#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k60 s SER -4 N 0.00 0.76 0.32 1.61 0.01 0.42 -4.86 113.70 111.97 2k60 s SER -4 Ca 0.00 -0.10 0.08 0.00 1.31 0.00 0.00 55.95 57.24 2k60 s SER -4 Cb 0.00 -0.31 0.54 0.00 0.21 0.00 0.00 66.02 66.46 2k60 s SER -4 CO 0.00 -0.03 1.74 0.45 0.41 0.00 0.00 173.24 175.81 2k60 h HIS -3 N 6.86 0.19 0.00 2.43 -0.00 -1.93 -2.64 115.15 120.06 2k60 h HIS -3 Ca -0.37 -0.05 0.00 0.00 -0.00 0.00 0.00 60.37 59.95 2k60 h HIS -3 Cb 1.16 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 28.53 2k60 h HIS -3 CO 0.48 0.54 0.00 0.00 -0.00 0.00 0.00 177.93 178.95 2k60 n MET -2 N -4.05 0.09 0.21 2.45 -0.00 -1.26 -2.39 117.12 112.17 2k60 n MET -2 Ca -0.01 0.39 0.08 0.00 -0.00 0.00 0.00 57.70 58.15 2k60 n MET -2 Cb 0.46 -1.69 0.40 0.00 -0.00 0.00 0.00 33.22 32.38 2k60 n MET -2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2k60 h ALA -1 N 2.30 1.02 -2.27 3.17 0.00 -1.77 -3.38 119.26 118.32 2k60 h ALA -1 Ca 0.00 -0.27 -0.74 0.00 0.00 0.00 0.00 54.91 53.90 2k60 h ALA -1 Cb 0.23 -0.05 -0.23 0.00 0.00 0.00 0.00 17.79 17.75 2k60 h ALA -1 CO 0.00 0.37 -0.31 0.45 0.00 0.00 0.00 179.25 179.76 2k60 s SER 0 N -6.32 6.15 -0.24 0.00 0.15 -1.01 -4.29 113.70 108.15 2k60 s SER 0 Ca 0.00 -1.39 -0.08 0.00 0.70 0.00 0.00 55.95 55.18 2k60 s SER 0 Cb 0.11 -2.19 -0.11 0.00 -1.71 0.00 0.00 66.02 62.11 2k60 s SER 0 CO 0.66 -0.68 -0.28 -1.20 1.20 0.00 0.00 173.24 172.94 2k60 n SER 58 N 5.22 1.84 0.00 5.45 7.64 -1.26 -4.99 113.62 127.51 2k60 n SER 58 Ca -0.13 0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.93 2k60 n SER 58 Cb 0.43 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 2k60 n SER 58 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k60 n GLU 59 N -3.83 0.00 0.03 1.43 -0.58 -1.26 -4.40 120.64 112.03 2k60 n GLU 59 Ca -0.45 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.27 2k60 n GLU 59 Cb 0.86 -0.18 -0.09 0.00 -0.57 0.00 0.00 31.44 31.46 2k60 n GLU 59 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 2k60 h ASP 60 N 0.00 0.00 -3.63 1.62 2.03 -1.99 -3.48 116.42 110.97 2k60 h ASP 60 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2k60 h ASP 60 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2k60 h ASP 60 CO 0.00 0.69 -0.42 -0.62 -1.03 0.00 0.00 179.24 177.86 2k60 n GLU 61 N -2.99 -2.44 0.00 4.15 1.02 -1.26 -5.05 120.64 114.07 2k60 n GLU 61 Ca -0.09 2.01 0.00 0.00 -0.02 0.00 0.00 57.16 59.06 2k60 n GLU 61 Cb 0.88 -1.89 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 2k60 n GLU 61 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2k60 n LYS 62 N 0.83 0.00 -3.55 3.49 3.00 -1.26 -5.07 118.16 115.60 2k60 n LYS 62 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.11 2k60 n LYS 62 Cb 0.00 -0.70 -0.02 0.00 0.00 0.00 0.00 35.03 34.31 2k60 n LYS 62 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2k60 s LEU 63 N -4.51 3.66 0.04 3.14 2.96 -1.26 -5.04 118.68 117.67 2k60 s LEU 63 Ca 0.00 -0.46 -0.09 0.00 -0.22 0.00 0.00 54.13 53.37 2k60 s LEU 63 Cb 0.00 -2.39 -0.31 0.00 0.50 0.00 0.00 46.19 43.99 2k60 s LEU 63 CO 0.00 -0.50 1.01 0.77 -1.32 0.00 0.00 176.35 176.31 2k60 h SER 64 N 1.02 0.58 -0.69 3.68 4.64 -2.01 -3.33 113.55 117.44 2k60 h SER 64 Ca -0.44 -0.67 0.02 0.00 -0.47 0.00 0.00 61.79 60.24 2k60 h SER 64 Cb 1.26 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 63.12 2k60 h SER 64 CO 0.55 1.53 0.44 0.15 -0.87 0.00 0.00 176.83 178.63 2k60 h PHE 65 N 0.10 0.83 -0.77 4.77 3.04 -1.99 -1.35 116.94 121.57 2k60 h PHE 65 Ca -0.21 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.74 2k60 h PHE 65 Cb 2.06 -0.27 -0.04 0.00 2.56 0.00 0.00 35.95 40.26 2k60 h PHE 65 CO 0.09 0.49 0.41 1.05 -2.02 0.00 0.00 178.31 178.33 2k60 h GLU 66 N 0.87 1.07 0.22 1.11 4.11 -1.98 0.16 114.58 120.14 2k60 h GLU 66 Ca 0.27 -0.13 -0.01 0.00 0.07 0.00 0.00 59.36 59.56 2k60 h GLU 66 Cb -0.02 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.02 2k60 h GLU 66 CO -0.09 0.80 -0.10 0.00 0.07 0.00 0.00 179.01 179.68 2k60 h ALA 67 N 1.37 -0.29 0.04 1.06 0.00 -1.49 0.75 119.26 120.71 2k60 h ALA 67 Ca 0.27 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2k60 h ALA 67 Cb 0.05 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2k60 h ALA 67 CO -0.04 -0.56 -0.19 0.28 0.00 0.00 0.00 179.25 178.73 2k60 h VAL 68 N -0.49 0.55 0.00 0.00 2.07 -0.90 -0.95 116.25 116.52 2k60 h VAL 68 Ca -0.03 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 2k60 h VAL 68 Cb 0.37 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2k60 h VAL 68 CO 0.05 0.00 -0.19 0.08 0.02 0.00 0.00 177.57 177.53 2k60 h ARG 69 N -0.34 0.00 -0.15 1.57 0.11 -0.69 -1.52 114.38 113.37 2k60 h ARG 69 Ca 0.04 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.11 2k60 h ARG 69 Cb 0.39 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.46 2k60 h ARG 69 CO -0.15 0.19 0.03 -0.97 0.10 0.00 0.00 179.97 179.17 2k60 h ASN 70 N 0.00 0.23 0.16 0.08 -1.24 0.45 0.55 115.58 115.81 2k60 h ASN 70 Ca -0.00 -0.24 -0.08 0.00 0.71 0.00 0.00 56.30 56.69 2k60 h ASN 70 Cb 0.37 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.35 2k60 h ASN 70 CO 0.02 0.41 -0.30 0.40 -1.29 0.00 0.00 177.43 176.67 2k60 h ILE 71 N 0.04 1.26 -0.21 2.57 5.03 -0.76 -1.07 117.51 124.38 2k60 h ILE 71 Ca 0.05 -1.24 -0.14 0.00 -0.12 0.00 0.00 64.86 63.40 2k60 h ILE 71 Cb 0.27 1.51 -0.01 0.00 -3.03 0.00 0.00 36.82 35.56 2k60 h ILE 71 CO 0.00 0.37 -0.48 0.45 -0.68 0.00 0.00 178.15 177.82 2k60 h HIS 72 N 0.21 0.66 0.00 1.37 3.86 -0.94 -2.82 115.15 117.49 2k60 h HIS 72 Ca 0.03 -0.21 -0.04 0.00 -1.16 0.00 0.00 60.37 58.99 2k60 h HIS 72 Cb 0.65 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 2k60 h HIS 72 CO 0.01 0.91 -0.20 1.57 0.86 0.00 0.00 177.93 181.08 2k60 h LYS 73 N 0.43 0.00 -0.37 2.45 5.09 0.79 -2.65 116.57 122.32 2k60 h LYS 73 Ca 0.02 0.00 0.11 0.00 0.09 0.00 0.00 60.65 60.87 2k60 h LYS 73 Cb 0.99 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.31 2k60 h LYS 73 CO 0.09 0.20 0.47 -0.07 -2.09 0.00 0.00 179.45 178.05 2k60 h LEU 74 N 0.00 0.00 0.00 7.07 3.38 -0.95 -2.84 115.31 121.97 2k60 h LEU 74 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 2k60 h LEU 74 Cb 0.62 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2k60 h LEU 74 CO 0.03 0.00 -1.18 0.23 0.09 0.00 0.00 178.44 177.61 2k60 n MET 75 N -3.54 0.54 -1.63 1.13 2.81 -1.00 -4.85 117.12 110.59 2k60 n MET 75 Ca 0.06 0.55 -0.46 0.00 -1.81 0.00 0.00 57.70 56.04 2k60 n MET 75 Cb 0.63 -1.73 -0.04 0.00 -0.71 0.00 0.00 33.22 31.37 2k60 n MET 75 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2k60 n ASP 76 N -4.46 3.36 -0.21 7.83 2.03 -1.07 -3.39 116.55 120.63 2k60 n ASP 76 Ca -0.28 0.71 0.01 0.00 0.52 0.00 0.00 54.79 55.75 2k60 n ASP 76 Cb 0.61 -1.42 0.13 0.00 -0.72 0.00 0.00 41.12 39.71 2k60 n ASP 76 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2k60 h ASP 77 N 11.22 0.12 0.13 1.67 3.58 -1.75 -2.54 116.42 128.84 2k60 h ASP 77 Ca -0.44 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.11 2k60 h ASP 77 Cb 1.27 0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.43 2k60 h ASP 77 CO 0.96 0.06 -0.69 -0.90 -2.88 0.00 0.00 179.24 175.79 2k60 n ASP 78 N -5.07 1.14 -3.33 2.28 5.75 -1.26 -5.00 116.55 111.06 2k60 n ASP 78 Ca 0.10 -0.95 -0.10 0.00 -0.01 0.00 0.00 54.79 53.82 2k60 n ASP 78 Cb 0.33 0.62 0.00 0.00 -1.03 0.00 0.00 41.12 41.04 2k60 n ASP 78 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k60 n ALA 79 N -1.06 -2.63 0.63 2.12 0.00 -0.96 -3.92 120.51 114.69 2k60 n ALA 79 Ca 0.06 -0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.55 2k60 n ALA 79 Cb 0.37 -1.34 0.06 0.00 0.00 0.00 0.00 19.45 18.53 2k60 n ALA 79 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2k60 n ASN 80 N -1.96 2.25 0.00 0.00 6.94 -1.26 -0.43 115.26 120.79 2k60 n ASN 80 Ca -0.11 -1.62 0.00 0.00 -0.02 0.00 0.00 54.58 52.82 2k60 n ASN 80 Cb 0.57 0.01 0.00 0.00 -2.36 0.00 0.00 39.78 38.01 2k60 n ASN 80 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k60 n GLY 81 N 0.86 1.21 2.76 4.83 0.00 -1.26 -4.79 105.19 108.81 2k60 n GLY 81 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 2k60 n GLY 81 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2k60 s ASP 82 N -1.78 0.73 -0.51 1.61 1.47 -1.26 -1.66 116.67 115.27 2k60 s ASP 82 Ca 0.00 0.01 -0.23 0.00 1.18 0.00 0.00 52.55 53.50 2k60 s ASP 82 Cb 0.00 -0.20 0.04 0.00 -0.34 0.00 0.00 42.92 42.41 2k60 s ASP 82 CO 0.00 -0.16 0.86 -0.69 0.68 0.00 0.00 175.17 175.86 2k60 s VAL 83 N 1.49 4.53 0.43 2.11 1.01 0.18 -4.88 120.40 125.27 2k60 s VAL 83 Ca -0.03 0.25 -0.11 0.00 0.00 0.00 0.00 61.98 62.08 2k60 s VAL 83 Cb -0.13 -4.44 -0.06 0.00 0.00 0.00 0.00 36.38 31.74 2k60 s VAL 83 CO -0.03 -0.95 0.82 -0.62 0.00 0.00 0.00 175.10 174.32 2k60 s ASP 84 N 2.60 6.52 0.35 3.32 2.15 -1.26 -0.60 116.67 129.75 2k60 s ASP 84 Ca 0.29 1.21 0.12 0.00 0.43 0.00 0.00 52.55 54.59 2k60 s ASP 84 Cb -0.13 -2.36 0.91 0.00 -0.30 0.00 0.00 42.92 41.04 2k60 s ASP 84 CO 0.20 -0.45 1.79 -0.37 -0.17 0.00 0.00 175.17 176.16 2k60 h VAL 85 N 1.00 0.65 0.00 1.11 -1.51 -1.94 0.35 116.25 115.90 2k60 h VAL 85 Ca -0.47 -0.20 -0.18 0.00 -1.23 0.00 0.00 66.70 64.62 2k60 h VAL 85 Cb 1.19 0.01 -0.03 0.00 -2.13 0.00 0.00 31.29 30.33 2k60 h VAL 85 CO 0.63 0.11 -0.90 -0.33 -1.23 0.00 0.00 177.57 175.85 2k60 h GLU 86 N 0.59 0.00 -0.16 5.19 5.08 -1.94 -3.07 114.58 120.27 2k60 h GLU 86 Ca 0.56 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.73 2k60 h GLU 86 Cb 1.12 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.38 2k60 h GLU 86 CO -0.32 0.81 -0.66 0.93 -1.00 0.00 0.00 179.01 178.77 2k60 h GLU 87 N 0.00 0.73 -0.02 2.33 5.08 -1.32 -2.78 114.58 118.61 2k60 h GLU 87 Ca -0.03 -0.57 0.00 0.00 -1.00 0.00 0.00 59.36 57.76 2k60 h GLU 87 Cb 1.67 0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.03 2k60 h GLU 87 CO 0.11 1.19 0.00 -1.13 -1.00 0.00 0.00 179.01 178.17 2k60 n SER 88 N -4.04 0.34 -0.41 1.42 3.41 -0.57 -2.69 113.62 111.07 2k60 n SER 88 Ca -0.07 -1.28 -0.10 0.00 -0.26 0.00 0.00 58.87 57.16 2k60 n SER 88 Cb 0.68 -0.01 -0.09 0.00 -0.26 0.00 0.00 64.21 64.53 2k60 n SER 88 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2k60 n ASP 89 N -0.66 -1.02 0.00 4.04 2.03 -1.05 -0.50 116.55 119.40 2k60 n ASP 89 Ca 0.19 1.73 -0.18 0.00 0.52 0.00 0.00 54.79 57.05 2k60 n ASP 89 Cb 0.14 -0.23 -0.14 0.00 -0.72 0.00 0.00 41.12 40.17 2k60 n ASP 89 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2k60 h GLU 90 N 0.00 0.18 -0.17 -0.67 4.81 -1.86 -3.39 114.58 113.48 2k60 h GLU 90 Ca 0.16 -0.31 0.02 0.00 -0.13 0.00 0.00 59.36 59.10 