#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k60 n SER -4 N 0.00 -2.00 -0.03 1.61 7.64 -0.88 -5.03 113.62 114.93 2k60 n SER -4 Ca 0.00 -2.60 -0.15 0.00 1.01 0.00 0.00 58.87 57.13 2k60 n SER -4 Cb 0.00 3.40 -0.12 0.00 -1.01 0.00 0.00 64.21 66.47 2k60 n SER -4 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 2k60 h HIS -3 N 1.96 0.20 -3.31 1.43 3.86 -2.00 -3.42 115.15 113.87 2k60 h HIS -3 Ca -0.31 -0.12 -0.64 0.00 -1.16 0.00 0.00 60.37 58.14 2k60 h HIS -3 Cb 1.18 -0.02 -0.21 0.00 1.06 0.00 0.00 27.41 29.42 2k60 h HIS -3 CO 0.00 0.99 -0.66 0.00 0.86 0.00 0.00 177.93 179.13 2k60 s MET -2 N -2.76 3.69 0.20 2.45 0.00 -1.26 -4.94 119.30 116.68 2k60 s MET -2 Ca -0.17 -0.51 0.00 0.00 0.00 0.00 0.00 55.69 55.02 2k60 s MET -2 Cb -0.00 -2.94 0.00 0.00 0.00 0.00 0.00 34.83 31.88 2k60 s MET -2 CO 0.73 0.23 0.00 0.00 0.00 0.00 0.00 175.02 175.99 2k60 n ALA -1 N 3.56 -2.35 -2.32 3.16 0.00 -1.26 -4.97 120.51 116.32 2k60 n ALA -1 Ca -0.17 0.32 -0.01 0.00 0.00 0.00 0.00 53.44 53.58 2k60 n ALA -1 Cb 0.52 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.83 2k60 n ALA -1 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2k60 n SER 0 N 0.73 -5.98 0.12 0.00 7.64 -1.26 -4.19 113.62 110.68 2k60 n SER 0 Ca 0.00 0.81 0.12 0.00 1.01 0.00 0.00 58.87 60.81 2k60 n SER 0 Cb 0.00 -3.88 0.18 0.00 -1.01 0.00 0.00 64.21 59.50 2k60 n SER 0 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2k60 h SER 58 N 1.85 0.00 -4.02 6.43 0.87 -1.93 -2.34 113.55 114.42 2k60 h SER 58 Ca 0.00 -0.07 -0.69 0.00 -1.23 0.00 0.00 61.79 59.80 2k60 h SER 58 Cb 0.16 0.00 -0.23 0.00 -0.44 0.00 0.00 62.40 61.89 2k60 h SER 58 CO 0.08 0.03 -0.87 -1.61 -0.53 0.00 0.00 176.83 173.93 2k60 s GLU 59 N -3.21 1.51 -0.06 2.24 0.41 -1.26 -4.59 118.70 113.74 2k60 s GLU 59 Ca 0.06 -1.28 -0.09 0.00 -0.41 0.00 0.00 54.97 53.24 2k60 s GLU 59 Cb 0.10 -1.92 0.02 0.00 -1.78 0.00 0.00 34.13 30.55 2k60 s GLU 59 CO 0.70 0.47 0.24 0.16 -0.49 0.00 0.00 175.26 176.33 2k60 s ASP 60 N -1.83 -0.19 -1.02 -0.19 -4.77 -1.26 -4.74 116.67 102.65 2k60 s ASP 60 Ca 0.13 0.30 0.00 0.00 -3.30 0.00 0.00 52.55 49.69 2k60 s ASP 60 Cb -0.10 0.42 0.00 0.00 -1.09 0.00 0.00 42.92 42.15 2k60 s ASP 60 CO 0.05 -0.20 0.00 1.21 0.70 0.00 0.00 175.17 176.93 2k60 n GLU 61 N 2.40 -0.78 -0.08 2.11 2.13 -1.26 -4.85 120.64 120.31 2k60 n GLU 61 Ca -0.16 0.71 -0.21 0.00 0.66 0.00 0.00 57.16 58.17 2k60 n GLU 61 Cb 0.57 -4.72 -0.12 0.00 0.27 0.00 0.00 31.44 27.44 2k60 n GLU 61 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2k60 n LYS 62 N -2.40 0.68 -4.22 5.31 3.00 -1.26 -5.00 118.16 114.27 2k60 n LYS 62 Ca -0.11 0.23 -0.14 0.00 -0.00 0.00 0.00 58.31 58.29 2k60 n LYS 62 Cb 0.46 -1.60 -0.10 0.00 0.00 0.00 0.00 35.03 33.79 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 -6.90 1.30 -0.05 3.14 2.96 -1.26 -5.07 118.68 112.81 2k60 s LEU 63 Ca -0.30 -1.48 0.14 0.00 -0.22 0.00 0.00 54.13 52.27 2k60 s LEU 63 Cb 0.08 0.42 -0.22 0.00 0.50 0.00 0.00 46.19 46.98 2k60 s LEU 63 CO 0.65 -0.89 0.61 -1.54 -1.32 0.00 0.00 176.35 173.86 2k60 n SER 64 N -0.59 0.75 -0.16 3.68 3.41 -1.26 -4.16 113.62 115.28 2k60 n SER 64 Ca 0.03 0.35 -0.08 0.00 -0.26 0.00 0.00 58.87 58.91 2k60 n SER 64 Cb 0.65 0.14 0.01 0.00 -0.26 0.00 0.00 64.21 64.75 2k60 n SER 64 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2k60 h PHE 65 N 0.00 0.67 -0.89 7.33 3.57 -1.99 -0.35 116.94 125.29 2k60 h PHE 65 Ca -0.30 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.21 2k60 h PHE 65 Cb 1.96 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 40.44 2k60 h PHE 65 CO 0.00 0.54 0.57 1.05 -2.23 0.00 0.00 178.31 178.24 2k60 h GLU 66 N 0.61 1.08 0.01 1.11 4.11 -1.92 0.37 114.58 119.94 2k60 h GLU 66 Ca 0.16 -0.06 -0.00 0.00 0.07 0.00 0.00 59.36 59.52 2k60 h GLU 66 Cb 0.12 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.13 2k60 h GLU 66 CO -0.02 0.71 -0.00 0.00 0.07 0.00 0.00 179.01 179.77 2k60 h ALA 67 N 1.37 -0.01 -0.59 1.06 0.00 -1.59 -0.13 119.26 119.38 2k60 h ALA 67 Ca 0.36 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2k60 h ALA 67 Cb 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2k60 h ALA 67 CO -0.12 -0.33 0.27 -0.24 0.00 0.00 0.00 179.25 178.82 2k60 h VAL 68 N -0.35 1.22 0.00 0.00 3.04 -0.82 -0.68 116.25 118.65 2k60 h VAL 68 Ca -0.00 -0.64 -0.06 0.00 -1.01 0.00 0.00 66.70 64.99 2k60 h VAL 68 Cb 0.35 0.53 -0.01 0.00 -2.01 0.00 0.00 31.29 30.15 2k60 h VAL 68 CO 0.00 0.25 -0.30 0.08 -1.01 0.00 0.00 177.57 176.60 2k60 h ARG 69 N 0.82 0.00 -0.03 4.17 0.11 -0.90 -1.31 114.38 117.24 2k60 h ARG 69 Ca 0.20 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.28 2k60 h ARG 69 Cb 0.15 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.23 2k60 h ARG 69 CO -0.02 0.30 0.01 -0.97 0.10 0.00 0.00 179.97 179.38 2k60 h ASN 70 N 0.00 0.04 0.45 0.08 -1.24 0.46 0.56 115.58 115.93 2k60 h ASN 70 Ca -0.00 -0.21 -0.09 0.00 0.71 0.00 0.00 56.30 56.71 2k60 h ASN 70 Cb 0.57 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.60 2k60 h ASN 70 CO 0.04 0.24 -0.41 0.40 -1.29 0.00 0.00 177.43 176.41 2k60 h ILE 71 N -0.16 1.25 -0.25 2.57 5.03 -0.95 -0.29 117.51 124.71 2k60 h ILE 71 Ca 0.01 -1.43 -0.17 0.00 -0.12 0.00 0.00 64.86 63.15 2k60 h ILE 71 Cb 0.22 1.78 -0.00 0.00 -3.03 0.00 0.00 36.82 35.78 2k60 h ILE 71 CO -0.00 0.40 -0.53 0.45 -0.68 0.00 0.00 178.15 177.79 2k60 h HIS 72 N 0.00 0.93 0.00 1.37 3.86 -0.98 -3.05 115.15 117.29 2k60 h HIS 72 Ca -0.00 -0.33 -0.04 0.00 -1.16 0.00 0.00 60.37 58.84 2k60 h HIS 72 Cb 0.75 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 2k60 h HIS 72 CO 0.00 1.12 -0.18 1.57 0.86 0.00 0.00 177.93 181.29 2k60 h LYS 73 N 0.58 0.00 -1.01 2.45 5.09 0.63 -2.96 116.57 121.35 2k60 h LYS 73 Ca 0.02 0.00 0.26 0.00 0.09 0.00 0.00 60.65 61.02 2k60 h LYS 73 Cb 1.11 0.00 -0.07 0.00 0.10 0.00 0.00 32.23 33.37 2k60 h LYS 73 CO 0.11 0.18 0.68 1.25 -2.09 0.00 0.00 179.45 179.59 2k60 h LEU 74 N 0.00 0.31 -0.01 7.07 5.85 -0.95 0.58 115.31 128.16 2k60 h LEU 74 Ca -0.00 0.05 -0.26 0.00 0.84 0.00 0.00 57.88 58.51 2k60 h LEU 74 Cb 0.58 -0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.62 2k60 h LEU 74 CO 0.02 0.08 -1.11 0.24 -0.34 0.00 0.00 178.44 177.34 2k60 h MET 75 N 0.28 0.46 -7.04 1.25 2.86 -1.68 -3.46 114.93 107.60 2k60 h MET 75 Ca 0.54 -0.59 -0.49 0.00 -2.06 0.00 0.00 59.70 57.10 2k60 h MET 75 Cb 1.58 0.19 0.05 0.00 0.06 0.00 0.00 31.60 33.48 2k60 h MET 75 CO -0.19 1.23 0.43 0.34 1.06 0.00 0.00 176.91 179.78 2k60 s ASP 76 N -7.22 6.16 -0.10 1.22 2.15 0.20 -3.26 116.67 115.81 2k60 s ASP 76 Ca -0.07 2.11 -0.20 0.00 0.43 0.00 0.00 52.55 54.83 2k60 s ASP 76 Cb 0.07 -2.58 -0.17 0.00 -0.30 0.00 0.00 42.92 39.94 2k60 s ASP 76 CO 0.89 -0.92 0.65 -0.78 -0.17 0.00 0.00 175.17 174.85 2k60 h ASP 77 N 1.69 -0.05 0.18 -0.34 3.58 -1.81 -3.35 116.42 116.33 2k60 h ASP 77 Ca -0.49 -0.58 0.00 0.00 0.42 0.00 0.00 57.03 56.38 2k60 h ASP 77 Cb 1.24 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.30 2k60 h ASP 77 CO 0.59 0.69 -0.78 -0.90 -2.88 0.00 0.00 179.24 175.96 2k60 n ASP 78 N -4.74 0.87 -3.09 2.28 5.75 -1.26 -5.01 116.55 111.34 2k60 n ASP 78 Ca -0.07 -0.76 -0.16 0.00 -0.01 0.00 0.00 54.79 53.80 2k60 n ASP 78 Cb 0.30 0.69 0.02 0.00 -1.03 0.00 0.00 41.12 41.10 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 -1.41 -2.76 -0.28 2.12 0.00 -1.26 -4.88 120.51 112.04 2k60 n ALA 79 Ca 0.05 0.74 0.06 0.00 0.00 0.00 0.00 53.44 54.29 2k60 n ALA 79 Cb 0.34 -2.95 0.16 0.00 0.00 0.00 0.00 19.45 16.99 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 -0.60 3.00 0.00 0.00 6.94 -1.26 -4.80 115.26 118.54 2k60 n ASN 80 Ca 0.03 -2.14 0.00 0.00 -0.02 0.00 0.00 54.58 52.44 2k60 n ASN 80 Cb 0.53 -0.26 0.00 0.00 -2.36 0.00 0.00 39.78 37.69 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 0.31 1.38 2.99 4.83 0.00 -1.26 -5.01 105.19 108.43 2k60 n GLY 81 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.83 -0.09 -0.15 1.61 1.47 -1.26 -1.98 116.67 114.45 2k60 s ASP 82 Ca 0.00 0.16 -0.03 0.00 1.18 0.00 0.00 52.55 53.86 2k60 s ASP 82 Cb 0.00 0.21 -0.03 0.00 -0.34 0.00 0.00 42.92 42.77 2k60 s ASP 82 CO 0.00 -0.07 -0.04 0.68 0.68 0.00 0.00 175.17 176.42 2k60 s VAL 83 N -0.09 3.86 0.37 2.11 -7.23 0.58 -4.86 120.40 115.13 2k60 s VAL 83 Ca -0.02 -0.37 0.03 0.00 -1.81 0.00 0.00 61.98 59.82 2k60 s VAL 83 Cb -0.02 -2.68 -0.01 0.00 0.56 0.00 0.00 36.38 34.23 2k60 s VAL 83 CO 0.00 0.50 0.54 -0.62 -0.31 0.00 0.00 175.10 175.22 2k60 s ASP 84 N 0.25 6.00 0.43 4.85 2.15 -1.26 -0.93 116.67 128.17 2k60 s ASP 84 Ca -0.03 0.10 0.14 0.00 0.43 0.00 0.00 52.55 53.18 2k60 s ASP 84 Cb -0.14 -1.52 1.02 0.00 -0.30 0.00 0.00 42.92 41.98 2k60 s ASP 84 CO 0.03 -0.47 1.96 -0.37 -0.17 0.00 0.00 175.17 176.15 2k60 h VAL 85 N 0.73 0.87 0.00 1.11 -1.51 -1.90 0.38 116.25 115.94 2k60 h VAL 85 Ca -0.47 -0.15 -0.13 0.00 -1.23 0.00 0.00 66.70 64.72 2k60 h VAL 85 Cb 1.25 0.40 -0.02 0.00 -2.13 0.00 0.00 31.29 30.79 2k60 h VAL 85 CO 0.56 0.08 -0.62 -0.33 -1.23 0.00 0.00 177.57 176.04 2k60 h GLU 86 N 0.43 0.00 0.00 5.19 5.08 -1.95 -2.48 114.58 120.86 2k60 h GLU 86 Ca 0.31 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.61 2k60 h GLU 86 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2k60 h GLU 86 CO -0.09 0.62 -0.21 0.93 -1.00 0.00 0.00 179.01 179.26 2k60 h GLU 87 N 0.00 0.13 -0.03 2.33 5.08 -1.34 -3.25 114.58 117.50 2k60 h GLU 87 Ca -0.01 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2k60 h GLU 87 Cb 1.47 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.76 2k60 h GLU 87 CO 0.08 0.91 0.00 -1.13 -1.00 0.00 0.00 179.01 177.87 2k60 n SER 88 N -4.54 0.42 -0.37 1.42 3.41 -0.31 -3.49 113.62 110.16 2k60 n SER 88 Ca -0.10 -1.35 -0.08 0.00 -0.26 0.00 0.00 58.87 57.09 2k60 n SER 88 Cb 0.49 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.58 -0.85 -0.05 4.04 -0.08 -0.93 -0.38 116.55 117.72 2k60 n ASP 89 Ca 0.18 1.58 -0.17 0.00 -1.51 0.00 0.00 54.79 54.86 2k60 n ASP 89 Cb 0.15 -0.24 -0.13 0.00 2.34 0.00 0.00 41.12 43.24 2k60 n ASP 89 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2k60 h GLU 90 N 0.00 0.08 -0.05 -0.67 4.81 -1.88 -3.39 114.58 113.47 2k60 h GLU 90 Ca 0.19 -0.13 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 2k60 h GLU 90 Cb 0.41 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 2k60 h GLU 90 CO -0.85 1.06 -0.16 0.74 -0.73 0.00 0.00 179.01 179.08 2k60 h PHE 91 N -0.81 -0.41 -0.40 0.92 -1.00 -1.55 -1.85 116.94 111.84 2k60 h PHE 91 Ca -0.13 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.66 2k60 h PHE 91 Cb 1.26 0.19 -0.02 0.00 3.61 0.00 0.00 35.95 40.99 2k60 h PHE 91 CO 0.21 -0.23 0.23 1.25 -1.61 0.00 0.00 178.31 178.16 2k60 h LEU 92 N -0.24 0.49 0.13 1.54 5.85 -0.96 0.14 115.31 122.26 2k60 h LEU 92 Ca 0.07 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.72 2k60 h LEU 92 Cb 0.33 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2k60 h LEU 92 CO -0.19 0.42 -0.37 0.03 -0.34 0.00 0.00 178.44 177.99 2k60 h ARG 93 N 0.52 -0.54 0.01 1.25 3.08 -1.64 -1.95 114.38 115.11 2k60 h ARG 93 Ca 0.14 0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 2k60 h ARG 93 Cb 0.03 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2k60 h ARG 93 CO -0.02 -0.36 -0.01 0.93 -1.07 0.00 0.00 179.97 179.44 2k60 h GLU 94 N -0.56 -0.02 -0.91 0.04 5.08 -1.32 0.62 114.58 117.52 2k60 h GLU 94 Ca -0.01 0.00 0.25 0.00 -1.00 0.00 0.00 59.36 58.60 2k60 h GLU 94 Cb 0.55 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 2k60 h GLU 94 CO -0.17 0.40 0.64 -0.44 -1.00 0.00 0.00 179.01 178.44 2k60 h ASP 95 N -1.00 0.08 0.00 1.42 5.19 -0.76 -1.67 116.42 119.69 2k60 h ASP 95 Ca -0.00 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 2k60 h ASP 95 Cb 0.43 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.93 2k60 h ASP 95 CO 0.00 0.03 0.00 0.00 -3.12 0.00 0.00 179.24 176.15 2k60 n LEU 96 N -4.32 0.00 -0.26 1.55 -0.00 -0.81 -3.86 117.00 109.30 2k60 n LEU 96 Ca 0.19 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 56.26 2k60 n LEU 96 Cb 0.92 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 44.33 2k60 n LEU 96 CO 0.37 0.00 0.21 0.59 -0.00 0.00 0.00 177.39 178.56 2k60 n ASN 97 N 0.00 1.31 0.00 1.45 5.03 0.07 -4.58 115.26 118.54 2k60 n ASN 97 Ca 0.00 -1.16 0.00 0.00 0.87 0.00 0.00 54.58 54.29 2k60 n ASN 97 Cb 0.18 0.52 0.00 0.00 -1.02 0.00 0.00 39.78 39.46 2k60 n ASN 97 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k60 n TYR 98 N -0.30 0.00 0.00 3.10 4.11 0.19 -4.04 117.16 120.22 2k60 n TYR 98 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.95 2k60 n TYR 98 Cb 0.26 -0.19 0.00 0.00 -0.00 0.00 0.00 39.34 39.41 2k60 n TYR 98 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.86 178.44 2k60 n HIS 99 N -0.38 0.00 -4.13 -3.48 -0.00 -1.24 -4.80 115.22 101.20 2k60 n HIS 99 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.57 2k60 n HIS 99 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 29.86 2k60 n HIS 99 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.34 176.50 2k60 s ASP 100 N 1.00 0.84 0.00 0.26 -4.77 -1.26 -4.58 116.67 108.16 2k60 s ASP 100 Ca 0.00 -0.36 0.10 0.00 -3.30 0.00 0.00 52.55 48.98 2k60 s ASP 100 Cb 0.00 -0.02 0.29 0.00 -1.09 0.00 0.00 42.92 42.10 2k60 s ASP 100 CO 0.00 -0.08 1.24 -0.81 0.70 0.00 0.00 175.17 176.22 2k60 n PRO 101 N 2.09 1.65 -0.10 2.11 -0.04 -1.26 -4.15 135.00 135.30 2k60 n PRO 101 Ca -0.18 -1.01 0.03 0.00 -0.04 0.00 0.00 63.50 62.30 2k60 n PRO 101 Cb 0.56 -1.23 0.36 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 1.66 1.12 0.43 0.52 2.02 -1.98 0.27 112.91 116.95 2k60 h THR 102 Ca 0.00 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 2k60 h THR 102 Cb 0.38 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 2k60 h THR 102 CO 0.00 0.13 -0.29 0.58 0.37 0.00 0.00 175.52 176.31 2k60 h VAL 103 N 0.73 0.39 -0.21 3.16 2.07 -1.99 0.56 116.25 120.96 2k60 h VAL 103 Ca 0.22 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.65 2k60 h VAL 103 Cb -0.02 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 2k60 h VAL 103 CO -0.05 0.00 -0.20 0.11 0.02 0.00 0.00 177.57 177.44 2k60 h LYS 104 N -0.70 0.51 0.23 1.57 1.79 -1.70 -0.46 116.57 117.81 2k60 h LYS 104 Ca -0.04 -0.27 -0.01 0.00 -2.18 0.00 0.00 60.65 58.15 2k60 h LYS 104 Cb 0.59 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.24 2k60 h LYS 104 CO 0.03 0.85 -0.14 0.45 -1.08 0.00 0.00 179.45 179.55 2k60 h HIS 105 N 0.19 -0.37 -0.22 -1.35 3.86 -0.46 0.34 115.15 117.14 2k60 h HIS 105 Ca 0.03 -0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.09 2k60 h HIS 105 Cb 0.75 0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.35 2k60 h HIS 105 CO 0.08 -0.22 -0.49 0.77 0.86 0.00 0.00 177.93 178.92 2k60 h SER 106 N -0.36 0.65 -0.28 2.45 0.02 -0.95 -0.74 113.55 114.34 2k60 h SER 106 Ca -0.02 -0.33 -0.04 0.00 -0.84 0.00 0.00 61.79 60.56 2k60 h SER 106 Cb 0.30 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 2k60 h SER 106 CO 0.02 1.04 0.00 0.74 -1.14 0.00 0.00 176.83 177.49 2k60 h THR 107 N 0.47 1.26 0.27 -2.27 2.02 -0.98 0.45 112.91 114.13 2k60 h THR 107 Ca 0.02 -0.92 -0.01 0.00 0.77 0.00 0.00 66.41 66.27 2k60 h THR 107 Cb 1.03 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 2k60 h THR 107 CO 0.10 0.29 -0.13 0.15 0.37 0.00 0.00 175.52 176.30 2k60 h PHE 108 N 0.28 -0.34 0.03 3.16 3.57 -0.88 -3.37 116.94 119.39 2k60 h PHE 108 Ca 0.08 -0.01 -0.24 0.00 3.53 0.00 0.00 57.97 61.33 2k60 h PHE 108 Cb 0.42 0.11 0.01 0.00 2.79 0.00 0.00 35.95 39.28 2k60 h PHE 108 CO 0.03 -0.21 -1.02 1.25 -2.23 0.00 0.00 178.31 176.13 2k60 h HIS 109 N -1.09 