#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 6.34 0.28 1.61 1.04 -1.26 -4.95 113.70 116.77 2k60 s SER -4 Ca 0.00 0.94 0.05 0.00 0.48 0.00 0.00 55.95 57.42 2k60 s SER -4 Cb 0.00 -2.25 0.40 0.00 0.10 0.00 0.00 66.02 64.27 2k60 s SER -4 CO 0.00 -0.49 1.67 0.45 0.98 0.00 0.00 173.24 175.85 2k60 h HIS -3 N 0.63 0.33 0.00 5.02 -0.00 -1.94 -2.78 115.15 116.40 2k60 h HIS -3 Ca -0.47 -0.09 -0.03 0.00 -0.00 0.00 0.00 60.37 59.77 2k60 h HIS -3 Cb 1.20 -0.07 -0.00 0.00 -0.00 0.00 0.00 27.41 28.53 2k60 h HIS -3 CO 0.58 0.67 -0.16 0.00 -0.00 0.00 0.00 177.93 179.03 2k60 h MET -2 N 0.23 0.00 -0.72 2.45 -0.00 -1.96 -1.88 114.93 113.05 2k60 h MET -2 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.72 2k60 h MET -2 Cb 0.87 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.47 2k60 h MET -2 CO 0.07 0.16 0.00 0.00 -0.00 0.00 0.00 176.91 177.13 2k60 n ALA -1 N -2.44 2.65 -3.77 -3.00 0.00 -1.06 -4.62 120.51 108.27 2k60 n ALA -1 Ca -0.02 -1.41 -0.30 0.00 0.00 0.00 0.00 53.44 51.71 2k60 n ALA -1 Cb 0.23 -0.97 -0.13 0.00 0.00 0.00 0.00 19.45 18.57 2k60 n ALA -1 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2k60 s SER 0 N -0.96 3.85 0.20 0.00 0.01 -0.71 -4.41 113.70 111.68 2k60 s SER 0 Ca 0.51 -2.55 -0.23 0.00 1.31 0.00 0.00 55.95 54.99 2k60 s SER 0 Cb 0.29 -1.14 -0.08 0.00 0.21 0.00 0.00 66.02 65.30 2k60 s SER 0 CO 0.31 -0.28 0.76 -0.44 0.41 0.00 0.00 173.24 173.99 2k60 s SER 58 N 0.43 7.25 -0.58 2.44 0.01 -1.26 -4.87 113.70 117.12 2k60 s SER 58 Ca 0.16 1.56 -0.19 0.00 1.31 0.00 0.00 55.95 58.79 2k60 s SER 58 Cb -0.24 -2.47 0.09 0.00 0.21 0.00 0.00 66.02 63.61 2k60 s SER 58 CO -0.03 0.12 0.72 -1.61 0.41 0.00 0.00 173.24 172.85 2k60 s GLU 59 N -1.53 3.08 -0.18 12.44 2.02 -1.26 -4.54 118.70 128.72 2k60 s GLU 59 Ca 0.39 -1.14 -0.03 0.00 0.02 0.00 0.00 54.97 54.21 2k60 s GLU 59 Cb -0.20 -4.21 0.01 0.00 0.10 0.00 0.00 34.13 29.83 2k60 s GLU 59 CO 0.24 -1.49 0.07 -3.47 0.02 0.00 0.00 175.26 170.63 2k60 n ASP 60 N 6.46 -4.12 -4.67 -0.19 2.03 -1.26 -4.93 116.55 109.87 2k60 n ASP 60 Ca -0.08 0.97 -0.42 0.00 0.52 0.00 0.00 54.79 55.78 2k60 n ASP 60 Cb 0.44 -3.98 -0.03 0.00 -0.72 0.00 0.00 41.12 36.83 2k60 n ASP 60 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2k60 s GLU 61 N -0.99 4.23 -0.24 -0.67 2.02 -1.26 -4.89 118.70 116.89 2k60 s GLU 61 Ca -0.08 1.99 -0.13 0.00 0.02 0.00 0.00 54.97 56.78 2k60 s GLU 61 Cb 0.01 -3.78 -0.16 0.00 0.10 0.00 0.00 34.13 30.29 2k60 s GLU 61 CO 0.55 -0.72 -0.10 1.63 0.02 0.00 0.00 175.26 176.64 2k60 n LYS 62 N 6.36 0.61 -2.56 1.61 4.76 -1.26 -4.93 118.16 122.75 2k60 n LYS 62 Ca 0.15 0.33 -0.27 0.00 -2.87 0.00 0.00 58.31 55.65 2k60 n LYS 62 Cb 0.43 -1.59 0.02 0.00 -1.84 0.00 0.00 35.03 32.05 2k60 n LYS 62 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2k60 s LEU 63 N -7.39 3.44 0.08 -0.35 2.01 -1.26 -5.00 118.68 110.21 2k60 s LEU 63 Ca -0.34 0.76 0.20 0.00 0.01 0.00 0.00 54.13 54.76 2k60 s LEU 63 Cb 0.11 -3.64 -0.13 0.00 0.01 0.00 0.00 46.19 42.53 2k60 s LEU 63 CO 0.57 -0.82 0.79 -1.20 1.01 0.00 0.00 176.35 176.70 2k60 n SER 64 N -2.39 0.64 -0.01 2.29 7.64 -1.26 -3.85 113.62 116.68 2k60 n SER 64 Ca 0.02 0.26 -0.10 0.00 1.01 0.00 0.00 58.87 60.07 2k60 n SER 64 Cb 0.57 0.67 0.04 0.00 -1.01 0.00 0.00 64.21 64.48 2k60 n SER 64 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 2k60 h PHE 65 N 0.00 0.75 -0.44 1.43 3.04 -1.98 0.20 116.94 119.94 2k60 h PHE 65 Ca -0.10 -0.26 -0.05 0.00 3.98 0.00 0.00 57.97 61.54 2k60 h PHE 65 Cb 1.30 -0.14 -0.02 0.00 2.56 0.00 0.00 35.95 39.64 2k60 h PHE 65 CO 0.00 1.01 0.07 1.05 -2.02 0.00 0.00 178.31 178.42 2k60 h GLU 66 N 0.46 0.67 -0.09 1.11 4.11 -1.99 0.28 114.58 119.12 2k60 h GLU 66 Ca 0.01 -0.13 -0.02 0.00 0.07 0.00 0.00 59.36 59.29 2k60 h GLU 66 Cb 1.09 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 2k60 h GLU 66 CO 0.10 0.64 -0.01 0.00 0.07 0.00 0.00 179.01 179.81 2k60 h ALA 67 N 1.44 0.13 -0.44 1.06 0.00 -1.54 -0.13 119.26 119.77 2k60 h ALA 67 Ca 0.14 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2k60 h ALA 67 Cb 0.30 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2k60 h ALA 67 CO 0.00 -0.18 0.22 -0.39 0.00 0.00 0.00 179.25 178.91 2k60 h VAL 68 N -0.12 0.98 0.00 0.00 -1.51 -0.20 -0.29 116.25 115.10 2k60 h VAL 68 Ca 0.03 -0.15 -0.06 0.00 -1.23 0.00 0.00 66.70 65.28 2k60 h VAL 68 Cb 0.37 0.49 -0.01 0.00 -2.13 0.00 0.00 31.29 30.01 2k60 h VAL 68 CO 0.01 0.08 -0.31 0.08 -1.23 0.00 0.00 177.57 176.20 2k60 h ARG 69 N 0.45 0.00 0.17 5.19 0.11 -0.91 -1.31 114.38 118.08 2k60 h ARG 69 Ca 0.19 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.26 2k60 h ARG 69 Cb 0.