2k60 h GLU 90 Cb 0.41 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 2k60 h GLU 90 CO -0.92 1.15 -0.23 0.74 -0.73 0.00 0.00 179.01 179.02 2k60 h PHE 91 N -0.61 -0.71 -0.41 0.92 0.04 -1.48 -1.57 116.94 113.12 2k60 h PHE 91 Ca -0.11 0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.74 2k60 h PHE 91 Cb 1.41 0.33 -0.04 0.00 2.20 0.00 0.00 35.95 39.85 2k60 h PHE 91 CO 0.22 -0.20 0.16 1.25 -0.60 0.00 0.00 178.31 179.14 2k60 h LEU 92 N -0.16 0.19 0.08 1.54 5.85 -1.03 0.39 115.31 122.18 2k60 h LEU 92 Ca 0.03 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.80 2k60 h LEU 92 Cb 0.24 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 2k60 h LEU 92 CO -0.25 0.14 -0.31 0.03 -0.34 0.00 0.00 178.44 177.72 2k60 h ARG 93 N 0.33 -0.43 0.13 1.25 3.08 -1.62 -2.10 114.38 115.02 2k60 h ARG 93 Ca 0.19 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 2k60 h ARG 93 Cb 0.16 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2k60 h ARG 93 CO -0.18 -0.29 -0.06 0.93 -1.07 0.00 0.00 179.97 179.30 2k60 h GLU 94 N -0.45 -0.17 -0.11 0.04 4.39 -1.16 0.73 114.58 117.84 2k60 h GLU 94 Ca -0.01 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.74 2k60 h GLU 94 Cb 0.45 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2k60 h GLU 94 CO -0.16 0.18 0.16 0.22 -1.16 0.00 0.00 179.01 178.24 2k60 h ASP 95 N -0.98 0.00 0.00 1.42 3.58 -0.21 -1.42 116.42 118.81 2k60 h ASP 95 Ca -0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2k60 h ASP 95 Cb 0.42 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.47 2k60 h ASP 95 CO 0.03 0.00 -0.03 0.00 -2.88 0.00 0.00 179.24 176.36 2k60 n LEU 96 N -3.62 0.00 0.00 2.28 -0.00 -0.83 -3.57 117.00 111.27 2k60 n LEU 96 Ca -0.00 -0.02 0.11 0.00 -0.00 0.00 0.00 56.01 56.10 2k60 n LEU 96 Cb 0.26 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.53 2k60 n LEU 96 CO 0.25 0.00 -0.63 -3.20 -0.00 0.00 0.00 177.39 173.81 2k60 n ASN 97 N -0.08 0.14 -1.69 1.45 4.05 -0.21 -4.63 115.26 114.29 2k60 n ASN 97 Ca 0.00 0.01 -0.05 0.00 0.45 0.00 0.00 54.58 54.99 2k60 n ASN 97 Cb 0.00 1.76 -0.01 0.00 1.23 0.00 0.00 39.78 42.76 2k60 n ASN 97 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2k60 n TYR 98 N -2.29 -1.16 -2.71 1.20 4.11 0.24 -4.77 117.16 111.78 2k60 n TYR 98 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.87 2k60 n TYR 98 Cb 0.56 -1.67 0.00 0.00 -0.00 0.00 0.00 39.34 38.23 2k60 n TYR 98 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.86 177.58 2k60 n HIS 99 N -1.97 -0.68 -2.44 -3.48 8.25 -1.13 -4.92 115.22 108.85 2k60 n HIS 99 Ca -0.06 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.98 2k60 n HIS 99 Cb 0.32 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.41 2k60 n HIS 99 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2k60 s ASP 100 N -0.07 7.05 0.00 0.41 1.01 -1.26 -4.27 116.67 119.53 2k60 s ASP 100 Ca 0.00 1.86 0.00 0.00 0.71 0.00 0.00 52.55 55.12 2k60 s ASP 100 Cb 0.00 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.37 2k60 s ASP 100 CO 0.00 -0.57 0.95 -0.81 0.21 0.00 0.00 175.17 174.95 2k60 n PRO 101 N 5.02 1.00 -0.29 8.23 -0.04 -1.26 -3.81 135.00 143.84 2k60 n PRO 101 Ca 0.11 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.63 2k60 n PRO 101 Cb 0.46 -1.05 0.28 0.00 -0.04 0.00 0.00 33.50 33.15 2k60 n PRO 101 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2k60 h THR 102 N 0.00 1.00 0.28 0.52 2.02 -1.98 0.49 112.91 115.24 2k60 h THR 102 Ca 0.00 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 2k60 h THR 102 Cb 0.05 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.45 2k60 h THR 102 CO 0.00 0.17 -0.13 0.58 0.37 0.00 0.00 175.52 176.50 2k60 h VAL 103 N 0.93 0.74 -0.35 3.16 2.07 -1.98 0.64 116.25 121.46 2k60 h VAL 103 Ca 0.40 -0.12 -0.13 0.00 0.82 0.00 0.00 66.70 67.67 2k60 h VAL 103 Cb 0.34 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2k60 h VAL 103 CO -0.17 0.03 -0.28 0.50 0.02 0.00 0.00 177.57 177.67 2k60 h LYS 104 N -0.44 0.82 0.32 1.57 1.63 -1.55 0.20 116.57 119.11 2k60 h LYS 104 Ca -0.04 -0.41 -0.02 0.00 -0.85 0.00 0.00 60.65 59.34 2k60 h LYS 104 Cb 0.33 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 2k60 h LYS 104 CO 0.06 1.04 -0.15 0.45 -3.45 0.00 0.00 179.45 177.40 2k60 h HIS 105 N 0.61 -0.40 0.00 1.91 3.86 -0.05 -1.50 115.15 119.57 2k60 h HIS 105 Ca 0.06 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.21 2k60 h HIS 105 Cb 0.86 0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.45 2k60 h HIS 105 CO 0.06 -0.17 -0.25 0.77 0.86 0.00 0.00 177.93 179.20 2k60 h SER 106 N -0.55 0.00 -0.06 2.45 0.02 -0.86 -0.14 113.55 114.41 2k60 h SER 106 Ca -0.04 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 2k60 h SER 106 Cb 0.41 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 2k60 h SER 106 CO 0.07 0.25 -0.04 0.74 -1.14 0.00 0.00 176.83 176.71 2k60 h THR 107 N 0.00 1.34 0.33 -2.27 2.02 -0.51 -1.29 112.91 112.53 2k60 h THR 107 Ca -0.00 -1.09 -0.02 0.00 0.77 0.00 0.00 66.41 66.08 2k60 h THR 107 Cb 0.73 1.