0.00 -0.01 0.00 0.00 64.34 64.30 3dd5 n VAL 213 Cb 1.02 -1.43 -0.08 0.00 -0.91 0.00 0.00 33.84 32.44 3dd5 n VAL 213 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dd5 h ALA 214 N -0.66 -0.26 0.11 3.52 0.00 -1.51 -2.53 119.26 117.93 3dd5 h ALA 214 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3dd5 h ALA 214 Cb 0.13 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3dd5 h ALA 214 CO 0.00 -0.63 -0.05 0.00 0.00 0.00 0.00 179.25 178.56 3dd5 h ALA 215 N 0.50 -0.15 -0.22 0.00 0.00 -1.52 -1.42 119.26 116.44 3dd5 h ALA 215 Ca -0.03 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.88 3dd5 h ALA 215 Cb 0.23 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3dd5 h ALA 215 CO 0.04 -0.54 0.17 -1.35 0.00 0.00 0.00 179.25 177.57 3dd5 h PRO 216 N -0.24 0.00 -0.07 0.00 0.11 -1.77 0.11 132.00 130.14 3dd5 h PRO 216 Ca -0.02 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.06 3dd5 h PRO 216 Cb 0.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.30 3dd5 h PRO 216 CO 0.03 0.00 -0.10 -0.09 -0.21 0.00 0.00 178.00 177.63 3dd5 h ARG 217 N 0.00 0.19 0.55 1.05 2.43 -1.06 -0.51 114.38 117.04 3dd5 h ARG 217 Ca 0.10 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 3dd5 h ARG 217 Cb 0.45 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 3dd5 h ARG 217 CO -0.00 0.66 -0.35 0.35 -1.51 0.00 0.00 179.97 179.11 3dd5 h PHE 218 N -0.26 -0.93 -0.35 2.20 3.57 -0.71 -1.93 116.94 118.52 3dd5 h PHE 218 Ca 0.01 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.56 3dd5 h PHE 218 Cb 0.63 0.34 -0.06 0.00 2.79 0.00 0.00 35.95 39.65 3dd5 h PHE 218 CO 0.10 -0.53 -0.01 -0.07 -2.23 0.00 0.00 178.31 175.56 3dd5 h LEU 219 N -0.86 -0.17 -0.61 0.59 3.38 -0.84 -1.03 115.31 115.77 3dd5 h LEU 219 Ca -0.06 0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.08 3dd5 h LEU 219 Cb 0.71 0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.54 3dd5 h LEU 219 CO 0.06 -0.05 0.23 -0.61 0.09 0.00 0.00 178.44 178.16 3dd5 h GLN 220 N 0.08 0.41 -0.52 1.13 4.15 -1.09 -1.35 115.11 117.92 3dd5 h GLN 220 Ca 0.17 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.56 3dd5 h GLN 220 Cb 0.24 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 3dd5 h GLN 220 CO -0.30 0.27 0.31 0.00 -1.93 0.00 0.00 178.83 177.18 3dd5 h ALA 221 N 1.42 0.66 0.00 3.38 0.00 -0.41 -3.09 119.26 121.22 3dd5 h ALA 221 Ca 0.31 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 3dd5 h ALA 221 Cb 0.38 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3dd5 h ALA 221 CO -0.30 0.15 -0.46 0.00 0.00 0.00 0.00 179.25 178.64 3dd5 h ARG 222 N 0.69 0.00 -0.17 0.00 2.47 -0.88 -3.26 114.38 113.24 3dd5 h ARG 222 Ca 0.19 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.83 3dd5 h ARG 222 Cb -0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3dd5 h ARG 222 CO -0.03 0.46 -0.17 0.82 0.56 0.00 0.00 179.97 181.60 3dd5 h ILE 223 N 0.00 1.34 0.00 2.04 2.04 -1.18 -3.47 117.51 118.28 3dd5 h ILE 223 Ca -0.00 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.52 3dd5 h ILE 223 Cb 0.87 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 3dd5 h ILE 223 CO 0.06 0.40 0.00 0.61 0.00 0.00 0.00 178.15 179.22