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.17 2k60 h ARG 69 CO -0.13 0.31 -0.08 -0.97 0.10 0.00 0.00 179.97 179.20 2k60 h ASN 70 N 0.00 -0.19 -0.08 0.08 -0.73 0.67 0.45 115.58 115.78 2k60 h ASN 70 Ca -0.00 -0.06 -0.09 0.00 1.87 0.00 0.00 56.30 58.01 2k60 h ASN 70 Cb 0.60 0.05 -0.01 0.00 0.27 0.00 0.00 38.32 39.22 2k60 h ASN 70 CO 0.04 -0.06 -0.23 0.40 -0.37 0.00 0.00 177.43 177.20 2k60 h ILE 71 N -0.31 1.26 -0.03 2.57 5.03 -0.88 -1.46 117.51 123.69 2k60 h ILE 71 Ca -0.02 -1.24 -0.12 0.00 -0.12 0.00 0.00 64.86 63.35 2k60 h ILE 71 Cb 0.24 1.32 -0.01 0.00 -3.03 0.00 0.00 36.82 35.33 2k60 h ILE 71 CO 0.04 0.40 -0.55 0.45 -0.68 0.00 0.00 178.15 177.80 2k60 h HIS 72 N 0.44 0.12 0.00 1.37 3.86 -1.05 -2.88 115.15 117.01 2k60 h HIS 72 Ca 0.07 -0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.19 2k60 h HIS 72 Cb 0.65 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.09 2k60 h HIS 72 CO 0.02 0.63 -0.19 1.57 0.86 0.00 0.00 177.93 180.82 2k60 h LYS 73 N 0.08 0.00 -0.81 2.45 5.09 0.76 -2.54 116.57 121.60 2k60 h LYS 73 Ca -0.00 0.00 0.23 0.00 0.09 0.00 0.00 60.65 60.97 2k60 h LYS 73 Cb 1.00 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.30 2k60 h LYS 73 CO 0.08 0.19 0.66 -0.07 -2.09 0.00 0.00 179.45 178.21 2k60 h LEU 74 N 0.00 0.00 0.00 7.07 3.38 -1.07 -3.05 115.31 121.64 2k60 h LEU 74 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2k60 h LEU 74 Cb 0.66 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 2k60 h LEU 74 CO 0.02 0.00 -0.56 0.24 0.09 0.00 0.00 178.44 178.23 2k60 h MET 75 N 0.00 0.00 -6.08 1.13 2.86 -1.63 -3.45 114.93 107.76 2k60 h MET 75 Ca 0.38 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 57.44 2k60 h MET 75 Cb 1.69 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.34 2k60 h MET 75 CO -0.00 0.09 1.42 0.34 1.06 0.00 0.00 176.91 179.82 2k60 s ASP 76 N -5.83 5.56 0.28 1.22 2.15 -1.15 -4.09 116.67 114.81 2k60 s ASP 76 Ca -0.16 1.60 -0.03 0.00 0.43 0.00 0.00 52.55 54.40 2k60 s ASP 76 Cb 0.02 -2.52 0.38 0.00 -0.30 0.00 0.00 42.92 40.51 2k60 s ASP 76 CO 0.25 -1.92 1.91 -0.78 -0.17 0.00 0.00 175.17 174.46 2k60 h ASP 77 N 14.46 0.95 0.49 -0.34 3.58 -1.76 -1.69 116.42 132.12 2k60 h ASP 77 Ca -0.37 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.01 2k60 h ASP 77 Cb 1.21 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 42.02 2k60 h ASP 77 CO 1.00 0.75 -0.45 -0.90 -2.88 0.00 0.00 179.24 176.76 2k60 n ASP 78 N -4.36 0.53 -3.47 2.28 5.75 -1.26 -0.05 116.55 115.97 2k60 n ASP 78 Ca 0.08 -0.29 -0.14 0.00 -0.01 0.00 0.00 54.79 54.44 2k60 n ASP 78 Cb 0.08 0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 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 -2.67 0.51 2.12 0.00 -0.64 -4.08 120.51 114.34 2k60 n ALA 79 Ca 0.06 -0.15 0.11 0.00 0.00 0.00 0.00 53.44 53.46 2k60 n ALA 79 Cb 0.34 -1.09 0.17 0.00 0.00 0.00 0.00 19.45 18.86 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 -2.25 3.21 0.00 0.00 6.94 -1.26 -4.77 115.26 117.13 2k60 n ASN 80 Ca -0.18 -1.96 0.00 0.00 -0.02 0.00 0.00 54.58 52.42 2k60 n ASN 80 Cb 0.61 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 37.87 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 1.36 1.28 3.05 4.83 0.00 -1.26 -5.03 105.19 109.42 2k60 n GLY 81 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.76 -0.20 -0.35 1.61 1.47 -1.26 -1.06 116.67 115.12 2k60 s ASP 82 Ca 0.00 0.41 -0.19 0.00 1.18 0.00 0.00 52.55 53.95 2k60 s ASP 82 Cb 0.00 0.36 -0.00 0.00 -0.34 0.00 0.00 42.92 42.94 2k60 s ASP 82 CO 0.00 -0.10 0.55 -0.69 0.68 0.00 0.00 175.17 175.60 2k60 s VAL 83 N 0.54 4.99 0.54 2.11 1.01 0.11 -4.87 120.40 124.83 2k60 s VAL 83 Ca -0.04 0.44 -0.02 0.00 0.00 0.00 0.00 61.98 62.36 2k60 s VAL 83 Cb -0.05 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.36 2k60 s VAL 83 CO -0.03 -0.22 0.80 -0.62 0.00 0.00 0.00 175.10 175.03 2k60 s ASP 84 N 1.75 5.53 0.39 3.32 -1.08 -1.26 -1.36 116.67 123.96 2k60 s ASP 84 Ca 0.20 0.37 0.09 0.00 -0.52 0.00 0.00 52.55 52.69 2k60 s ASP 84 Cb -0.15 -1.40 0.80 0.00 -1.46 0.00 0.00 42.92 40.71 2k60 s ASP 84 CO 0.13 -1.01 1.94 -0.37 0.52 0.00 0.00 175.17 176.39 2k60 h VAL 85 N 0.04 1.16 0.00 1.11 -1.51 -1.97 0.20 116.25 115.28 2k60 h VAL 85 Ca -0.45 -0.67 -0.14 0.00 -1.23 0.00 0.00 66.70 64.21 2k60 h VAL 85 Cb 1.27 1.09 -0.02 0.00 -2.13 0.00 0.00 31.29 31.50 2k60 h VAL 85 CO 0.58 0.22 -0.65 -0.33 -1.23 0.00 0.00 177.57 176.15 2k60 h GLU 86 N 0.28 0.00 0.02 5.19 5.08 -1.98 -2.99 114.58 120.18 2k60 h GLU 86 Ca 0.06 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.15 2k60 h GLU 86 Cb 0.30 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.57 2k60 h GLU 86 CO 0.01 0.65 -1.07 0.93 -1.00 0.00 0.00 179.01 178.54 2k60 h GLU 87 N 0.00 0.69 -0.02 2.33 5.08 -1.51 -3.15 114.58 118.00 2k60 h GLU 87 Ca -0.01 -0.77 0.00 0.00 -1.00 0.00 0.00 59.36 57.59 2k60 h GLU 87 Cb 1.48 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.96 2k60 h GLU 87 CO 0.08 1.33 0.00 -1.13 -1.00 0.00 0.00 179.01 178.30 2k60 n SER 88 N -3.86 0.32 -0.15 1.42 3.41 -0.09 -3.84 113.62 110.84 2k60 n SER 88 Ca -0.12 -1.28 -0.04 0.00 -0.26 0.00 0.00 58.87 57.18 2k60 n SER 88 Cb 0.90 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.80 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 -0.67 -0.37 0.08 4.04 2.03 -1.13 -1.05 116.55 119.48 2k60 n ASP 89 Ca 0.19 1.20 -0.17 0.00 0.52 0.00 0.00 54.79 56.53 2k60 n ASP 89 Cb 0.14 -0.37 -0.14 0.00 -0.72 0.00 0.00 41.12 40.02 2k60 n ASP 89 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2k60 h GLU 90 N 0.00 0.28 0.00 -0.67 4.11 -1.88 -3.42 114.58 113.00 2k60 h GLU 90 Ca 0.06 -0.48 0.00 0.00 0.07 0.00 0.00 59.36 59.01 2k60 