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.08 2k60 h THR 107 CO 0.03 0.30 -0.16 0.15 0.37 0.00 0.00 175.52 176.21 2k60 h PHE 108 N -0.26 -0.41 -0.01 3.16 3.57 -1.07 -3.35 116.94 118.56 2k60 h PHE 108 Ca 0.01 -0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.31 2k60 h PHE 108 Cb 0.50 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 2k60 h PHE 108 CO 0.07 -0.25 -0.84 1.25 -2.23 0.00 0.00 178.31 176.31 2k60 h HIS 109 N -1.11 0.36 0.00 0.41 2.76 -1.19 -3.47 115.15 112.90 2k60 h HIS 109 Ca -0.05 -0.19 0.00 0.00 -2.20 0.00 0.00 60.37 57.94 2k60 h HIS 109 Cb 0.34 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.25 2k60 h HIS 109 CO 0.00 0.98 0.00 0.41 -1.30 0.00 0.00 177.93 178.02 2k60 n GLY 110 N 0.79 1.80 0.04 5.26 0.00 -0.49 -4.26 105.19 108.34 2k60 n GLY 110 Ca -0.04 -0.16 0.14 0.00 0.00 0.00 0.00 46.02 45.96 2k60 n GLY 110 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k60 n GLU 111 N 0.00 0.35 -2.10 1.61 2.13 -1.26 -4.81 120.64 116.56 2k60 n GLU 111 Ca 0.00 -0.08 -0.03 0.00 0.66 0.00 0.00 57.16 57.71 2k60 n GLU 111 Cb 0.00 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.22 2k60 n GLU 111 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2k60 n ASP 112 N -1.25 -4.60 0.00 4.31 2.03 -1.26 -5.02 116.55 110.76 2k60 n ASP 112 Ca 0.11 0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.63 2k60 n ASP 112 Cb 0.29 -2.92 0.00 0.00 -0.72 0.00 0.00 41.12 37.77 2k60 n ASP 112 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2k60 n LYS 113 N -0.51 0.00 -3.48 -0.67 5.02 -1.26 -4.96 118.16 112.31 2k60 n LYS 113 Ca 0.05 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.98 2k60 n LYS 113 Cb 0.23 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.19 2k60 n LYS 113 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k60 s LEU 114 N 0.00 4.38 -0.38 -0.35 1.43 -1.25 -3.82 118.68 118.68 2k60 s LEU 114 Ca 0.00 0.94 -0.03 0.00 -1.03 0.00 0.00 54.13 54.01 2k60 s LEU 114 Cb 0.00 -3.00 0.09 0.00 0.03 0.00 0.00 46.19 43.31 2k60 s LEU 114 CO 0.00 0.18 0.16 -0.63 0.23 0.00 0.00 176.35 176.29 2k60 s ILE 115 N -1.35 3.30 -0.08 -0.59 -1.09 0.23 -4.52 121.20 117.11 2k60 s ILE 115 Ca 0.33 -1.82 -0.01 0.00 -2.23 0.00 0.00 60.65 56.92 2k60 s ILE 115 Cb -0.15 -3.15 -0.03 0.00 -1.58 0.00 0.00 42.46 37.55 2k60 s ILE 115 CO 0.18 -0.52 -0.03 -0.44 -1.23 0.00 0.00 174.94 172.89 2k60 s SER 116 N 1.69 4.97 0.28 3.58 0.01 -1.26 -0.65 113.70 122.33 2k60 s SER 116 Ca 0.04 0.06 -0.01 0.00 1.31 0.00 0.00 55.95 57.36 2k60 s SER 116 Cb -0.22 -1.37 0.46 0.00 0.21 0.00 0.00 66.02 65.10 2k60 s SER 116 CO -0.03 0.36 1.90 -0.37 0.41 0.00 0.00 173.24 175.51 2k60 h VAL 117 N 4.25 1.09 -0.07 3.43 -1.51 -1.70 0.13 116.25 121.87 2k60 h VAL 117 Ca -0.49 -0.38 -0.17 0.00 -1.23 0.00 0.00 66.70 64.43 2k60 h VAL 117 Cb 1.18 -0.13 0.01 0.00 -2.13 0.00 0.00 31.29 30.23 2k60 h VAL 117 CO 0.54 0.20 -0.62 1.05 -1.23 0.00 0.00 177.57 177.51 2k60 h GLU 118 N 1.12 0.55 -0.56 5.19 4.11 -1.96 0.47 114.58 123.50 2k60 h GLU 118 Ca 0.41 -0.50 -0.08 0.00 0.07 0.00 0.00 59.36 59.26 2k60 h GLU 118 Cb 0.16 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2k60 h GLU 118 CO -0.15 1.12 0.04 -0.44 0.07 0.00 0.00 179.01 179.65 2k60 h ASP 119 N 0.15 0.90 -0.60 3.06 3.32 -1.87 -1.40 116.42 119.98 2k60 h ASP 119 Ca -0.06 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 56.71 2k60 h ASP 119 Cb 1.28 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 2k60 h ASP 119 CO 0.13 0.94 0.14 -0.07 -1.72 0.00 0.00 179.24 178.66 2k60 h LEU 120 N 0.87 0.91 -0.05 1.55 3.38 -0.69 0.06 115.31 121.34 2k60 h LEU 120 Ca 0.17 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.93 2k60 h LEU 120 Cb 0.46 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2k60 h LEU 120 CO 0.02 0.91 -0.10 -0.25 0.09 0.00 0.00 178.44 179.11 2k60 h TRP 121 N 0.87 -0.25 -0.09 1.13 7.01 -0.33 0.38 115.95 124.65 2k60 h TRP 121 Ca 0.19 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.21 2k60 h TRP 121 Cb 0.36 0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.53 2k60 h TRP 121 CO 0.03 -0.15 0.02 0.87 -2.79 0.00 0.00 178.44 176.41 2k60 h LYS 122 N -0.15 0.06 -0.24 2.65 6.56 -1.15 -1.75 116.57 122.55 2k60 h LYS 122 Ca 0.06 -0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.66 2k60 h LYS 122 Cb 0.23 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.86 2k60 h LYS 122 CO -0.14 0.04 0.12 0.00 -2.06 0.00 0.00 179.45 177.41 2k60 h ALA 123 N 1.07 0.29 -0.64 3.86 0.00 -0.66 -2.39 119.26 120.79 2k60 h ALA 123 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.04 2k60 h ALA 123 Cb 0.03 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 2k60 h ALA 123 CO -0.05 -0.27 0.28 2.35 0.00 0.00 0.00 179.25 181.55 2k60 h TRP 124 N 0.26 0.50 -0.93 0.00 7.01 -0.09 0.30 115.95 123.01 2k60 h TRP 124 Ca 0.10 0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.14 2k60 h TRP 124 Cb 0.02 -0.13 -0.05 0.00 -2.10 0.00 0.00 29.16 26.90 2k60 h TRP 124 CO -0.09 0.17 0.61 0.87 -2.79 0.00 0.00 178.44 177.21 2k60 h LYS 125 N 0.50 1.19 -0.01 2.65 1.57 -0.87 -2.22 116.57 119.38 2k60 h LYS 125 Ca 0.31 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2k60 h LYS 125 Cb 0.34 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2k60 h LYS 125 CO -0.27 0.79 -0.33 0.45 -0.57 0.00 0.00 179.45 179.52 2k60 n SER 126 N -4.41 0.85 -4.92 0.86 2.88 -0.46 -4.54 113.62 103.88 2k60 n SER 126 Ca 0.11 -0.68 -0.27 0.00 -1.33 0.00 0.00 58.87 56.70 2k60 n SER 126 Cb 0.05 0.16 0.08 0.00 -0.75 0.00 0.00 64.21 63.75 2k60 n SER 126 