0.64 0.00 0.41 2.76 -1.27 -3.47 115.15 113.13 2k60 h HIS 109 Ca -0.04 -0.37 0.00 0.00 -2.20 0.00 0.00 60.37 57.76 2k60 h HIS 109 Cb 0.28 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.18 2k60 h HIS 109 CO 0.00 1.21 0.00 0.41 -1.30 0.00 0.00 177.93 178.25 2k60 n GLY 110 N 1.09 1.71 0.00 5.26 0.00 0.15 -4.46 105.19 108.95 2k60 n GLY 110 Ca -0.08 -0.19 0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 0.25 -2.70 1.61 2.13 -1.26 -4.80 120.64 115.87 2k60 n GLU 111 Ca 0.00 0.05 -0.10 0.00 0.66 0.00 0.00 57.16 57.77 2k60 n GLU 111 Cb 0.00 -1.50 0.05 0.00 0.27 0.00 0.00 31.44 30.26 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 -1.35 -3.83 0.00 4.31 2.03 -1.24 -4.98 116.55 111.49 2k60 n ASP 112 Ca 0.10 -0.42 0.00 0.00 0.52 0.00 0.00 54.79 54.99 2k60 n ASP 112 Cb 0.24 -3.42 0.00 0.00 -0.72 0.00 0.00 41.12 37.22 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 -2.72 0.00 -2.94 -0.67 5.02 -1.25 -4.79 118.16 110.81 2k60 n LYS 113 Ca -0.09 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.80 2k60 n LYS 113 Cb 0.59 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.54 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 4.50 -0.22 -0.35 1.43 -1.25 -4.12 118.68 118.67 2k60 s LEU 114 Ca 0.00 1.56 -0.03 0.00 -1.03 0.00 0.00 54.13 54.63 2k60 s LEU 114 Cb 0.00 -3.30 0.00 0.00 0.03 0.00 0.00 46.19 42.92 2k60 s LEU 114 CO 0.00 0.06 -0.06 -0.63 0.23 0.00 0.00 176.35 175.94 2k60 s ILE 115 N -0.36 3.12 0.02 -0.59 -1.09 -0.10 -4.49 121.20 117.71 2k60 s ILE 115 Ca 0.39 -0.65 0.04 0.00 -2.23 0.00 0.00 60.65 58.20 2k60 s ILE 115 Cb -0.22 -2.44 -0.02 0.00 -1.58 0.00 0.00 42.46 38.21 2k60 s ILE 115 CO 0.25 0.39 -0.13 -0.55 -1.23 0.00 0.00 174.94 173.67 2k60 s SER 116 N 1.43 1.55 0.16 3.58 0.15 -1.26 -0.31 113.70 118.99 2k60 s SER 116 Ca 0.05 -0.37 -0.17 0.00 0.70 0.00 0.00 55.95 56.16 2k60 s SER 116 Cb -0.14 -0.12 0.07 0.00 -1.71 0.00 0.00 66.02 64.11 2k60 s SER 116 CO -0.05 0.07 1.71 0.58 1.20 0.00 0.00 173.24 176.75 2k60 h VAL 117 N 4.63 0.77 -0.39 4.45 2.07 -1.78 -0.11 116.25 125.89 2k60 h VAL 117 Ca -0.36 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.15 2k60 h VAL 117 Cb 1.18 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 2k60 h VAL 117 CO 0.46 0.02 0.19 1.05 0.02 0.00 0.00 177.57 179.30 2k60 h GLU 118 N 0.12 0.37 -0.39 1.57 4.11 -1.97 0.45 114.58 118.85 2k60 h GLU 118 Ca 0.17 -0.02 -0.03 0.00 0.07 0.00 0.00 59.36 59.54 2k60 h GLU 118 Cb 0.22 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2k60 h GLU 118 CO -0.26 0.24 0.11 -0.44 0.07 0.00 0.00 179.01 178.73 2k60 h ASP 119 N 0.38 0.57 -0.73 3.06 3.32 -1.89 -1.88 116.42 119.25 2k60 h ASP 119 Ca 0.17 -0.22 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 2k60 h ASP 119 Cb 0.09 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 2k60 h ASP 119 CO -0.13 0.64 0.30 -0.07 -1.72 0.00 0.00 179.24 178.26 2k60 h LEU 120 N 0.48 1.01 0.03 1.55 3.38 -0.50 0.11 115.31 121.37 2k60 h LEU 120 Ca 0.12 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.97 2k60 h LEU 120 Cb 0.28 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 2k60 h LEU 120 CO -0.00 0.90 -0.22 -0.25 0.09 0.00 0.00 178.44 178.95 2k60 h TRP 121 N 1.07 -0.59 0.00 1.13 2.91 0.38 0.55 115.95 121.41 2k60 h TRP 121 Ca 0.25 0.02 -0.08 0.00 1.13 0.00 0.00 58.89 60.20 2k60 h TRP 121 Cb 0.20 0.26 -0.01 0.00 -0.51 0.00 0.00 29.16 29.10 2k60 h TRP 121 CO 0.02 -0.31 -0.40 0.87 -1.03 0.00 0.00 178.44 177.59 2k60 h LYS 122 N -0.37 0.00 0.02 2.65 6.56 -1.07 -1.50 116.57 122.86 2k60 h LYS 122 Ca 0.05 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.64 2k60 h LYS 122 Cb 0.43 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.09 2k60 h LYS 122 CO -0.18 0.40 -0.01 0.00 -2.06 0.00 0.00 179.45 177.60 2k60 h ALA 123 N 1.60 -0.03 -0.64 3.86 0.00 -0.25 -2.44 119.26 121.35 2k60 h ALA 123 Ca -0.00 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.76 2k60 h ALA 123 Cb 1.00 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 2k60 h ALA 123 CO 0.05 -0.29 0.31 2.35 0.00 0.00 0.00 179.25 181.67 2k60 h TRP 124 N -0.50 0.55 0.00 0.00 7.01 0.17 0.53 115.95 123.71 2k60 h TRP 124 Ca -0.00 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.02 2k60 h TRP 124 Cb 0.47 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.38 2k60 h TRP 124 CO 0.08 0.21 0.00 1.63 -2.79 0.00 0.00 178.44 177.57 2k60 n LYS 125 N -4.89 0.18 -0.00 2.65 5.02 -0.57 -1.89 118.16 118.66 2k60 n LYS 125 Ca 0.09 0.45 0.08 0.00 -2.02 0.00 0.00 58.31 56.91 2k60 n LYS 125 Cb 0.24 -1.88 -0.11 0.00 -0.02 0.00 0.00 35.03 33.26 2k60 n LYS 125 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2k60 n SER 126 N -2.23 1.02 -4.91 4.39 2.88 -0.03 -4.93 113.62 109.82 2k60 n SER 126 Ca 0.02 -0.42 -0.27 0.00 -1.33 0.00 0.00 58.87 56.86 2k60 n SER 126 Cb 0.20 1.38 0.01 0.00 -0.75 0.00 0.00 64.21 65.06 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 -3.20 6.04 0.58 -3.46 0.01 0.17 -4.95 113.70 108.88 2k60 s SER 127 Ca -0.00 0.87 0.34 0.00 1.31 0.00 0.00 55.95 58.47 2k60 s SER 127 Cb 0.11 -2.07 1.77 0.00 0.21 0.00 0.00 66.02 66.04 2k60 s SER 127 CO 0.66 -0.75 2.17 -0.33 0.41 0.00 0.00 173.24 175.40 