h GLU 90 Cb 0.14 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2k60 h GLU 90 CO -0.32 1.16 0.00 1.19 0.07 0.00 0.00 179.01 181.11 2k60 n PHE 91 N -3.49 0.00 -0.22 2.06 3.01 -0.32 -1.69 117.46 116.81 2k60 n PHE 91 Ca -0.15 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.34 2k60 n PHE 91 Cb 1.04 -0.25 0.14 0.00 -0.01 0.00 0.00 39.48 40.41 2k60 n PHE 91 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 2k60 h LEU 92 N 0.00 0.04 0.10 4.37 5.85 -1.36 0.44 115.31 124.76 2k60 h LEU 92 Ca 0.00 0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.85 2k60 h LEU 92 Cb 0.00 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 2k60 h LEU 92 CO 0.00 0.01 -0.33 0.03 -0.34 0.00 0.00 178.44 177.81 2k60 h ARG 93 N 0.29 -0.47 0.06 1.25 3.08 -1.71 -1.38 114.38 115.50 2k60 h ARG 93 Ca 0.36 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.44 2k60 h ARG 93 Cb 0.56 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.72 2k60 h ARG 93 CO -0.44 -0.31 -0.03 0.93 -1.07 0.00 0.00 179.97 179.05 2k60 h GLU 94 N -0.49 -0.08 -0.84 0.04 4.39 -0.73 0.58 114.58 117.46 2k60 h GLU 94 Ca -0.01 0.01 0.21 0.00 0.34 0.00 0.00 59.36 59.90 2k60 h GLU 94 Cb 0.48 0.02 -0.13 0.00 -0.10 0.00 0.00 28.75 29.02 2k60 h GLU 94 CO -0.16 0.50 0.26 0.22 -1.16 0.00 0.00 179.01 178.67 2k60 h ASP 95 N -0.88 0.09 0.00 1.42 3.58 -0.11 -1.59 116.42 118.95 2k60 h ASP 95 Ca -0.01 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.61 2k60 h ASP 95 Cb 0.62 0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.88 2k60 h ASP 95 CO 0.01 -0.07 -0.05 0.00 -2.88 0.00 0.00 179.24 176.25 2k60 n LEU 96 N -5.15 0.00 0.04 2.28 -0.00 -0.80 -4.64 117.00 108.73 2k60 n LEU 96 Ca 0.19 -0.07 0.11 0.00 -0.00 0.00 0.00 56.01 56.25 2k60 n LEU 96 Cb 0.60 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 44.04 2k60 n LEU 96 CO 0.10 0.00 -0.01 0.59 -0.00 0.00 0.00 177.39 178.07 2k60 n ASN 97 N -0.22 0.62 -2.33 1.45 5.03 -0.07 -4.83 115.26 114.92 2k60 n ASN 97 Ca 0.00 -0.04 -0.03 0.00 0.87 0.00 0.00 54.58 55.38 2k60 n ASN 97 Cb 0.00 0.74 -0.00 0.00 -1.02 0.00 0.00 39.78 39.49 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 -2.14 -1.75 0.00 3.10 4.11 0.19 -4.03 117.16 116.63 2k60 n TYR 98 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.91 2k60 n TYR 98 Cb 0.47 -1.39 0.00 0.00 -0.00 0.00 0.00 39.34 38.42 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 -2.53 -0.01 -3.77 -3.48 -0.00 -1.22 -5.00 115.22 99.22 2k60 n HIS 99 Ca -0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.56 2k60 n HIS 99 Cb 0.48 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.37 2k60 n HIS 99 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 2k60 s ASP 100 N 1.98 -0.27 0.00 0.26 2.15 -1.26 -4.77 116.67 114.77 2k60 s ASP 100 Ca 0.00 0.42 0.00 0.00 0.43 0.00 0.00 52.55 53.40 2k60 s ASP 100 Cb 0.00 0.52 0.00 0.00 -0.30 0.00 0.00 42.92 43.14 2k60 s ASP 100 CO 0.00 -0.23 0.00 -0.81 -0.17 0.00 0.00 175.17 173.96 2k60 n PRO 101 N 2.32 0.00 0.00 4.34 -0.04 -1.26 -4.73 135.00 135.63 2k60 n PRO 101 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2k60 n PRO 101 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 2k60 n PRO 101 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2k60 n THR 102 N 0.00 0.00 0.28 0.52 -1.04 -1.26 -4.34 114.28 108.44 2k60 n THR 102 Ca 0.00 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.84 2k60 n THR 102 Cb 0.00 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.43 2k60 n THR 102 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2k60 h VAL 103 N 0.00 0.27 -0.27 12.58 2.07 -1.98 0.12 116.25 129.05 2k60 h VAL 103 Ca 0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 2k60 h VAL 103 Cb 0.00 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 2k60 h VAL 103 CO 0.00 0.00 -0.17 0.11 0.02 0.00 0.00 177.57 177.53 2k60 h LYS 104 N -0.82 0.48 0.78 1.57 1.79 -1.93 0.23 116.57 118.67 2k60 h LYS 104 Ca -0.05 -0.15 -0.04 0.00 -2.18 0.00 0.00 60.65 58.23 2k60 h LYS 104 Cb 0.70 -0.04 0.01 0.00 -1.58 0.00 0.00 32.23 31.31 2k60 h LYS 104 CO 0.01 0.63 -0.37 0.45 -1.08 0.00 0.00 179.45 179.09 2k60 h HIS 105 N 0.43 -0.97 0.00 -1.35 3.86 -1.77 -0.69 115.15 114.66 2k60 h HIS 105 Ca 0.08 -0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.19 2k60 h HIS 105 Cb 0.55 0.32 -0.01 0.00 1.06 0.00 0.00 27.41 29.33 2k60 h HIS 105 CO 0.02 -0.59 -0.33 0.77 0.86 0.00 0.00 177.93 178.65 2k60 h SER 106 N -1.10 0.00 -0.16 2.45 0.02 -0.69 -1.50 113.55 112.58 2k60 h SER 106 Ca -0.11 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.69 2k60 h SER 106 Cb 0.