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2k60 s SER 127 N -2.65 4.68 0.48 -3.46 0.01 0.92 -4.94 113.70 108.74 2k60 s SER 127 Ca 0.20 0.59 0.21 0.00 1.31 0.00 0.00 55.95 58.27 2k60 s SER 127 Cb 0.19 -1.18 1.22 0.00 0.21 0.00 0.00 66.02 66.46 2k60 s SER 127 CO 0.57 -1.73 2.02 -0.33 0.41 0.00 0.00 173.24 174.19 2k60 h GLU 128 N -0.79 0.00 0.16 12.44 5.08 -1.89 -3.22 114.58 126.35 2k60 h GLU 128 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2k60 h GLU 128 Cb 1.32 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.54 2k60 h GLU 128 CO 0.63 0.16 -0.38 0.28 -1.00 0.00 0.00 179.01 178.70 2k60 h VAL 129 N 0.00 0.00 0.00 3.13 2.07 -1.89 -0.56 116.25 119.00 2k60 h VAL 129 Ca -0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2k60 h VAL 129 Cb 0.36 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 2k60 h VAL 129 CO 0.02 0.00 -0.11 0.22 0.02 0.00 0.00 177.57 177.73 2k60 h TYR 130 N -0.60 0.00 0.00 1.57 3.20 -1.54 -1.33 116.97 118.28 2k60 h TYR 130 Ca -0.02 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.74 2k60 h TYR 130 Cb 0.57 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 2k60 h TYR 130 CO -0.35 0.11 -0.53 -0.97 -1.64 0.00 0.00 178.16 174.77 2k60 h ASN 131 N 0.00 0.00 -2.69 -2.11 -0.73 -1.46 -3.39 115.58 105.20 2k60 h ASN 131 Ca -0.00 0.00 -0.53 0.00 1.87 0.00 0.00 56.30 57.64 2k60 h ASN 131 Cb 0.38 0.00 0.02 0.00 0.27 0.00 0.00 38.32 39.00 2k60 h ASN 131 CO 0.01 0.53 0.99 0.26 -0.37 0.00 0.00 177.43 178.86 2k60 s TRP 132 N -3.27 2.48 0.56 0.67 0.51 -0.27 -4.91 118.94 114.71 2k60 s TRP 132 Ca 0.01 0.34 -0.10 0.00 -2.12 0.00 0.00 56.10 54.23 2k60 s TRP 132 Cb 0.10 -3.97 0.13 0.00 -0.81 0.00 0.00 33.47 28.92 2k60 s TRP 132 CO 0.73 -3.87 0.73 -2.37 -0.51 0.00 0.00 176.95 171.67 2k60 n THR 133 N 4.64 0.00 -0.17 2.01 5.66 -1.26 -1.00 114.28 124.16 2k60 n THR 133 Ca 0.16 -0.52 -0.09 0.00 -3.05 0.00 0.00 64.05 60.55 2k60 n THR 133 Cb 0.40 -1.66 0.00 0.00 -1.55 0.00 0.00 70.33 67.52 2k60 n THR 133 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 2k60 h VAL 134 N -1.51 1.24 -0.85 1.08 2.07 -1.95 -0.77 116.25 115.56 2k60 h VAL 134 Ca -0.24 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.42 2k60 h VAL 134 Cb 0.67 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 2k60 h VAL 134 CO 0.17 0.30 0.42 -0.78 0.02 0.00 0.00 177.57 177.69 2k60 h ASP 135 N 0.65 1.10 -0.15 0.57 3.58 -1.94 0.37 116.42 120.59 2k60 h ASP 135 Ca 0.15 -0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 2k60 h ASP 135 Cb 0.32 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 2k60 h ASP 135 CO 0.00 0.92 0.01 -0.33 -2.88 0.00 0.00 179.24 176.96 2k60 h GLU 136 N 1.21 0.27 -0.24 0.28 4.39 -1.85 -1.44 114.58 117.19 2k60 h GLU 136 Ca 0.29 -0.08 -0.09 0.00 0.34 0.00 0.00 59.36 59.82 2k60 h GLU 136 Cb 0.10 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 2k60 h GLU 136 CO -0.04 0.47 -0.24 -0.24 -1.16 0.00 0.00 179.01 177.81 2k60 h VAL 137 N 0.02 1.26 0.34 3.13 3.04 -0.89 -0.34 116.25 122.81 2k60 h VAL 137 Ca 0.04 -1.22 -0.02 0.00 -1.01 0.00 0.00 66.70 64.49 2k60 h VAL 137 Cb 0.35 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 30.97 2k60 h VAL 137 CO 0.01 0.39 -0.16 0.58 -1.01 0.00 0.00 177.57 177.37 2k60 h VAL 138 N 0.40 0.68 -0.09 1.51 2.07 -0.73 0.47 116.25 120.56 2k60 h VAL 138 Ca 0.06 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 2k60 h VAL 138 Cb 0.64 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2k60 h VAL 138 CO 0.05 0.01 -0.22 0.06 0.02 0.00 0.00 177.57 177.49 2k60 h GLN 139 N -0.48 0.14 -0.12 1.57 3.07 -1.11 -1.20 115.11 116.98 2k60 h GLN 139 Ca -0.05 -0.04 -0.07 0.00 0.09 0.00 0.00 58.65 58.59 2k60 h GLN 139 Cb 0.37 -0.02 -0.00 0.00 0.08 0.00 0.00 27.48 27.91 2k60 h GLN 139 CO 0.08 0.36 -0.20 2.35 0.09 0.00 0.00 178.83 181.51 2k60 h TRP 140 N 0.13 0.42 -0.77 0.06 2.91 -0.71 -0.72 115.95 117.28 2k60 h TRP 140 Ca 0.02 -0.15 -0.05 0.00 1.13 0.00 0.00 58.89 59.85 2k60 h TRP 140 Cb 0.46 -0.08 -0.03 0.00 -0.51 0.00 0.00 29.16 29.00 2k60 h TRP 140 CO 0.00 0.80 0.30 1.37 -1.03 0.00 0.00 178.44 179.89 2k60 h LEU 141 N -0.08 1.06 -0.06 0.65 8.10 0.24 0.47 115.31 125.70 2k60 h LEU 141 Ca 0.01 -0.17 -0.05 0.00 0.11 0.00 0.00 57.88 57.78 2k60 h LEU 141 Cb 0.77 -0.28 0.00 0.00 -0.44 0.00 0.00 40.66 40.71 2k60 h LEU 141 CO 0.04 0.95 -0.15 0.16 -4.11 0.00 0.00 178.44 175.33 2k60 h ILE 142 N 1.12 1.43 0.00 0.15 3.07 -1.19 0.49 117.51 122.57 2k60 h ILE 142 Ca 0.26 -1.50 -0.03 0.00 1.55 0.00 0.00 64.86 65.14 2k60 h ILE 142 Cb 0.22 2.26 -0.00 0.00 -0.27 0.00 0.00 36.82 39.03 2k60 h ILE 142 CO -0.02 0.42 -0.14 0.00 -1.05 0.00 0.00 178.15 177.36 2k60 h THR 143 N -0.30 0.44 0.00 0.16 1.03 -0.89 -0.31 112.91 113.04 2k60 h THR 143 Ca -0.00 -0.77 -0.30 0.00 -0.01 0.00 0.00 66.41 65.33 2k60 h THR 143 Cb 0.75 1.55 -0.05 0.00 -1.07 0.00 0.00 68.15 69.33 2k60 h THR 143 CO 0.03 0.14 -2.03 -1.22 -0.01 0.00 0.00 175.52 172.43 2k60 n TYR 144 N -3.40 0.00 0.08 0.00 4.01 0.14 -4.68 117.16 113.31 2k60 n TYR 144 Ca -0.01 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.80 2k60 n TYR 144 Cb 0.33 -0.67 -0.03 0.00 -0.31 0.00 0.00 39.34 38.66 2k60 n TYR 144 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2k60 h VAL 145 N -0.51 0.24 -2.72 -0.72 2.07 -0.11 -3.48 116.25 111.02 2k60 