2k60 h GLU 128 N 0.07 0.00 -0.00 12.44 5.08 -1.89 -3.15 114.58 127.13 2k60 h GLU 128 Ca -0.46 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 57.91 2k60 h GLU 128 Cb 1.22 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.43 2k60 h GLU 128 CO 0.61 0.05 -0.43 0.28 -1.00 0.00 0.00 179.01 178.52 2k60 h VAL 129 N 0.00 0.00 0.00 3.13 2.07 -1.90 0.52 116.25 120.07 2k60 h VAL 129 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2k60 h VAL 129 Cb 0.23 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 2k60 h VAL 129 CO 0.01 0.00 0.00 0.22 0.02 0.00 0.00 177.57 177.82 2k60 h TYR 130 N -0.54 0.00 0.00 1.57 3.20 -1.54 -1.29 116.97 118.37 2k60 h TYR 130 Ca 0.01 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 2k60 h TYR 130 Cb 0.58 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 2k60 h TYR 130 CO -0.49 0.00 -0.45 -0.97 -1.64 0.00 0.00 178.16 174.61 2k60 h ASN 131 N 0.00 0.00 -2.80 -2.11 -0.73 -1.37 -3.41 115.58 105.16 2k60 h ASN 131 Ca 0.00 0.00 -0.54 0.00 1.87 0.00 0.00 56.30 57.63 2k60 h ASN 131 Cb 0.36 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.96 2k60 h ASN 131 CO 0.00 0.19 0.92 0.26 -0.37 0.00 0.00 177.43 178.43 2k60 s TRP 132 N -3.15 2.61 0.32 0.67 0.51 0.08 -4.92 118.94 115.06 2k60 s TRP 132 Ca 0.04 0.59 -0.05 0.00 -2.12 0.00 0.00 56.10 54.56 2k60 s TRP 132 Cb 0.07 -3.78 0.07 0.00 -0.81 0.00 0.00 33.47 29.02 2k60 s TRP 132 CO 0.73 -3.03 0.44 -2.37 -0.51 0.00 0.00 176.95 172.20 2k60 n THR 133 N 4.82 0.00 -0.05 2.01 5.66 -1.26 -0.20 114.28 125.25 2k60 n THR 133 Ca 0.15 -0.36 -0.10 0.00 -3.05 0.00 0.00 64.05 60.69 2k60 n THR 133 Cb 0.43 -1.76 -0.04 0.00 -1.55 0.00 0.00 70.33 67.41 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 -1.17 1.10 -0.75 1.08 2.07 -1.92 -0.77 116.25 115.89 2k60 h VAL 134 Ca -0.14 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.13 2k60 h VAL 134 Cb 0.40 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 2k60 h VAL 134 CO 0.11 0.10 0.49 -0.78 0.02 0.00 0.00 177.57 177.50 2k60 h ASP 135 N 0.23 0.83 -0.11 0.57 1.82 -1.94 0.12 116.42 117.93 2k60 h ASP 135 Ca 0.07 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.69 2k60 h ASP 135 Cb 0.05 -0.20 -0.00 0.00 0.68 0.00 0.00 39.33 39.86 2k60 h ASP 135 CO -0.01 0.59 0.03 -0.33 -1.61 0.00 0.00 179.24 177.91 2k60 h GLU 136 N 0.98 0.17 -0.21 0.28 4.39 -1.85 -1.21 114.58 117.13 2k60 h GLU 136 Ca 0.29 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.85 2k60 h GLU 136 Cb -0.06 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2k60 h GLU 136 CO -0.08 0.32 -0.30 -0.24 -1.16 0.00 0.00 179.01 177.55 2k60 h VAL 137 N -0.01 1.28 0.09 3.13 3.04 -0.81 -0.74 116.25 122.23 2k60 h VAL 137 Ca 0.04 -1.34 0.00 0.00 -1.01 0.00 0.00 66.70 64.38 2k60 h VAL 137 Cb 0.22 1.45 -0.00 0.00 -2.01 0.00 0.00 31.29 30.94 2k60 h VAL 137 CO -0.00 0.42 -0.07 0.58 -1.01 0.00 0.00 177.57 177.49 2k60 h VAL 138 N 0.37 0.85 0.00 1.51 2.07 -0.53 0.53 116.25 121.05 2k60 h VAL 138 Ca 0.05 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.48 2k60 h VAL 138 Cb 0.72 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2k60 h VAL 138 CO 0.06 0.00 -0.44 0.06 0.02 0.00 0.00 177.57 177.27 2k60 h GLN 139 N -0.16 0.00 0.01 1.57 3.07 -1.08 -1.40 115.11 117.12 2k60 h GLN 139 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.74 2k60 h GLN 139 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.71 2k60 h GLN 139 CO -0.01 0.44 -0.00 2.35 0.09 0.00 0.00 178.83 181.70 2k60 h TRP 140 N 0.00 -0.01 -0.55 0.06 2.91 -0.68 -0.11 115.95 117.57 2k60 h TRP 140 Ca -0.00 -0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.98 2k60 h TRP 140 Cb 0.79 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.42 2k60 h TRP 140 CO 0.00 0.42 0.18 1.37 -1.03 0.00 0.00 178.44 179.39 2k60 h LEU 141 N -0.44 0.75 -0.03 0.65 8.10 0.34 0.15 115.31 124.82 2k60 h LEU 141 Ca -0.00 -0.11 -0.10 0.00 0.11 0.00 0.00 57.88 57.78 2k60 h LEU 141 Cb 0.44 -0.20 0.01 0.00 -0.44 0.00 0.00 40.66 40.47 2k60 h LEU 141 CO 0.00 0.71 -0.35 0.16 -4.11 0.00 0.00 178.44 174.84 2k60 h ILE 142 N 0.80 1.46 0.00 0.15 3.07 -1.24 0.29 117.51 122.04 2k60 h ILE 142 Ca 0.18 -1.86 0.00 0.00 1.55 0.00 0.00 64.86 64.73 2k60 h ILE 142 Cb 0.22 2.51 0.00 0.00 -0.27 0.00 0.00 36.82 39.28 2k60 h ILE 142 CO -0.01 0.53 0.00 0.00 -1.05 0.00 0.00 178.15 177.62 2k60 h THR 143 N -0.25 0.00 0.00 0.16 1.03 -0.64 -0.04 112.91 113.17 2k60 h THR 143 Ca -0.03 -0.53 -0.13 0.00 -0.01 0.00 0.00 66.41 65.70 2k60 h THR 143 Cb 1.05 1.46 -0.02 0.00 -1.07 0.00 0.00 68.15 69.57 2k60 h THR 143 CO 0.07 0.00 -1.22 -1.22 -0.01 0.00 0.00 175.52 173.14 2k60 n TYR 144 N -2.77 0.00 0.11 0.00 4.02 0.48 -4.70 117.16 114.30 2k60 n TYR 144 Ca 0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.90 2k60 n TYR 144 Cb 0.35 -0.43 -0.03 0.00 -0.02 0.00 0.00 39.34 39.21 2k60 n TYR 144 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2k60 h VAL 145 N -0.57 1.21 -1.44 -0.72 2.07 -0.58 -3.48 116.25 112.74 2k60 h VAL 145 Ca -0.20 -2.69 -0.20 0.00 0.82 0.00 0.00 66.70 64.43 2k60 h VAL 145 Cb 0.96 2.59 -0.01 0.00 -1.52 0.00 0.00 31.29 33.31 2k60 h VAL 145 CO -0.12 0.69 -0.26 -0.62 0.02 0.00 0.00 177.57 