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.36 2k60 h SER 106 CO 0.18 0.33 -0.49 0.74 -1.14 0.00 0.00 176.83 176.45 2k60 h THR 107 N 0.00 1.34 0.20 -2.27 2.02 -0.54 -2.61 112.91 111.05 2k60 h THR 107 Ca -0.00 -1.75 -0.01 0.00 0.77 0.00 0.00 66.41 65.42 2k60 h THR 107 Cb 1.11 2.01 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 2k60 h THR 107 CO 0.04 0.54 -0.09 0.15 0.37 0.00 0.00 175.52 176.53 2k60 h PHE 108 N 0.26 -0.24 0.04 3.16 3.57 -0.92 -3.41 116.94 119.40 2k60 h PHE 108 Ca -0.02 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 2k60 h PHE 108 Cb 1.11 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.93 2k60 h PHE 108 CO 0.10 -0.15 -0.02 0.45 -2.23 0.00 0.00 178.31 176.46 2k60 h HIS 109 N -0.81 -0.05 0.00 0.41 3.86 -1.44 -3.49 115.15 113.62 2k60 h HIS 109 Ca -0.03 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2k60 h HIS 109 Cb 0.20 0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.69 2k60 h HIS 109 CO 0.02 0.24 0.00 0.41 0.86 0.00 0.00 177.93 179.46 2k60 n GLY 110 N 1.54 2.26 0.80 2.45 0.00 -0.98 -4.54 105.19 106.72 2k60 n GLY 110 Ca -0.04 -0.73 0.09 0.00 0.00 0.00 0.00 46.02 45.35 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 2.02 -3.98 1.61 2.13 -1.26 -4.58 120.64 116.58 2k60 n GLU 111 Ca 0.00 -1.56 -0.10 0.00 0.66 0.00 0.00 57.16 56.16 2k60 n GLU 111 Cb 0.00 -1.40 -0.07 0.00 0.27 0.00 0.00 31.44 30.24 2k60 n GLU 111 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2k60 s ASP 112 N -1.30 0.05 -0.02 4.31 2.15 -1.26 -5.08 116.67 115.51 2k60 s ASP 112 Ca 0.33 -0.92 0.03 0.00 0.43 0.00 0.00 52.55 52.42 2k60 s ASP 112 Cb 0.18 0.44 0.05 0.00 -0.30 0.00 0.00 42.92 43.29 2k60 s ASP 112 CO 0.25 -0.90 0.90 0.29 -0.17 0.00 0.00 175.17 175.53 2k60 n LYS 113 N -0.23 1.66 -2.07 4.34 4.76 -1.26 -4.17 118.16 121.19 2k60 n LYS 113 Ca -0.06 -1.38 -0.33 0.00 -2.87 0.00 0.00 58.31 53.67 2k60 n LYS 113 Cb 0.63 -0.91 0.01 0.00 -1.84 0.00 0.00 35.03 32.92 2k60 n LYS 113 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2k60 s LEU 114 N -0.97 3.55 -0.24 -0.35 1.02 -1.26 -4.66 118.68 115.76 2k60 s LEU 114 Ca 0.05 1.91 0.01 0.00 0.02 0.00 0.00 54.13 56.13 2k60 s LEU 114 Cb 0.05 -4.55 0.06 0.00 0.02 0.00 0.00 46.19 41.77 2k60 s LEU 114 CO 0.01 -1.22 -0.07 -0.63 0.02 0.00 0.00 176.35 174.46 2k60 s ILE 115 N -2.30 1.72 -0.05 -0.59 -1.09 -0.46 -4.19 121.20 114.24 2k60 s ILE 115 Ca 0.66 -1.37 0.03 0.00 -2.23 0.00 0.00 60.65 57.74 2k60 s ILE 115 Cb -0.18 -1.95 -0.03 0.00 -1.58 0.00 0.00 42.46 38.72 2k60 s ILE 115 CO 0.35 -0.10 -0.12 -0.44 -1.23 0.00 0.00 174.94 173.40 2k60 s SER 116 N 1.30 4.19 0.26 3.58 0.01 -1.26 0.08 113.70 121.87 2k60 s SER 116 Ca -0.06 -0.15 -0.04 0.00 1.31 0.00 0.00 55.95 57.00 2k60 s SER 116 Cb -0.19 -0.94 0.32 0.00 0.21 0.00 0.00 66.02 65.42 2k60 s SER 116 CO -0.06 0.35 1.90 -0.37 0.41 0.00 0.00 173.24 175.47 2k60 h VAL 117 N 4.32 1.24 -0.13 3.43 -1.51 -1.50 0.00 116.25 122.11 2k60 h VAL 117 Ca -0.47 -0.55 -0.20 0.00 -1.23 0.00 0.00 66.70 64.25 2k60 h VAL 117 Cb 1.16 0.05 0.01 0.00 -2.13 0.00 0.00 31.29 30.38 2k60 h VAL 117 CO 0.51 0.26 -0.69 1.05 -1.23 0.00 0.00 177.57 177.47 2k60 h GLU 118 N 1.18 0.69 -0.05 5.19 4.11 -1.96 0.51 114.58 124.25 2k60 h GLU 118 Ca 0.30 -0.57 -0.12 0.00 0.07 0.00 0.00 59.36 59.04 2k60 h GLU 118 Cb -0.02 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2k60 h GLU 118 CO -0.05 1.19 -0.53 0.22 0.07 0.00 0.00 179.01 179.90 2k60 h ASP 119 N 0.38 0.16 -0.47 3.06 3.58 -1.89 -1.48 116.42 119.76 2k60 h ASP 119 Ca -0.05 -0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.27 2k60 h ASP 119 Cb 1.33 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 42.31 2k60 h ASP 119 CO 0.14 0.66 0.11 -0.07 -2.88 0.00 0.00 179.24 177.21 2k60 h LEU 120 N 0.12 0.71 -0.27 2.28 3.38 -0.91 0.91 115.31 121.53 2k60 h LEU 120 Ca 0.00 -0.23 0.06 0.00 0.09 0.00 0.00 57.88 57.80 2k60 h LEU 120 Cb 0.97 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.48 2k60 h LEU 120 CO 0.08 0.76 -0.10 -0.25 0.09 0.00 0.00 178.44 179.02 2k60 h TRP 121 N 0.63 -0.22 -0.43 1.13 7.01 -0.17 0.33 115.95 124.23 2k60 h TRP 121 Ca 0.15 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.15 2k60 h TRP 121 Cb 0.32 0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.50 2k60 h TRP 121 CO 0.02 -0.15 0.17 0.87 -2.79 0.00 0.00 178.44 176.56 2k60 h LYS 122 N -0.05 0.65 0.38 2.65 6.56 -1.10 -1.55 116.57 124.12 2k60 h LYS 122 Ca 0.14 -0.12 -0.02 0.00 -1.06 0.00 0.00 60.65 59.59 2k60 h LYS 122 Cb 0.25 -0.11 -0.00 0.00 -0.57 0.00 0.00 32.23 31.80 2k60 h LYS 122 CO -0.30 0.60 -0.21 0.00 -2.06 0.00 0.00 179.45 177.48 2k60 h ALA 123 N 1.02 -0.55 -0.61 3.86 0.00 -0.31 -2.15 119.26 120.52 2k60 h ALA 123 Ca 0.14 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.03 2k60 h ALA 123 Cb 0.19 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 2k60 h ALA 123 CO -0.01 -0.81 0.25 2.35 0.00 0.00 0.00 179.25 181.02 2k60 h TRP 124 N -0.55 0.43 -0.05 0.00 7.01 -0.32 0.39 115.95 122.85 2k60 h TRP 124 Ca -0.05 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.00 2k60 h TRP 124 Cb 0.44 -0.10 -0.00 0.00 -2.10 0.00 0.00 29.16 27.40 2k60 h TRP 124 CO -0.07 0.13 0.04 0.87 -2.79 0.00 0.00 178.44 176.62 2k60 h LYS 125 N 0.44 0.00 0.00 2.65 1.57 -1.09 -1.87 116.57 118.27 2k60 h LYS 125 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2k60 h LYS 125 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2k60 h LYS 125 CO -0.28 0.00 -1.21 0.45 -0.57 0.00 0.00 179.45 177.84 2k60 n SER 126 N -4.35 0.78 -4.90 0.86 2.88 -0.10 -4.78 113.62 104.01 2k60 n SER 126 Ca -0.02 -0.77 -0.29 0.00 -1.33 0.00 0.00 58.87 56.47 2k60 n SER 126 Cb 0.14 1.20 0.04 0.00 -0.75 0.00 0.00 64.21 64.84 