h VAL 145 Ca -0.45 -1.45 -0.16 0.00 0.82 0.00 0.00 66.70 65.45 2k60 h VAL 145 Cb 1.46 1.78 0.05 0.00 -1.52 0.00 0.00 31.29 33.05 2k60 h VAL 145 CO -0.23 0.14 -0.26 -0.62 0.02 0.00 0.00 177.57 176.61 2k60 n GLU 146 N -2.81 -2.87 -3.82 1.57 1.02 -0.13 -4.91 120.64 108.69 2k60 n GLU 146 Ca -0.04 0.34 -0.36 0.00 -0.02 0.00 0.00 57.16 57.08 2k60 n GLU 146 Cb 0.67 -3.91 -0.13 0.00 -0.02 0.00 0.00 31.44 28.06 2k60 n GLU 146 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k60 s LEU 147 N -3.37 4.51 -0.01 -4.62 1.43 -1.25 -4.96 118.68 110.41 2k60 s LEU 147 Ca 0.21 -1.53 0.03 0.00 -1.03 0.00 0.00 54.13 51.80 2k60 s LEU 147 Cb -0.09 -1.79 0.09 0.00 0.03 0.00 0.00 46.19 44.43 2k60 s LEU 147 CO 0.25 -0.39 0.93 -0.81 0.23 0.00 0.00 176.35 176.57 2k60 n PRO 148 N 4.66 1.32 -0.78 1.29 -0.05 -1.26 -3.60 135.00 136.57 2k60 n PRO 148 Ca -0.09 -0.36 -0.01 0.00 -0.05 0.00 0.00 63.50 62.99 2k60 n PRO 148 Cb 0.43 -1.25 0.27 0.00 -0.05 0.00 0.00 33.50 32.90 2k60 n PRO 148 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2k60 n GLN 149 N -0.12 3.53 -0.32 0.54 0.00 -1.26 -4.55 117.38 115.20 2k60 n GLN 149 Ca 0.03 -2.46 0.03 0.00 0.00 0.00 0.00 57.00 54.61 2k60 n GLN 149 Cb 0.18 -2.06 0.17 0.00 0.00 0.00 0.00 30.24 28.53 2k60 n GLN 149 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.06 177.16 2k60 h TYR 150 N 2.52 0.98 -0.13 2.61 -0.00 -1.96 -1.37 116.97 119.63 2k60 h TYR 150 Ca 0.13 0.03 0.04 0.00 -0.00 0.00 0.00 58.73 58.93 2k60 h TYR 150 Cb 1.89 -0.31 -0.04 0.00 -0.00 0.00 0.00 36.73 38.27 2k60 h TYR 150 CO 0.97 0.44 -0.12 1.49 -0.00 0.00 0.00 178.16 180.94 2k60 h GLU 151 N 0.93 -0.14 0.26 0.10 4.81 -1.93 0.13 114.58 118.73 2k60 h GLU 151 Ca 0.41 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.64 2k60 h GLU 151 Cb 0.30 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 2k60 h GLU 151 CO -0.22 -0.10 -0.15 0.93 -0.73 0.00 0.00 179.01 178.75 2k60 h GLU 152 N -0.15 -0.37 -0.49 1.92 4.39 -1.70 -0.77 114.58 117.42 2k60 h GLU 152 Ca 0.09 0.03 -0.13 0.00 0.34 0.00 0.00 59.36 59.68 2k60 h GLU 152 Cb 0.28 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 2k60 h GLU 152 CO -0.22 -0.25 -0.19 0.00 -1.16 0.00 0.00 179.01 177.19 2k60 h THR 153 N -0.38 1.27 -0.28 1.13 1.03 -1.06 -0.14 112.91 114.47 2k60 h THR 153 Ca -0.03 -1.36 -0.10 0.00 -0.01 0.00 0.00 66.41 64.91 2k60 h THR 153 Cb 0.31 1.10 -0.01 0.00 -1.07 0.00 0.00 68.15 68.48 2k60 h THR 153 CO 0.04 0.47 -0.27 2.19 -0.01 0.00 0.00 175.52 177.94 2k60 h PHE 154 N 0.86 0.62 0.00 0.00 -5.15 -0.63 -0.21 116.94 112.43 2k60 h PHE 154 Ca 0.11 -0.14 -0.12 0.00 -0.20 0.00 0.00 57.97 57.62 2k60 h PHE 154 Cb 0.77 -0.15 -0.02 0.00 0.22 0.00 0.00 35.95 36.78 2k60 h PHE 154 CO 0.05 0.77 -0.57 0.07 -2.00 0.00 0.00 178.31 176.63 2k60 h ARG 155 N 0.48 0.00 0.01 6.09 0.11 -0.84 0.18 114.38 120.41 2k60 h ARG 155 Ca 0.07 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.15 2k60 h ARG 155 Cb 0.72 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.80 2k60 h ARG 155 CO 0.05 0.57 -0.01 0.87 0.10 0.00 0.00 179.97 181.56 2k60 h LYS 156 N 0.00 -0.02 0.00 0.08 1.79 -0.35 -3.41 116.57 114.66 2k60 h LYS 156 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2k60 h LYS 156 Cb 1.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 2k60 h LYS 156 CO 0.07 0.75 0.00 1.47 -1.08 0.00 0.00 179.45 180.67 2k60 n LEU 157 N -4.71 0.24 -2.90 2.94 -0.00 -0.15 -5.06 117.00 107.35 2k60 n LEU 157 Ca -0.09 -0.57 -0.05 0.00 -0.00 0.00 0.00 56.01 55.30 2k60 n LEU 157 Cb 0.38 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.80 2k60 n LEU 157 CO 0.32 0.06 -0.36 0.00 -0.00 0.00 0.00 177.39 177.41 2k60 n GLN 158 N -0.67 -2.55 -2.05 1.47 6.02 0.63 -4.99 117.38 115.25 2k60 n GLN 158 Ca 0.00 2.18 -0.29 0.00 -0.01 0.00 0.00 57.00 58.87 2k60 n GLN 158 Cb 0.01 -4.38 0.03 0.00 1.02 0.00 0.00 30.24 26.92 2k60 n GLN 158 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 2k60 s LEU 159 N -1.79 3.10 0.00 1.08 2.34 -1.26 -4.85 118.68 117.30 2k60 s LEU 159 Ca 0.08 1.10 0.00 0.00 0.06 0.00 0.00 54.13 55.37 2k60 s LEU 159 Cb -0.02 -3.97 0.00 0.00 -0.56 0.00 0.00 46.19 41.64 2k60 s LEU 159 CO 0.65 -1.11 0.00 -1.54 -1.06 0.00 0.00 176.35 173.28 2k60 n SER 160 N -2.80 0.00 0.30 1.48 3.41 -1.26 -3.61 113.62 111.14 2k60 n SER 160 Ca 0.06 -0.08 0.17 0.00 -0.26 0.00 0.00 58.87 58.76 2k60 n SER 160 Cb 0.56 0.00 0.93 0.00 -0.26 0.00 0.00 64.21 65.45 2k60 n SER 160 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2k60 h GLY 161 N 0.00 0.00 1.44 5.00 0.00 -1.12 0.25 103.07 108.64 2k60 h GLY 161 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 2k60 h GLY 161 CO 0.00 0.00 -1.38 0.84 0.00 0.00 0.00 176.54 176.00 2k60 h HIS 162 N 0.00 0.58 -0.05 5.60 -0.00 -1.83 -3.30 115.15 116.15 2k60 h HIS 162 Ca -0.00 -0.43 -0.15 0.00 -0.00 0.00 0.00 60.37 59.79 2k60 h HIS 162 Cb 0.17 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.54 2k60 h HIS 162 CO 0.00 1.37 -0.64 0.00 -0.00 0.00 0.00 177.93 178.66 2k60 h ALA 163 N 0.46 0.81 -0.64 5.26 0.00 -1.55 -2.31 119.26 121.30 2k60 h ALA 163 Ca -0.19 -0.57 0.10 0.00 0.00 0.00 0.00 54.91 54.25 2k60 h ALA 163 Cb 2.03 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 19.62 2k60 h ALA 163 CO 0.21 0.76 -0.41 0.52 0.00 0.00 0.00 179.25 180.33 2k60 h