177.28 2k60 n GLU 146 N -3.28 -0.82 -3.45 1.57 1.02 -0.03 -4.93 120.64 110.72 2k60 n GLU 146 Ca 0.01 0.49 -0.43 0.00 -0.02 0.00 0.00 57.16 57.21 2k60 n GLU 146 Cb 0.81 -4.55 -0.08 0.00 -0.02 0.00 0.00 31.44 27.61 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 -2.90 5.55 0.00 -4.62 2.01 -1.24 -4.94 118.68 112.54 2k60 s LEU 147 Ca 0.00 -1.44 0.00 0.00 0.01 0.00 0.00 54.13 52.70 2k60 s LEU 147 Cb -0.00 -2.12 0.00 0.00 0.01 0.00 0.00 46.19 44.07 2k60 s LEU 147 CO 0.00 -0.64 0.68 -0.81 1.01 0.00 0.00 176.35 176.60 2k60 n PRO 148 N 5.12 0.99 -0.06 1.29 -0.05 -1.26 -3.53 135.00 137.50 2k60 n PRO 148 Ca -0.12 0.00 0.12 0.00 -0.05 0.00 0.00 63.50 63.45 2k60 n PRO 148 Cb 0.43 -1.31 0.41 0.00 -0.05 0.00 0.00 33.50 32.98 2k60 n PRO 148 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 175.50 176.39 2k60 n GLN 149 N 0.20 1.76 -0.29 0.54 -0.06 -1.26 -4.36 117.38 113.90 2k60 n GLN 149 Ca 0.00 -1.13 0.09 0.00 -2.00 0.00 0.00 57.00 53.96 2k60 n GLN 149 Cb 0.34 -1.43 0.32 0.00 -4.06 0.00 0.00 30.24 25.41 2k60 n GLN 149 CO 0.00 0.00 0.00 0.10 -0.20 0.00 0.00 177.06 176.96 2k60 h TYR 150 N 2.42 0.94 0.45 3.69 -0.00 -1.95 -1.73 116.97 120.78 2k60 h TYR 150 Ca 0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 58.73 58.75 2k60 h TYR 150 Cb 0.52 -0.30 -0.02 0.00 -0.00 0.00 0.00 36.73 36.93 2k60 h TYR 150 CO 0.08 0.39 -0.44 1.49 -0.00 0.00 0.00 178.16 179.67 2k60 h GLU 151 N 0.83 -0.87 -0.16 0.10 4.57 -1.92 0.31 114.58 117.44 2k60 h GLU 151 Ca 0.44 0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.66 2k60 h GLU 151 Cb 0.54 0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.32 2k60 h GLU 151 CO -0.20 -0.58 0.01 0.93 -1.18 0.00 0.00 179.01 177.98 2k60 h GLU 152 N -0.90 0.28 -0.49 1.92 5.08 -1.78 -1.66 114.58 117.04 2k60 h GLU 152 Ca -0.05 -0.09 -0.13 0.00 -1.00 0.00 0.00 59.36 58.10 2k60 h GLU 152 Cb 0.79 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2k60 h GLU 152 CO -0.06 0.49 -0.20 0.00 -1.00 0.00 0.00 179.01 178.25 2k60 h THR 153 N 0.04 1.27 -0.38 1.13 1.03 -1.20 -0.12 112.91 114.67 2k60 h THR 153 Ca 0.05 -1.36 -0.12 0.00 -0.01 0.00 0.00 66.41 64.97 2k60 h THR 153 Cb 0.36 1.10 -0.01 0.00 -1.07 0.00 0.00 68.15 68.52 2k60 h THR 153 CO 0.01 0.47 -0.24 2.19 -0.01 0.00 0.00 175.52 177.93 2k60 h PHE 154 N 0.87 0.89 0.00 0.00 -5.15 -0.29 0.23 116.94 113.49 2k60 h PHE 154 Ca 0.12 -0.21 -0.07 0.00 -0.20 0.00 0.00 57.97 57.61 2k60 h PHE 154 Cb 0.78 -0.21 -0.01 0.00 0.22 0.00 0.00 35.95 36.73 2k60 h PHE 154 CO 0.05 0.95 -0.31 0.07 -2.00 0.00 0.00 178.31 177.07 2k60 h ARG 155 N 0.68 0.00 0.01 6.09 0.11 -1.10 0.18 114.38 120.35 2k60 h ARG 155 Ca 0.09 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.17 2k60 h ARG 155 Cb 0.76 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.84 2k60 h ARG 155 CO 0.06 0.31 -0.01 0.87 0.10 0.00 0.00 179.97 181.31 2k60 h LYS 156 N 0.00 -0.02 0.00 0.08 1.79 -0.37 -3.41 116.57 114.64 2k60 h LYS 156 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2k60 h LYS 156 Cb 0.90 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 2k60 h LYS 156 CO 0.04 0.78 -0.33 1.47 -1.08 0.00 0.00 179.45 180.32 2k60 n LEU 157 N -4.69 0.08 -2.93 2.94 -0.00 0.01 -5.06 117.00 107.35 2k60 n LEU 157 Ca -0.09 -0.39 -0.11 0.00 -0.00 0.00 0.00 56.01 55.43 2k60 n LEU 157 Cb 0.39 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.82 2k60 n LEU 157 CO 0.31 0.02 -0.08 0.00 -0.00 0.00 0.00 177.39 177.64 2k60 n GLN 158 N -1.17 -2.43 -2.01 1.47 6.02 0.63 -4.98 117.38 114.91 2k60 n GLN 158 Ca 0.00 2.10 -0.32 0.00 -0.01 0.00 0.00 57.00 58.77 2k60 n GLN 158 Cb 0.04 -5.06 0.00 0.00 1.02 0.00 0.00 30.24 26.24 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 -2.42 3.36 0.00 1.08 2.34 -1.26 -4.92 118.68 116.86 2k60 s LEU 159 Ca 0.23 1.53 0.00 0.00 0.06 0.00 0.00 54.13 55.95 2k60 s LEU 159 Cb -0.06 -4.49 0.00 0.00 -0.56 0.00 0.00 46.19 41.08 2k60 s LEU 159 CO 0.77 -0.89 0.00 -1.54 -1.06 0.00 0.00 176.35 173.63 2k60 n SER 160 N -2.37 0.00 0.09 1.48 3.41 -1.26 -3.45 113.62 111.51 2k60 n SER 160 Ca 0.07 -0.22 0.20 0.00 -0.26 0.00 0.00 58.87 58.65 2k60 n SER 160 Cb 0.54 0.00 0.75 0.00 -0.26 0.00 0.00 64.21 65.24 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 0.99 5.00 0.00 -0.66 0.29 103.07 108.69 2k60 h GLY 161 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 2k60 h GLY 161 CO 0.00 0.00 -1.37 -2.39 0.00 0.00 0.00 176.54 172.78 2k60 n HIS 162 N -3.90 0.99 0.19 5.60 1.44 -1.26 -3.87 115.22 114.41 2k60 n HIS 162 Ca 0.07 0.33 0.10 0.00 -2.01 0.00 0.00 57.72 56.21 2k60 n HIS 162 Cb 0.56 -1.08 0.13 0.00 0.12 0.00 0.00 29.99 29.72 2k60 n HIS 162 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2k60 h ALA 163 N 1.48 0.90 0.08 1.59 0.00 -1.04 -1.92 119.26 120.35 2k60 h ALA 163 Ca -0.15 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.69 2k60 h ALA 163 Cb 1.53 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 2k60 h ALA 163 CO 0.04 0.13 -0.25 0.52 0.00 0.00 0.00 179.25 179.69 2k60 h MET 164 N 0.00 -0.41 -0.22 0.00 0.00 -0.70 0.30 114.93 113.90 2k60 h MET 164 Ca -0.00 0.03 -0.18 0.00 0.00 0.00 0.00 59.70 59.54 2k60 h MET 164 Cb 1.08 0.09 -0.00 0.00 0.00 0.00 