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 -3.33 5.58 0.57 -3.46 0.01 0.12 -4.94 113.70 108.24 2k60 s SER 127 Ca 0.05 0.96 0.26 0.00 1.31 0.00 0.00 55.95 58.53 2k60 s SER 127 Cb 0.16 -1.88 1.57 0.00 0.21 0.00 0.00 66.02 66.08 2k60 s SER 127 CO 0.88 -1.17 2.11 -0.33 0.41 0.00 0.00 173.24 175.14 2k60 h GLU 128 N -0.40 0.00 0.23 12.44 5.08 -1.90 -2.93 114.58 127.11 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 1.25 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 2k60 h GLU 128 CO 0.62 0.00 -0.47 0.28 -1.00 0.00 0.00 179.01 178.44 2k60 h VAL 129 N 0.00 0.00 0.00 3.13 2.07 -1.90 -1.77 116.25 117.79 2k60 h VAL 129 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 2k60 h VAL 129 Cb 0.43 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2k60 h VAL 129 CO -0.00 0.00 0.00 0.22 0.02 0.00 0.00 177.57 177.81 2k60 h TYR 130 N -0.77 0.00 0.00 1.57 3.20 -1.51 -0.49 116.97 118.98 2k60 h TYR 130 Ca -0.02 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.85 2k60 h TYR 130 Cb 0.73 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.00 2k60 h TYR 130 CO -0.37 0.00 -0.38 0.09 -1.64 0.00 0.00 178.16 175.86 2k60 n ASN 131 N -2.38 0.76 -4.68 -2.11 3.02 -0.75 -4.57 115.26 104.56 2k60 n ASN 131 Ca 0.01 0.31 -0.42 0.00 -0.03 0.00 0.00 54.58 54.44 2k60 n ASN 131 Cb 0.20 -0.23 -0.03 0.00 -0.61 0.00 0.00 39.78 39.12 2k60 n ASN 131 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2k60 s TRP 132 N -3.14 3.07 0.39 3.10 0.51 -0.19 -4.96 118.94 117.72 2k60 s TRP 132 Ca 0.08 1.12 -0.06 0.00 -2.12 0.00 0.00 56.10 55.12 2k60 s TRP 132 Cb 0.13 -3.47 0.09 0.00 -0.81 0.00 0.00 33.47 29.41 2k60 s TRP 132 CO 0.67 -1.53 0.53 -2.37 -0.51 0.00 0.00 176.95 173.74 2k60 n THR 133 N 4.79 0.00 -0.05 2.01 5.66 -1.26 -0.77 114.28 124.66 2k60 n THR 133 Ca 0.12 -0.45 -0.10 0.00 -3.05 0.00 0.00 64.05 60.57 2k60 n THR 133 Cb 0.46 -1.69 -0.03 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 -1.17 1.05 -0.92 1.08 2.07 -1.94 -0.63 116.25 115.80 2k60 h VAL 134 Ca -0.17 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.26 2k60 h VAL 134 Cb 0.49 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 2k60 h VAL 134 CO 0.13 0.05 0.60 -0.78 0.02 0.00 0.00 177.57 177.59 2k60 h ASP 135 N 0.28 1.06 -0.02 0.57 3.58 -1.94 0.54 116.42 120.50 2k60 h ASP 135 Ca 0.08 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 2k60 h ASP 135 Cb -0.03 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 40.76 2k60 h ASP 135 CO -0.02 0.77 -0.01 -0.33 -2.88 0.00 0.00 179.24 176.77 2k60 h GLU 136 N 1.25 0.03 -0.30 0.28 4.39 -1.79 -1.51 114.58 116.92 2k60 h GLU 136 Ca 0.34 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.95 2k60 h GLU 136 Cb -0.14 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 2k60 h GLU 136 CO -0.07 0.42 -0.12 -0.24 -1.16 0.00 0.00 179.01 177.84 2k60 h VAL 137 N -0.36 1.23 0.07 3.13 3.04 -0.87 -0.45 116.25 122.04 2k60 h VAL 137 Ca 0.00 -1.00 -0.00 0.00 -1.01 0.00 0.00 66.70 64.69 2k60 h VAL 137 Cb 0.41 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 2k60 h VAL 137 CO 0.00 0.33 -0.04 0.58 -1.01 0.00 0.00 177.57 177.44 2k60 h VAL 138 N 0.47 0.95 -0.02 1.51 2.07 -0.75 0.43 116.25 120.90 2k60 h VAL 138 Ca 0.09 -0.07 -0.11 0.00 0.82 0.00 0.00 66.70 67.43 2k60 h VAL 138 Cb 0.48 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2k60 h VAL 138 CO 0.03 0.02 -0.50 0.06 0.02 0.00 0.00 177.57 177.20 2k60 h GLN 139 N -0.13 0.05 -0.03 1.57 3.07 -1.02 -1.52 115.11 117.09 2k60 h GLN 139 Ca -0.01 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.69 2k60 h GLN 139 Cb 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.67 2k60 h GLN 139 CO 0.02 0.54 -0.03 2.35 0.09 0.00 0.00 178.83 181.80 2k60 h TRP 140 N 0.04 0.09 -0.53 0.06 2.91 -0.70 -0.45 115.95 117.36 2k60 h TRP 140 Ca -0.00 -0.02 -0.00 0.00 1.13 0.00 0.00 58.89 59.99 2k60 h TRP 140 Cb 0.90 -0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 29.51 2k60 h TRP 140 CO 0.00 0.52 0.33 1.37 -1.03 0.00 0.00 178.44 179.63 2k60 h LEU 141 N -0.37 0.64 -0.24 0.65 8.10 -0.00 0.37 115.31 124.46 2k60 h LEU 141 Ca 0.01 -0.05 -0.10 0.00 0.11 0.00 0.00 57.88 57.85 2k60 h LEU 141 Cb 0.50 -0.16 -0.00 0.00 -0.44 0.00 0.00 40.66 40.56 2k60 h LEU 141 CO 0.01 0.50 -0.24 0.16 -4.11 0.00 0.00 178.44 174.75 2k60 h ILE 142 N 0.72 1.32 0.00 0.15 3.07 -1.23 0.57 117.51 122.10 2k60 h ILE 142 Ca 0.19 -1.41 -0.01 0.00 1.55 0.00 0.00 64.86 65.19 2k60 h ILE 142 Cb -0.03 1.69 -0.00 0.00 -0.27 0.00 0.00 36.82 38.21 2k60 h ILE 142 CO -0.04 0.44 -0.03 0.00 -1.05 0.00 0.00 178.15 177.47 2k60 h THR 143 N 0.29 0.10 0.00 0.16 1.03 -0.79 -0.13 112.91 113.56 2k60 h THR 143 Ca 0.04 -0.53 -0.09 0.00 -0.01 0.00 0.00 66.41 65.82 2k60 h THR 143 Cb 0.80 1.48 -0.01 0.00 -1.07 0.00 0.00 68.15 69.35 2k60 h THR 143 CO 0.06 0.03 -1.13 -1.22 -0.01 0.00 0.00 175.52 173.26 2k60 n TYR 144 N -3.16 0.00 0.59 0.00 4.01 0.10 -4.70 117.16 114.00 2k60 n TYR 144 Ca 0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.86 2k60 n TYR 144 Cb 0.29 -0.49 0.11 0.00 -0.31 0.00 0.00 39.34 38.94 2k60 n TYR 144 CO 0.00 0.00 0.00 1.55 -0.46 0.00 0.00 176.86 177.95 2k60 n VAL 145 N -4.21 0.26 -2.90 -0.72 3.14 0.20 -4.95 118.33 109.15 2k60 n VAL 145 Ca -0.19 -0.25 -0.17 0.00 -2.96 0.00 0.00 64.34 60.77 2k60 n VAL 145 Cb 0.51 0.04 0.03 0.00 -1.06 0.00 0.00 33.84 33.36 2k60 n VAL 145 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2k60 n GLU 146 N -2.02 -4.03 -3.07 1.45 1.02 -0.06 -4.97 120.64 108.96 2k60 n GLU 146 Ca 0.03 0.68 -0.44 0.00 -0.02 0.00 0.00 57.16 57.41 2k60 n GLU 146 Cb 0.43 -5.09 -0.05 0.00 -0.02 0.00 0.00 31.44 26.71 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 -5.25 4.95 -0.01 -4.62 2.01 -1.26 -4.92 118.68 109.58 2k60 s LEU 147 Ca 0.26 -1.05 0.03 0.00 0.01 0.00 0.00 54.13 53.38 2k60 s LEU 147 Cb -0.11 -2.43 0.12 0.00 0.01 0.00 0.00 46.19 43.78 2k60 s LEU 147 CO 0.32 -1.08 0.97 -0.81 1.01 0.00 0.00 176.35 176.75 2k60 n PRO 148 N 6.58 1.43 -0.08 1.29 -0.04 -1.26 -3.41 135.00 139.51 2k60 n PRO 148 Ca -0.06 -0.49 0.06 0.00 -0.04 0.00 0.00 63.50 62.97 2k60 n PRO 148 Cb 0.45 -1.28 0.24 0.00 -0.04 0.00 0.00 33.50 32.87 2k60 n PRO 148 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2k60 n GLN 149 N -0.05 1.44 -0.29 0.54 -0.06 -1.26 -4.45 117.38 113.26 2k60 n GLN 149 Ca 0.04 -0.68 0.02 0.00 -2.00 0.00 0.00 57.00 54.39 2k60 n GLN 149 Cb 0.21 -1.24 0.16 0.00 -4.06 0.00 0.00 30.24 25.31 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 1.21 0.84 0.63 3.69 -0.00 -1.95 0.88 116.97 122.27 2k60 h TYR 150 Ca 0.00 0.03 -0.03 0.00 -0.00 0.00 0.00 58.73 58.73 2k60 h TYR 150 Cb 0.27 -0.26 0.01 0.00 -0.00 0.00 0.00 36.73 36.75 2k60 h TYR 150 CO 0.10 0.35 -0.30 1.49 -0.00 0.00 0.00 178.16 179.80 2k60 h GLU 151 N 0.79 -0.82 -0.13 0.10 4.57 -1.92 0.27 114.58 117.43 2k60 h GLU 151 Ca 0.38 0.06 0.04 0.00 -1.18 0.00 0.00 59.36 58.67 2k60 h GLU 151 Cb 0.33 0.19 -0.05 0.00 -0.16 0.00 0.00 28.75 29.06 2k60 h GLU 151 CO -0.24 -0.53 -0.19 0.93 -1.18 0.00 0.00 179.01 177.81 2k60 h GLU 152 N -0.89 -0.22 -0.15 1.92 3.07 -1.77 -0.90 114.58 115.65 2k60 h GLU 152 Ca -0.09 0.02 -0.18 0.00 -0.50 0.00 0.00 59.36 58.61 2k60 h GLU 152 Cb 0.66 0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.62 2k60 h GLU 152 CO 0.14 -0.15 -0.65 0.00 -1.40 0.00 0.00 179.01 176.96 2k60 h THR 153 N -0.23 1.33 -0.10 1.13 1.03 -0.72 -0.52 112.91 114.84 2k60 h THR 153 Ca 0.10 -1.94 -0.14 0.00 -0.01 0.00 0.00 66.41 64.42 2k60 h THR 153 Cb 0.38 1.92 -0.01 0.00 -1.07 0.00 0.00 68.15 69.36 2k60 h THR 153 CO -0.27 0.60 -0.54 2.19 -0.01 0.00 0.00 175.52 177.49 2k60 h PHE 154 N 0.40 0.37 0.00 0.00 -5.15 -0.24 -0.15 116.94 112.17 2k60 h PHE 154 Ca -0.01 -0.13 -0.12 0.00 -0.20 0.00 0.00 57.97 57.51 2k60 h PHE 154 Cb 1.22 -0.07 -0.02 0.00 0.22 0.00 0.00 35.95 37.30 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 0.23 0.00 0.03 6.09 0.11 -0.98 0.17 114.38 120.03 2k60 h ARG 155 Ca 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 2k60 h ARG 155 Cb 1.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.10 2k60 h ARG 155 CO 0.09 0.57 -0.02 0.87 0.10 0.00 0.00 179.97 181.58 2k60 h LYS 156 N 0.00 -0.04 0.00 0.08 1.79 -0.58 -3.40 116.57 114.41 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 1.13 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 2k60 h LYS 156 CO 0.07 0.59 0.00 1.47 -1.08 0.00 0.00 179.45 180.50 2k60 n LEU 157 N -4.79 0.30 -2.98 2.94 -0.00 -0.11 -5.06 117.00 107.29 2k60 n LEU 157 Ca -0.09 -0.64 -0.13 0.00 -0.00 0.00 0.00 56.01 55.15 2k60 n LEU 157 Cb 0.32 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.76 2k60 n LEU 157 CO 0.32 0.08 -0.08 0.00 -0.00 0.00 0.00 177.39 177.70 2k60 n GLN 158 N -0.68 -2.35 -2.33 1.47 6.02 0.59 -4.98 117.38 115.12 2k60 n GLN 158 Ca 0.00 2.02 -0.30 0.00 -0.01 0.00 0.00 57.00 58.71 2k60 n GLN 158 Cb 0.00 -4.80 -0.01 0.00 1.02 0.00 0.00 30.24 26.45 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 -2.44 3.50 0.00 1.08 2.34 -1.26 -4.89 118.68 117.01 2k60 s LEU 159 Ca 0.25 1.23 0.00 0.00 0.06 0.00 0.00 54.13 55.67 2k60 s LEU 159 Cb -0.06 -4.21 0.00 0.00 -0.56 0.00 0.00 46.19 41.36 2k60 s LEU 159 CO 0.77 -0.67 0.00 -1.54 -1.06 0.00 0.00 176.35 173.85 2k60 n SER 160 N -2.23 0.00 0.28 1.48 3.41 -1.26 -3.47 113.62 111.84 2k60 n SER 160 Ca 0.04 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.81 2k60 n SER 160 Cb 0.54 0.00 0.83 0.00 -0.26 0.00 0.00 64.21 65.33 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 1.62 5.00 0.00 -1.02 0.27 103.07 108.94 2k60 h GLY 161 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 2k60 h GLY 161 CO 0.00 0.00 -1.26 0.84 0.00 0.00 0.00 176.54 176.12 2k60 h HIS 162 N 0.00 0.08 0.00 5.60 -0.00 -1.83 -3.27 115.15 115.72 2k60 h HIS 162 Ca -0.00 -0.06 -0.10 0.00 -0.00 0.00 0.00 60.37 60.22 2k60 h HIS 162 Cb 0.30 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.69 2k60 h HIS 162 CO 0.00 1.06 -0.46 0.00 -0.00 0.00 0.00 177.93 178.53 2k60 h ALA 163 N 0.92 0.79 -0.30 5.26 0.00 -1.52 -2.36 119.26 122.05 2k60 h ALA 163 Ca -0.12 -0.42 0.06 0.00 0.00 0.00 0.00 54.91 54.44 2k60 h ALA 163 Cb 1.87 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 19.51 2k60 h ALA 163 CO 0.12 0.57 -0.40 0.52 0.00 0.00 0.00 179.25 180.07 2k60 h MET 164 N 0.00 -0.36 -0.42 0.00 2.86 -0.58 