MET 164 N 0.15 -0.17 -0.21 0.00 2.86 -0.65 0.91 114.93 117.82 2k60 h MET 164 Ca -0.01 0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 2k60 h MET 164 Cb 1.16 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.86 2k60 h MET 164 CO 0.10 -0.12 -0.24 -1.00 1.06 0.00 0.00 176.91 176.71 2k60 h PRO 165 N -0.18 0.52 0.00 -0.22 0.13 -1.73 -2.57 132.00 127.96 2k60 h PRO 165 Ca 0.21 -0.29 -0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2k60 h PRO 165 Cb 0.56 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.70 2k60 h PRO 165 CO -0.73 0.88 -0.01 0.07 -0.23 0.00 0.00 178.00 177.98 2k60 h ARG 166 N 0.20 0.00 0.00 0.86 -0.00 -0.61 -1.02 114.38 113.81 2k60 h ARG 166 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.01 2k60 h ARG 166 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.77 2k60 h ARG 166 CO 0.06 0.01 -0.84 1.47 -0.00 0.00 0.00 179.97 180.67 2k60 n LEU 167 N -4.12 0.63 0.08 0.08 -0.00 0.30 -3.88 117.00 110.10 2k60 n LEU 167 Ca -0.03 0.03 0.11 0.00 -0.00 0.00 0.00 56.01 56.12 2k60 n LEU 167 Cb 0.09 -0.14 0.45 0.00 -0.00 0.00 0.00 43.42 43.83 2k60 n LEU 167 CO 0.30 0.04 0.85 0.00 -0.00 0.00 0.00 177.39 178.58 2k60 n ALA 168 N -1.76 1.91 -3.58 1.47 0.00 -0.39 -4.51 120.51 113.64 2k60 n ALA 168 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.13 2k60 n ALA 168 Cb 0.42 -1.39 -0.14 0.00 0.00 0.00 0.00 19.45 18.34 2k60 n ALA 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k60 s VAL 169 N -3.15 3.19 0.28 0.00 0.11 -1.22 -4.25 120.40 115.35 2k60 s VAL 169 Ca 0.08 -0.66 0.00 0.00 -2.93 0.00 0.00 61.98 58.46 2k60 s VAL 169 Cb 0.11 -2.49 0.00 0.00 -1.53 0.00 0.00 36.38 32.47 2k60 s VAL 169 CO 0.44 0.36 0.00 0.35 -3.33 0.00 0.00 175.10 172.92 2k60 n THR 170 N 4.76-10.29 -0.07 5.04 -2.24 -1.26 -4.56 114.28 105.66 2k60 n THR 170 Ca -0.18 3.07 0.01 0.00 -2.27 0.00 0.00 64.05 64.69 2k60 n THR 170 Cb 0.50 -4.65 0.33 0.00 -2.10 0.00 0.00 70.33 64.40 2k60 n THR 170 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 2k60 h ASN 171 N 3.73 0.61 -1.00 3.42 -1.24 -1.86 -2.37 115.58 116.87 2k60 h ASN 171 Ca 0.00 -0.04 0.12 0.00 0.71 0.00 0.00 56.30 57.08 2k60 h ASN 171 Cb 0.00 -0.15 -0.08 0.00 0.73 0.00 0.00 38.32 38.81 2k60 h ASN 171 CO 0.00 0.50 0.63 0.71 -1.29 0.00 0.00 177.43 177.99 2k60 h THR 172 N 0.69 0.94 -0.08 -3.57 1.35 -1.90 0.16 112.91 110.50 2k60 h THR 172 Ca 0.18 -0.34 -0.00 0.00 -0.55 0.00 0.00 66.41 65.69 2k60 h THR 172 Cb 0.04 -0.15 -0.00 0.00 -1.73 0.00 0.00 68.15 66.30 2k60 h THR 172 CO -0.03 0.18 0.03 0.74 -0.25 0.00 0.00 175.52 176.20 2k60 h THR 173 N 1.00 1.12 0.14 6.82 2.02 -1.67 -3.29 112.91 119.06 2k60 h THR 173 Ca 0.49 -0.36 -0.28 0.00 0.77 0.00 0.00 66.41 67.02 2k60 h THR 173 Cb 0.46 1.23 0.01 0.00 -1.74 0.00 0.00 68.15 68.11 2k60 h THR 173 CO -0.25 0.11 -1.25 -0.03 0.37 0.00 0.00 175.52 174.46 2k60 h MET 174 N -0.01 0.35 -6.09 6.66 1.85 -1.28 -3.42 114.93 112.98 2k60 h MET 174 Ca 0.03 -0.56 -0.52 0.00 -0.61 0.00 0.00 59.70 58.04 2k60 h MET 174 Cb 0.14 0.20 -0.04 0.00 0.43 0.00 0.00 31.60 32.33 2k60 h MET 174 CO -0.00 1.26 1.29 -0.08 -0.40 0.00 0.00 176.91 178.97 2k60 s THR 175 N -2.73 3.45 0.09 -0.77 -1.32 0.47 -4.82 115.64 110.02 2k60 s THR 175 Ca -0.05 0.30 -0.16 0.00 -1.21 0.00 0.00 61.69 60.57 2k60 s THR 175 Cb 0.07 -4.07 -0.09 0.00 -1.51 0.00 0.00 72.50 66.90 2k60 s THR 175 CO 0.90 -0.99 1.43 1.23 -2.21 0.00 0.00 174.62 174.98 2k60 h GLY 176 N 15.44 0.68 0.00 6.08 0.00 -1.85 -3.46 103.07 119.96 2k60 h GLY 176 Ca -0.27 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.41 2k60 h GLY 176 CO 1.20 0.59 0.00 2.41 0.00 0.00 0.00 176.54 180.74 2k60 n THR 177 N -4.37 0.00 -3.71 4.70 -1.04 -1.26 -5.05 114.28 103.55 2k60 n THR 177 Ca -0.04 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.68 2k60 n THR 177 Cb 0.41 -0.01 -0.14 0.00 -1.82 0.00 0.00 70.33 68.77 2k60 n THR 177 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2k60 s VAL 178 N -0.04 1.03 -0.05 12.58 1.01 -1.26 -4.96 120.40 128.71 2k60 s VAL 178 Ca 0.00 -1.82 -0.04 0.00 0.00 0.00 0.00 61.98 60.11 2k60 s VAL 178 Cb 0.00 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 2k60 s VAL 178 CO 0.00 -0.77 -0.08 0.18 0.00 0.00 0.00 175.10 174.43 2k60 n LEU 179 N 4.35 0.52 -3.89 3.92 4.32 -1.26 -4.94 117.00 120.01 2k60 n LEU 179 Ca 0.03 0.18 -0.11 0.00 -0.02 0.00 0.00 56.01 56.09 2k60 n LEU 179 Cb 0.39 -0.58 -0.12 0.00 -1.62 0.00 0.00 43.42 41.49 2k60 n LEU 179 CO 0.16 -0.46 -0.30 -0.75 -1.22 0.00 0.00 177.39 174.82 2k60 s LYS 180 N -1.46 0.17 0.00 3.23 2.47 -1.26 -4.80 119.74 118.09 2k60 s LYS 180 Ca -0.07 -0.14 -0.20 0.00 -1.56 0.00 0.00 55.97 54.00 2k60 s LYS 180 Cb 0.01 0.07 -0.23 0.00 -1.46 0.00 0.00 37.83 36.21 2k60 s LYS 180 CO 0.10 -0.03 1.10 0.52 0.16 0.00 0.00 175.35 177.20 2k60 h MET 181 N 5.53 0.40 -6.57 4.03 2.86 -2.00 -3.43 114.93 115.76 2k60 h MET 181 Ca -0.27 -0.43 -0.56 0.00 -2.06 0.00 0.00 59.70 56.38 2k60 h MET 181 Cb 1.21 0.12 -0.07 0.00 0.06 0.00 0.00 31.60 32.92 2k60 h MET 181 CO 0.45 1.10 0.91 0.95 1.06 0.00 0.00 176.91 181.38 2k60 s THR 182 N -3.21 4.28 0.13 2.22 -4.23 -1.26 -4.92 115.64 108.65 2k60 s THR 182 Ca -0.13 1.37 -0.25 0.00 -1.18 0.00 0.00 61.69 61.49 2k60 s THR 182 Cb 0.03 -4.51 -0.04 0.00 1.34 0.00 0.00 72.50 69.33 2k60 s THR 182 CO 0.82 -0.81 