0.00 31.60 32.77 2k60 h MET 164 CO 0.01 -0.28 -0.59 -1.00 0.00 0.00 0.00 176.91 175.06 2k60 h PRO 165 N -0.43 0.72 -0.02 -0.22 0.13 -1.75 -2.79 132.00 127.64 2k60 h PRO 165 Ca 0.04 -0.48 0.01 0.00 -0.87 0.00 0.00 66.00 64.70 2k60 h PRO 165 Cb 0.47 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.67 2k60 h PRO 165 CO -0.16 1.10 0.02 0.07 -0.23 0.00 0.00 178.00 178.80 2k60 h ARG 166 N 0.54 0.00 0.00 0.86 -0.00 -0.92 -0.59 114.38 114.27 2k60 h ARG 166 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2k60 h ARG 166 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.14 2k60 h ARG 166 CO 0.12 0.00 -1.08 1.47 -0.00 0.00 0.00 179.97 180.48 2k60 n LEU 167 N -3.74 0.61 0.11 0.08 -0.00 0.10 -4.09 117.00 110.06 2k60 n LEU 167 Ca -0.03 -0.07 0.12 0.00 -0.00 0.00 0.00 56.01 56.04 2k60 n LEU 167 Cb 0.11 -0.08 0.46 0.00 -0.00 0.00 0.00 43.42 43.90 2k60 n LEU 167 CO 0.26 0.06 0.86 0.00 -0.00 0.00 0.00 177.39 178.57 2k60 n ALA 168 N -1.82 1.86 -2.56 1.47 0.00 -0.23 -4.52 120.51 114.70 2k60 n ALA 168 Ca 0.02 0.04 -0.39 0.00 0.00 0.00 0.00 53.44 53.10 2k60 n ALA 168 Cb 0.43 -1.40 -0.11 0.00 0.00 0.00 0.00 19.45 18.38 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 -3.22 5.28 0.00 0.00 0.11 -1.22 -4.57 120.40 116.78 2k60 s VAL 169 Ca 0.07 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 2k60 s VAL 169 Cb 0.11 -3.63 0.00 0.00 -1.53 0.00 0.00 36.38 31.32 2k60 s VAL 169 CO 0.44 0.12 0.00 0.35 -3.33 0.00 0.00 175.10 172.68 2k60 n THR 170 N 5.10 0.00 0.00 5.04 -2.24 -1.26 -4.14 114.28 116.77 2k60 n THR 170 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2k60 n THR 170 Cb 0.51 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 2k60 n THR 170 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2k60 n ASN 171 N -3.50 4.88 -0.10 3.42 0.23 -1.26 -4.55 115.26 114.38 2k60 n ASN 171 Ca 0.00 0.00 0.02 0.00 -0.53 0.00 0.00 54.58 54.07 2k60 n ASN 171 Cb 0.00 0.52 0.34 0.00 -2.08 0.00 0.00 39.78 38.56 2k60 n ASN 171 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 2k60 h THR 172 N 0.00 1.15 -0.52 5.53 2.02 -1.88 -0.39 112.91 118.82 2k60 h THR 172 Ca 0.00 -0.28 -0.07 0.00 0.77 0.00 0.00 66.41 66.84 2k60 h THR 172 Cb 0.91 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 2k60 h THR 172 CO 0.00 0.14 0.06 0.74 0.37 0.00 0.00 175.52 176.83 2k60 h THR 173 N 0.76 1.24 0.00 3.16 2.02 -1.86 -3.21 112.91 115.03 2k60 h THR 173 Ca 0.21 -0.94 -0.02 0.00 0.77 0.00 0.00 66.41 66.43 2k60 h THR 173 Cb -0.08 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 2k60 h THR 173 CO -0.04 0.34 -0.12 -0.03 0.37 0.00 0.00 175.52 176.04 2k60 h MET 174 N 0.79 0.00 -6.81 6.66 1.85 -1.50 -3.47 114.93 112.45 2k60 h MET 174 Ca 0.16 -0.00 -0.50 0.00 -0.61 0.00 0.00 59.70 58.75 2k60 h MET 174 Cb 0.39 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.43 2k60 h MET 174 CO 0.01 1.00 0.43 -0.08 -0.40 0.00 0.00 176.91 177.87 2k60 s THR 175 N -2.23 3.69 0.00 -0.77 -1.32 -0.25 -4.91 115.64 109.85 2k60 s THR 175 Ca -0.20 1.64 0.02 0.00 -1.21 0.00 0.00 61.69 61.95 2k60 s THR 175 Cb -0.02 -4.02 0.03 0.00 -1.51 0.00 0.00 72.50 66.98 2k60 s THR 175 CO 0.68 0.35 0.96 0.61 -2.21 0.00 0.00 174.62 175.01 2k60 n GLY 176 N 1.14 0.59 2.03 6.08 0.00 -1.26 -4.82 105.19 108.95 2k60 n GLY 176 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2k60 n GLY 176 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k60 n THR 177 N 0.04 0.00 0.09 2.61 -1.04 -1.26 -5.10 114.28 109.62 2k60 n THR 177 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2k60 n THR 177 Cb 0.72 -0.18 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 2k60 n THR 177 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 2k60 n VAL 178 N -2.98 0.00 -3.11 12.58 3.14 -1.26 -5.11 118.33 121.59 2k60 n VAL 178 Ca 0.00 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.26 2k60 n VAL 178 Cb 0.00 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 32.79 2k60 n VAL 178 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2k60 n LEU 179 N -2.78 -6.18 -2.03 6.55 4.32 -1.26 -4.71 117.00 110.91 2k60 n LEU 179 Ca 0.00 0.10 0.00 0.00 -0.02 0.00 0.00 56.01 56.09 2k60 n LEU 179 Cb 0.00 -2.93 0.00 0.00 -1.62 0.00 0.00 43.42 38.87 2k60 n LEU 179 CO 0.00 -1.36 -0.38 1.17 -1.22 0.00 0.00 177.39 175.60 2k60 n LYS 180 N -0.96 -4.05 0.00 3.23 3.00 -1.26 -4.77 118.16 113.34 2k60 n LYS 180 Ca 0.01 3.05 0.00 0.00 -0.00 0.00 0.00 58.31 61.37 2k60 n LYS 180 Cb 0.53 -3.76 0.00 0.00 0.00 0.00 0.00 35.03 31.80 2k60 n LYS 180 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2k60 n MET 181 N 1.42 0.64 -3.83 1.64 2.81 -1.26 -4.37 117.12 114.18 2k60 n MET 181 Ca 0.00 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.59 2k60 n MET 181 Cb 0.00 -1.29 -0.15 0.00 -0.71 0.00 0.00 33.22 31.07 2k60 n MET 181 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2k60 s THR 182 N -0.66 1.17 0.32 2.03 2.01 -1.26 -4.99 115.64 114.26 2k60 s THR 182 Ca 0.00 -1.30 0.03 0.00 0.31 0.00 0.00 61.69 60.73 2k60 s THR 182 Cb 0.00 -1.71 0.29 0.00 0.01 0.00 0.00 72.50 71.09 2k60 s THR 182 CO 0.00 -0.41 1.90 -2.24 -0.69 0.00 0.00 174.62 173.19 2k60 h ASP 183 N 8.02 0.84 -0.01 3.53 2.03 -1.94 