0.54 114.93 116.97 2k60 h MET 164 Ca -0.00 0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.55 2k60 h MET 164 Cb 1.19 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.92 2k60 h MET 164 CO 0.06 -0.24 -0.16 -1.00 1.06 0.00 0.00 176.91 176.63 2k60 h PRO 165 N -0.37 0.85 -0.01 -0.22 0.13 -1.72 -2.36 132.00 128.30 2k60 h PRO 165 Ca 0.12 -0.35 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2k60 h PRO 165 Cb 0.59 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.68 2k60 h PRO 165 CO -0.49 0.99 0.02 0.07 -0.23 0.00 0.00 178.00 178.36 2k60 h ARG 166 N 0.67 0.00 0.00 0.86 -0.00 -0.78 -1.39 114.38 113.74 2k60 h ARG 166 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.08 2k60 h ARG 166 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.68 2k60 h ARG 166 CO 0.05 0.00 -0.87 1.47 -0.00 0.00 0.00 179.97 180.62 2k60 n LEU 167 N -3.54 0.76 0.00 0.08 -0.00 0.18 -4.16 117.00 110.33 2k60 n LEU 167 Ca -0.03 -0.27 0.13 0.00 -0.00 0.00 0.00 56.01 55.85 2k60 n LEU 167 Cb 0.10 -0.09 0.74 0.00 -0.00 0.00 0.00 43.42 44.17 2k60 n LEU 167 CO 0.24 0.18 0.96 0.00 -0.00 0.00 0.00 177.39 178.77 2k60 n ALA 168 N -1.56 2.43 -4.09 1.47 0.00 -0.52 -4.63 120.51 113.60 2k60 n ALA 168 Ca 0.04 -0.15 -0.32 0.00 0.00 0.00 0.00 53.44 53.01 2k60 n ALA 168 Cb 0.35 -1.43 -0.16 0.00 0.00 0.00 0.00 19.45 18.21 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 -2.21 1.95 0.11 0.00 0.11 -1.25 -4.39 120.40 114.72 2k60 s VAL 169 Ca 0.35 -0.93 0.00 0.00 -2.93 0.00 0.00 61.98 58.46 2k60 s VAL 169 Cb 0.18 -1.81 0.00 0.00 -1.53 0.00 0.00 36.38 33.22 2k60 s VAL 169 CO 0.34 0.47 0.00 0.35 -3.33 0.00 0.00 175.10 172.93 2k60 n THR 170 N 4.64 0.00 -0.11 5.04 -2.24 -1.26 -4.28 114.28 116.07 2k60 n THR 170 Ca -0.19 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.47 2k60 n THR 170 Cb 0.49 -0.16 -0.14 0.00 -2.10 0.00 0.00 70.33 68.42 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 -3.84 0.71 -0.15 3.42 0.23 -1.26 -4.46 115.26 109.90 2k60 n ASN 171 Ca 0.00 -0.04 -0.04 0.00 -0.53 0.00 0.00 54.58 53.98 2k60 n ASN 171 Cb 0.21 0.59 0.05 0.00 -2.08 0.00 0.00 39.78 38.55 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 0.85 -0.14 5.53 2.02 -1.92 0.17 112.91 119.42 2k60 h THR 172 Ca -0.54 -0.12 0.02 0.00 0.77 0.00 0.00 66.41 66.54 2k60 h THR 172 Cb 2.11 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.98 2k60 h THR 172 CO -0.00 0.06 0.03 0.74 0.37 0.00 0.00 175.52 176.72 2k60 h THR 173 N 0.35 0.94 0.00 3.16 2.02 -1.81 -3.34 112.91 114.22 2k60 h THR 173 Ca 0.22 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.37 2k60 h THR 173 Cb 0.22 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 67.47 2k60 h THR 173 CO -0.23 0.02 -0.00 -0.03 0.37 0.00 0.00 175.52 175.65 2k60 h MET 174 N 0.10 0.00 -6.54 6.66 1.85 -1.56 -3.47 114.93 111.96 2k60 h MET 174 Ca 0.06 0.00 -0.54 0.00 -0.61 0.00 0.00 59.70 58.62 2k60 h MET 174 Cb 0.05 0.00 0.05 0.00 0.43 0.00 0.00 31.60 32.13 2k60 h MET 174 CO -0.08 0.74 1.04 -2.37 -0.40 0.00 0.00 176.91 175.84 2k60 n THR 175 N -4.65 0.22 -0.89 -0.77 5.66 0.54 -4.87 114.28 109.52 2k60 n THR 175 Ca -0.07 -0.04 0.08 0.00 -3.05 0.00 0.00 64.05 60.97 2k60 n THR 175 Cb 0.36 -2.00 0.12 0.00 -1.55 0.00 0.00 70.33 67.26 2k60 n THR 175 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k60 n GLY 176 N 4.07 4.53 0.00 1.09 0.00 -1.26 -4.89 105.19 108.72 2k60 n GLY 176 Ca 0.17 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.23 0.00 0.00 2.61 -1.04 -1.26 -4.95 114.28 108.42 2k60 n THR 177 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 2k60 n THR 177 Cb 0.59 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.10 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 -0.97 0.00 0.00 12.58 3.14 -1.26 -5.06 118.33 126.76 2k60 n VAL 178 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2k60 n VAL 178 Cb 0.00 -0.25 0.00 0.00 -1.06 0.00 0.00 33.84 32.53 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 -2.50 0.00 -3.13 6.55 4.32 -1.26 -3.38 117.00 117.59 2k60 n LEU 179 Ca 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 56.01 56.03 2k60 n LEU 179 Cb 0.00 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2k60 n LEU 179 CO 0.00 0.00 0.23 -0.75 -1.22 0.00 0.00 177.39 175.65 2k60 s LYS 180 N 0.00 0.48 0.00 3.23 2.47 -1.26 -4.92 119.74 119.74 2k60 s LYS 180 Ca 0.00 0.25 0.24 0.00 -1.56 0.00 0.00 55.97 54.90 2k60 s LYS 180 Cb 0.00 0.16 1.23 0.00 -1.46 0.00 0.00 37.83 37.75 2k60 s LYS 180 CO 0.00 -0.82 1.79 0.00 0.16 0.00 0.00 175.35 176.48 2k60 n MET 181 N 5.01 0.38 -2.30 4.03 0.00 -1.22 -4.54 117.12 118.48 2k60 n MET 181 Ca 0.07 0.06 -0.41 0.00 0.00 0.00 0.00 57.70 57.42 2k60 n MET 181 Cb 0.56 -1.50 -0.03 0.00 0.00 0.00 0.00 33.22 32.26 2k60 n MET 181 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 2k60 s THR 182 N -2.51 3.67 0.25 3.17 2.01 -1.26 -4.84 115.64 116.12 2k60 s THR 182 Ca 0.24 0.54 -0.02 0.00 0.31 0.00 0.00 61.69 62.75 2k60 s THR 182 Cb 0.16 -4.31 0.23 0.00 0.01 0.00 0.00 72.50 68.58 2k60 s THR 182 CO 0.35 -1.12 1.76 -0.78 -0.69 0.00 0.00 174.62 174.15 2k60 h ASP 183 N 11.91 0.50 -0.04 3.53 3.58 -1.98 0.16 116.42 134.08 