1.63 -0.78 -0.54 0.00 0.00 174.62 174.94 2k60 h ASP 183 N 8.96 -0.78 -0.08 3.99 3.58 -1.99 0.94 116.42 131.04 2k60 h ASP 183 Ca -0.23 0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.33 2k60 h ASP 183 Cb 1.06 0.33 -0.00 0.00 1.72 0.00 0.00 39.33 42.44 2k60 h ASP 183 CO 1.09 -0.32 0.03 -0.09 -2.88 0.00 0.00 179.24 177.07 2k60 h ARG 184 N -0.37 0.12 -0.72 0.28 2.43 -1.98 0.13 114.38 114.27 2k60 h ARG 184 Ca 0.08 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2k60 h ARG 184 Cb 0.48 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 2k60 h ARG 184 CO -0.26 0.26 0.43 1.03 -1.51 0.00 0.00 179.97 179.92 2k60 h SER 185 N -0.04 0.87 0.66 -3.80 0.87 -1.94 0.27 113.55 110.43 2k60 h SER 185 Ca 0.03 -0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.49 2k60 h SER 185 Cb 0.18 -0.22 0.01 0.00 -0.44 0.00 0.00 62.40 61.93 2k60 h SER 185 CO -0.00 0.68 -0.32 -0.74 -0.53 0.00 0.00 176.83 175.92 2k60 h HIS 186 N 0.98 -0.82 -0.85 2.24 -0.00 -0.47 0.01 115.15 116.25 2k60 h HIS 186 Ca 0.26 -0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.62 2k60 h HIS 186 Cb -0.03 0.27 -0.04 0.00 -0.00 0.00 0.00 27.41 27.61 2k60 h HIS 186 CO -0.01 -0.47 0.56 0.07 -0.00 0.00 0.00 177.93 178.07 2k60 h ARG 187 N -1.05 1.09 -0.20 5.26 0.11 -0.57 -1.23 114.38 117.79 2k60 h ARG 187 Ca -0.09 -0.07 -0.06 0.00 0.10 0.00 0.00 59.98 59.87 2k60 h ARG 187 Cb 0.72 -0.25 -0.01 0.00 1.11 0.00 0.00 29.97 31.55 2k60 h ARG 187 CO 0.15 0.72 -0.09 1.96 0.10 0.00 0.00 179.97 182.81 2k60 h GLN 188 N 1.12 0.42 -0.12 0.08 1.08 -0.36 0.86 115.11 118.19 2k60 h GLN 188 Ca 0.32 -0.18 -0.00 0.00 -1.45 0.00 0.00 58.65 57.34 2k60 h GLN 188 Cb -0.09 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 2k60 h GLN 188 CO -0.08 0.70 0.07 0.87 -0.95 0.00 0.00 178.83 179.45 2k60 h LYS 189 N 0.12 0.16 0.38 1.46 1.79 -0.61 -0.35 116.57 119.51 2k60 h LYS 189 Ca 0.05 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.48 2k60 h LYS 189 Cb 0.57 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 2k60 h LYS 189 CO 0.03 0.15 -0.18 -0.07 -1.08 0.00 0.00 179.45 178.30 2k60 h LEU 190 N 0.13 -0.43 -0.91 2.94 -0.00 -1.21 -1.81 115.31 114.01 2k60 h LEU 190 Ca 0.04 -0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.87 2k60 h LEU 190 Cb 0.03 0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 40.78 2k60 h LEU 190 CO -0.01 -0.29 0.22 0.06 -0.00 0.00 0.00 178.44 178.43 2k60 h GLN 191 N -0.54 1.02 0.14 1.13 3.07 -0.77 0.76 115.11 119.91 2k60 h GLN 191 Ca -0.05 -0.20 0.01 0.00 0.09 0.00 0.00 58.65 58.50 2k60 h GLN 191 Cb 0.41 -0.16 -0.02 0.00 0.08 0.00 0.00 27.48 27.79 2k60 h GLN 191 CO 0.09 0.86 -0.21 -0.07 0.09 0.00 0.00 178.83 179.59 2k60 h LEU 192 N 0.99 -0.58 0.17 0.06 -0.00 -0.93 0.47 115.31 115.48 2k60 h LEU 192 Ca 0.22 0.06 -0.24 0.00 -0.00 0.00 0.00 57.88 57.92 2k60 h LEU 192 Cb 0.26 0.22 0.02 0.00 -0.00 0.00 0.00 40.66 41.16 2k60 h LEU 192 CO -0.01 -0.30 -1.12 0.11 -0.00 0.00 0.00 178.44 177.12 2k60 h LYS 193 N -0.41 0.35 -0.38 1.13 6.56 -0.87 -1.89 116.57 121.07 2k60 h LYS 193 Ca 0.02 -0.60 -0.09 0.00 -1.06 0.00 0.00 60.65 58.92 2k60 h LYS 193 Cb 0.42 0.22 -0.01 0.00 -0.57 0.00 0.00 32.23 32.29 2k60 h LYS 193 CO -0.10 1.29 -0.11 0.00 -2.06 0.00 0.00 179.45 178.47 2k60 h ALA 194 N 0.07 0.52 -0.33 3.86 0.00 0.48 0.75 119.26 124.62 2k60 h ALA 194 Ca -0.21 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 2k60 h ALA 194 Cb 1.81 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 2k60 h ALA 194 CO 0.17 0.39 -0.22 1.25 0.00 0.00 0.00 179.25 180.83 2k60 h LEU 195 N 0.54 0.77 -1.47 0.00 5.85 -1.01 0.26 115.31 120.24 2k60 h LEU 195 Ca 0.09 -0.43 0.08 0.00 0.84 0.00 0.00 57.88 58.46 2k60 h LEU 195 Cb 0.63 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 2k60 h LEU 195 CO 0.04 1.04 0.45 -0.78 -0.34 0.00 0.00 178.44 178.85 2k60 h ASP 196 N 0.50 0.55 0.03 1.25 3.58 -1.18 -0.85 116.42 120.30 2k60 h ASP 196 Ca 0.07 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.52 2k60 h ASP 196 Cb 0.78 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.72 2k60 h ASP 196 CO 0.06 0.34 -0.01 0.74 -2.88 0.00 0.00 179.24 177.49 2k60 h THR 197 N 0.62 1.39 0.00 2.25 2.02 -0.19 0.47 112.91 119.47 2k60 h THR 197 Ca 0.30 -1.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.04 2k60 h THR 197 Cb 0.38 2.33 -0.00 0.00 -1.74 0.00 0.00 68.15 69.12 2k60 h THR 197 CO -0.10 0.36 -0.08 -0.37 0.37 0.00 0.00 175.52 175.70 2k60 h VAL 198 N -0.68 0.52 0.00 3.16 -1.51 -0.20 -2.23 116.25 115.31 2k60 h VAL 198 Ca -0.00 -0.39 -0.14 0.00 -1.23 0.00 0.00 66.70 64.94 2k60 h VAL 198 Cb 0.62 1.25 -0.02 0.00 -2.13 0.00 0.00 31.29 31.01 2k60 h VAL 198 CO 0.01 0.08 -0.99 0.18 -1.23 0.00 0.00 177.57 175.62 2k60 n LEU 199 N -3.65 1.84 -0.01 4.19 4.77 -0.35 -4.59 117.00 119.20 2k60 n LEU 199 Ca -0.02 0.51 -0.02 0.00 -0.03 0.00 0.00 56.01 56.44 2k60 n LEU 199 Cb 0.20 -0.93 -0.01 0.00 -2.33 0.00 0.00 43.42 40.35 2k60 n LEU 199 CO 0.29 -0.02 -0.17 0.33 -1.33 0.00 0.00 177.39 176.48 2k60 n PHE 200 N -4.50 0.00 -0.83 -1.77 7.35 0.15 -4.90 117.46 112.96 2k60 n PHE 200 Ca -0.23 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.46 2k60 n PHE 200 Cb 0.52 -0.13 0.00 0.00 0.35 0.00 0.00 39.48 40.22 2k60 n PHE 200 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41