0.61 116.42 129.50 2k60 h ASP 183 Ca -0.14 0.02 -0.01 0.00 -0.73 0.00 0.00 57.03 56.17 2k60 h ASP 183 Cb 1.05 -0.16 -0.00 0.00 -0.83 0.00 0.00 39.33 39.39 2k60 h ASP 183 CO 0.43 0.51 -0.02 -0.09 -1.03 0.00 0.00 179.24 179.05 2k60 h ARG 184 N 0.94 0.03 -0.09 4.15 9.65 -1.94 -1.53 114.38 125.58 2k60 h ARG 184 Ca 0.40 -0.02 -0.16 0.00 -1.10 0.00 0.00 59.98 59.10 2k60 h ARG 184 Cb 0.31 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.89 2k60 h ARG 184 CO -0.16 0.56 -0.62 1.03 2.80 0.00 0.00 179.97 183.58 2k60 h SER 185 N -0.50 0.38 0.41 -3.80 0.87 -1.88 -0.39 113.55 108.65 2k60 h SER 185 Ca 0.00 -0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.32 2k60 h SER 185 Cb 0.56 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 2k60 h SER 185 CO 0.00 0.90 -0.20 -0.74 -0.53 0.00 0.00 176.83 176.27 2k60 h HIS 186 N 0.25 -0.52 -0.58 2.24 -0.00 -0.91 -1.46 115.15 114.17 2k60 h HIS 186 Ca -0.01 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.30 2k60 h HIS 186 Cb 1.14 0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 28.70 2k60 h HIS 186 CO 0.03 -0.20 0.17 0.07 -0.00 0.00 0.00 177.93 178.00 2k60 h ARG 187 N -0.84 0.88 -0.24 5.26 0.11 -1.20 -0.86 114.38 117.48 2k60 h ARG 187 Ca -0.06 -0.17 -0.01 0.00 0.10 0.00 0.00 59.98 59.84 2k60 h ARG 187 Cb 0.55 -0.14 -0.01 0.00 1.11 0.00 0.00 29.97 31.48 2k60 h ARG 187 CO 0.09 0.77 0.10 1.96 0.10 0.00 0.00 179.97 183.00 2k60 h GLN 188 N 0.86 0.36 -0.18 0.08 1.08 -1.01 0.48 115.11 116.78 2k60 h GLN 188 Ca 0.19 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.28 2k60 h GLN 188 Cb 0.27 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 2k60 h GLN 188 CO -0.01 0.40 -0.06 0.87 -0.95 0.00 0.00 178.83 179.08 2k60 h LYS 189 N 0.24 0.36 0.26 1.46 1.79 -1.04 -0.85 116.57 118.79 2k60 h LYS 189 Ca 0.08 -0.14 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 2k60 h LYS 189 Cb 0.17 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 2k60 h LYS 189 CO -0.01 0.63 -0.12 -0.07 -1.08 0.00 0.00 179.45 178.80 2k60 h LEU 190 N 0.06 -0.29 -0.94 2.94 -0.00 -1.10 -1.94 115.31 114.04 2k60 h LEU 190 Ca 0.04 -0.06 -0.06 0.00 -0.00 0.00 0.00 57.88 57.80 2k60 h LEU 190 Cb 0.51 0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 41.22 2k60 h LEU 190 CO 0.02 -0.13 0.13 0.06 -0.00 0.00 0.00 178.44 178.53 2k60 h GLN 191 N -0.45 0.91 0.09 1.13 3.07 -0.08 0.55 115.11 120.34 2k60 h GLN 191 Ca -0.04 -0.20 0.02 0.00 0.09 0.00 0.00 58.65 58.52 2k60 h GLN 191 Cb 0.34 -0.13 -0.03 0.00 0.08 0.00 0.00 27.48 27.74 2k60 h GLN 191 CO 0.06 0.82 -0.20 1.25 0.09 0.00 0.00 178.83 180.85 2k60 h LEU 192 N 0.87 -0.57 0.07 0.06 7.12 -0.97 0.43 115.31 122.32 2k60 h LEU 192 Ca 0.19 0.07 -0.22 0.00 0.13 0.00 0.00 57.88 58.04 2k60 h LEU 192 Cb 0.33 0.22 0.02 0.00 -0.53 0.00 0.00 40.66 40.70 2k60 h LEU 192 CO 0.00 -0.28 -0.91 0.11 -0.13 0.00 0.00 178.44 177.22 2k60 h LYS 193 N -0.38 0.50 0.00 1.25 6.56 -1.03 -1.68 116.57 121.79 2k60 h LYS 193 Ca 0.03 -0.63 -0.00 0.00 -1.06 0.00 0.00 60.65 58.99 2k60 h LYS 193 Cb 0.41 0.20 0.00 0.00 -0.57 0.00 0.00 32.23 32.27 2k60 h LYS 193 CO -0.12 1.25 -0.00 0.00 -2.06 0.00 0.00 179.45 178.52 2k60 h ALA 194 N 0.27 -0.00 -0.27 3.86 0.00 0.19 0.58 119.26 123.88 2k60 h ALA 194 Ca -0.13 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 2k60 h ALA 194 Cb 1.63 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 2k60 h ALA 194 CO 0.18 -0.39 -0.18 1.25 0.00 0.00 0.00 179.25 180.11 2k60 h LEU 195 N -0.22 0.63 -1.69 0.00 5.85 -0.25 0.30 115.31 119.92 2k60 h LEU 195 Ca -0.00 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.29 2k60 h LEU 195 Cb 0.22 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2k60 h LEU 195 CO 0.00 0.93 0.20 -0.78 -0.34 0.00 0.00 178.44 178.45 2k60 h ASP 196 N 0.34 0.36 0.00 1.25 3.58 -1.25 -0.70 116.42 120.00 2k60 h ASP 196 Ca 0.06 -0.01 -0.16 0.00 0.42 0.00 0.00 57.03 57.34 2k60 h ASP 196 Cb 0.71 -0.09 0.01 0.00 1.72 0.00 0.00 39.33 41.68 2k60 h ASP 196 CO 0.05 0.26 -0.62 0.74 -2.88 0.00 0.00 179.24 176.79 2k60 h THR 197 N 0.42 1.42 0.00 2.25 2.02 -0.26 0.55 112.91 119.31 2k60 h THR 197 Ca 0.11 -2.09 -0.04 0.00 0.77 0.00 0.00 66.41 65.16 2k60 h THR 197 Cb -0.05 2.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.96 2k60 h THR 197 CO -0.02 0.61 -0.17 -0.37 0.37 0.00 0.00 175.52 175.94 2k60 h VAL 198 N -0.09 0.56 0.00 3.16 -1.51 -0.04 -1.03 116.25 117.30 2k60 h VAL 198 Ca -0.08 -0.79 -0.22 0.00 -1.23 0.00 0.00 66.70 64.38 2k60 h VAL 198 Cb 1.33 1.53 -0.03 0.00 -2.13 0.00 0.00 31.29 31.99 2k60 h VAL 198 CO 0.12 0.17 -1.26 0.18 -1.23 0.00 0.00 177.57 175.55 2k60 n LEU 199 N -3.53 1.86 -0.03 4.19 4.77 -0.30 -4.57 117.00 119.39 2k60 n LEU 199 Ca -0.01 0.45 -0.03 0.00 -0.03 0.00 0.00 56.01 56.38 2k60 n LEU 199 Cb 0.32 -0.94 -0.01 0.00 -2.33 0.00 0.00 43.42 40.46 2k60 n LEU 199 CO 0.31 0.18 -0.26 0.33 -1.33 0.00 0.00 177.39 176.63 2k60 n PHE 200 N -4.44 0.00 -0.38 -1.77 7.35 0.19 -4.91 117.46 113.49 2k60 n PHE 200 Ca -0.30 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.39 2k60 n PHE 200 Cb 0.64 -0.19 0.00 0.00 0.35 0.00 0.00 39.48 40.27 2k60 n PHE 200 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41