2k60 h ASP 183 Ca -0.27 0.09 -0.05 0.00 0.42 0.00 0.00 57.03 57.22 2k60 h ASP 183 Cb 1.11 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.17 2k60 h ASP 183 CO 1.18 0.23 -0.16 0.08 -2.88 0.00 0.00 179.24 177.68 2k60 h ARG 184 N 0.61 0.17 -0.56 0.28 -0.00 -1.94 -0.91 114.38 112.04 2k60 h ARG 184 Ca 0.44 -0.14 -0.10 0.00 -0.00 0.00 0.00 59.98 60.18 2k60 h ARG 184 Cb 0.59 0.03 -0.02 0.00 -0.00 0.00 0.00 29.97 30.57 2k60 h ARG 184 CO -0.35 0.79 -0.05 1.03 -0.00 0.00 0.00 179.97 181.39 2k60 h SER 185 N -0.40 1.01 0.05 0.08 0.87 -1.82 0.13 113.55 113.46 2k60 h SER 185 Ca -0.01 -0.33 -0.00 0.00 -1.23 0.00 0.00 61.79 60.22 2k60 h SER 185 Cb 0.82 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 2k60 h SER 185 CO 0.03 1.10 -0.02 -0.74 -0.53 0.00 0.00 176.83 176.67 2k60 h HIS 186 N 0.90 -0.06 -0.48 2.24 -0.00 -0.74 -1.22 115.15 115.80 2k60 h HIS 186 Ca 0.15 -0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.46 2k60 h HIS 186 Cb 0.61 0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 28.02 2k60 h HIS 186 CO 0.04 0.12 0.05 0.07 -0.00 0.00 0.00 177.93 178.21 2k60 h ARG 187 N -0.23 0.75 -0.24 5.26 0.11 -0.90 -0.09 114.38 119.04 2k60 h ARG 187 Ca -0.01 -0.18 -0.02 0.00 0.10 0.00 0.00 59.98 59.87 2k60 h ARG 187 Cb 0.21 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 31.18 2k60 h ARG 187 CO 0.01 0.73 0.05 1.96 0.10 0.00 0.00 179.97 182.83 2k60 h GLN 188 N 0.72 0.38 -0.10 0.08 1.08 -0.44 0.46 115.11 117.28 2k60 h GLN 188 Ca 0.15 -0.09 -0.06 0.00 -1.45 0.00 0.00 58.65 57.20 2k60 h GLN 188 Cb 0.37 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.75 2k60 h GLN 188 CO 0.01 0.49 -0.17 0.87 -0.95 0.00 0.00 178.83 179.09 2k60 h LYS 189 N 0.21 0.29 -0.39 1.46 6.56 -0.97 -1.36 116.57 122.37 2k60 h LYS 189 Ca 0.07 -0.18 -0.11 0.00 -1.06 0.00 0.00 60.65 59.37 2k60 h LYS 189 Cb 0.29 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.95 2k60 h LYS 189 CO 0.00 0.76 -0.21 -0.07 -2.06 0.00 0.00 179.45 177.87 2k60 h LEU 190 N -0.15 0.78 -0.71 2.94 -0.00 -1.02 -1.85 115.31 115.30 2k60 h LEU 190 Ca 0.01 -0.27 -0.11 0.00 -0.00 0.00 0.00 57.88 57.51 2k60 h LEU 190 Cb 0.74 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 41.17 2k60 h LEU 190 CO 0.04 0.97 -0.15 0.06 -0.00 0.00 0.00 178.44 179.36 2k60 h GLN 191 N 0.67 0.85 0.10 1.13 3.07 -0.03 0.51 115.11 121.40 2k60 h GLN 191 Ca 0.10 -0.31 0.01 0.00 0.09 0.00 0.00 58.65 58.54 2k60 h GLN 191 Cb 0.71 -0.06 -0.02 0.00 0.08 0.00 0.00 27.48 28.19 2k60 h GLN 191 CO 0.05 0.94 -0.16 -0.07 0.09 0.00 0.00 178.83 179.68 2k60 h LEU 192 N 0.75 -0.44 0.09 0.06 -0.00 -0.85 0.31 115.31 115.23 2k60 h LEU 192 Ca 0.12 0.05 -0.00 0.00 -0.00 0.00 0.00 57.88 58.04 2k60 h LEU 192 Cb 0.66 0.17 0.00 0.00 -0.00 0.00 0.00 40.66 41.49 2k60 h LEU 192 CO 0.05 -0.23 -0.04 0.11 -0.00 0.00 0.00 178.44 178.32 2k60 h LYS 193 N -0.31 -0.11 -0.21 1.13 6.56 -1.14 -1.96 116.57 120.52 2k60 h LYS 193 Ca 0.02 0.01 -0.14 0.00 -1.06 0.00 0.00 60.65 59.48 2k60 h LYS 193 Cb 0.33 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.02 2k60 h LYS 193 CO -0.09 0.38 -0.42 0.00 -2.06 0.00 0.00 179.45 177.27 2k60 h ALA 194 N 0.10 0.34 -0.20 3.86 0.00 0.02 -0.70 119.26 122.68 2k60 h ALA 194 Ca -0.01 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.30 2k60 h ALA 194 Cb 0.55 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2k60 h ALA 194 CO 0.02 0.45 -0.39 1.25 0.00 0.00 0.00 179.25 180.58 2k60 h LEU 195 N 0.35 0.70 -1.62 0.00 5.85 -0.48 0.37 115.31 120.49 2k60 h LEU 195 Ca 0.01 -0.54 -0.03 0.00 0.84 0.00 0.00 57.88 58.15 2k60 h LEU 195 Cb 1.02 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 2k60 h LEU 195 CO 0.09 1.11 -0.10 -0.78 -0.34 0.00 0.00 178.44 178.42 2k60 h ASP 196 N 0.31 0.11 0.12 1.25 3.58 -1.33 -0.77 116.42 119.69 2k60 h ASP 196 Ca 0.01 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2k60 h ASP 196 Cb 0.99 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.01 2k60 h ASP 196 CO 0.09 0.23 -0.06 0.74 -2.88 0.00 0.00 179.24 177.36 2k60 h THR 197 N 0.12 1.04 0.00 2.25 2.02 -0.68 0.22 112.91 117.88 2k60 h THR 197 Ca 0.03 -1.16 -0.03 0.00 0.77 0.00 0.00 66.41 66.01 2k60 h THR 197 Cb 0.26 1.71 -0.00 0.00 -1.74 0.00 0.00 68.15 68.38 2k60 h THR 197 CO 0.01 0.26 -0.16 -0.37 0.37 0.00 0.00 175.52 175.63 2k60 h VAL 198 N -0.76 0.86 0.00 3.16 -1.51 -0.06 -1.49 116.25 116.46 2k60 h VAL 198 Ca -0.02 -0.60 -0.09 0.00 -1.23 0.00 0.00 66.70 64.76 2k60 h VAL 198 Cb 0.54 1.35 -0.01 0.00 -2.13 0.00 0.00 31.29 31.04 2k60 h VAL 198 CO 0.03 0.16 -0.53 -0.07 -1.23 0.00 0.00 177.57 175.93 2k60 h LEU 199 N 0.00 0.00 0.00 4.19 3.38 -1.20 -3.40 115.31 118.28 2k60 h LEU 199 Ca -0.00 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.33 2k60 h LEU 199 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2k60 h LEU 199 CO 0.02 1.13 -0.07 0.33 0.09 0.00 0.00 178.44 179.94 2k60 n PHE 200 N -4.56 0.00 -0.72 1.13 7.35 0.62 -4.94 117.46 116.34 2k60 n PHE 200 Ca -0.17 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.52 2k60 n PHE 200 Cb 0.50 -0.03 0.00 0.00 0.35 0.00 0.00 39.48 40.29 2k60 n PHE 200 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41