#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 6.35 0.63 1.61 0.01 -1.26 -4.82 113.70 116.21 2k60 s SER -4 Ca 0.00 2.98 0.39 0.00 1.31 0.00 0.00 55.95 60.63 2k60 s SER -4 Cb 0.00 -2.64 2.11 0.00 0.21 0.00 0.00 66.02 65.70 2k60 s SER -4 CO 0.00 -0.93 2.29 0.45 0.41 0.00 0.00 173.24 175.46 2k60 h HIS -3 N 4.77 0.00 -1.02 2.43 -0.00 -2.02 -1.46 115.15 117.85 2k60 h HIS -3 Ca -0.47 0.00 0.26 0.00 -0.00 0.00 0.00 60.37 60.16 2k60 h HIS -3 Cb 1.22 0.00 -0.08 0.00 -0.00 0.00 0.00 27.41 28.55 2k60 h HIS -3 CO 0.58 0.01 0.68 1.98 -0.00 0.00 0.00 177.93 181.18 2k60 h MET -2 N 0.00 0.31 -1.12 2.45 1.85 -2.04 -3.33 114.93 113.05 2k60 h MET -2 Ca -0.00 -0.02 -0.09 0.00 -0.61 0.00 0.00 59.70 58.98 2k60 h MET -2 Cb 0.08 -0.07 -0.21 0.00 0.43 0.00 0.00 31.60 31.83 2k60 h MET -2 CO 0.00 0.21 -0.48 0.00 -0.40 0.00 0.00 176.91 176.24 2k60 s ALA -1 N -5.37 -2.14 -0.14 0.39 0.00 -0.56 -5.14 121.76 108.79 2k60 s ALA -1 Ca -0.08 0.11 -0.00 0.00 0.00 0.00 0.00 51.96 51.99 2k60 s ALA -1 Cb 0.24 -2.65 -0.01 0.00 0.00 0.00 0.00 23.12 20.70 2k60 s ALA -1 CO 0.79 -2.19 -0.13 -1.54 0.00 0.00 0.00 175.76 172.69 2k60 s SER 0 N 1.84 3.93 0.28 0.00 1.04 -1.14 -4.44 113.70 115.20 2k60 s SER 0 Ca 0.16 -0.37 0.17 0.00 0.48 0.00 0.00 55.95 56.39 2k60 s SER 0 Cb -0.06 -1.61 0.09 0.00 0.10 0.00 0.00 66.02 64.55 2k60 s SER 0 CO -0.07 0.13 1.36 0.28 0.98 0.00 0.00 173.24 175.92 2k60 h SER 58 N 6.97 0.00 -1.30 7.02 0.02 -1.91 -3.39 113.55 120.97 2k60 h SER 58 Ca -0.29 0.00 -0.71 0.00 -0.84 0.00 0.00 61.79 59.95 2k60 h SER 58 Cb 1.20 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.62 2k60 h SER 58 CO 0.56 0.37 1.99 -1.84 -1.14 0.00 0.00 176.83 176.77 2k60 n GLU 59 N -3.11 3.27 0.00 3.45 0.00 -1.26 -4.76 120.64 118.22 2k60 n GLU 59 Ca 0.01 -3.44 0.00 0.00 0.00 0.00 0.00 57.16 53.73 2k60 n GLU 59 Cb 0.69 -3.24 0.00 0.00 0.00 0.00 0.00 31.44 28.90 2k60 n GLU 59 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2k60 n ASP 60 N 6.57 0.00 -4.65 -1.84 2.03 -1.26 -5.04 116.55 112.37 2k60 n ASP 60 Ca 0.44 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 55.37 2k60 n ASP 60 Cb 0.43 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.74 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 -2.00 4.08 -0.13 -0.67 0.41 -1.26 -5.06 118.70 114.06 2k60 s GLU 61 Ca 0.00 -0.10 -0.05 0.00 -0.41 0.00 0.00 54.97 54.41 2k60 s GLU 61 Cb 0.00 -3.57 -0.04 0.00 -1.78 0.00 0.00 34.13 28.75 2k60 s GLU 61 CO 0.00 -0.03 0.05 0.15 -0.49 0.00 0.00 175.26 174.94 2k60 s LYS 62 N 1.33 3.48 1.06 1.61 3.01 -1.26 -5.07 119.74 123.90 2k60 s LYS 62 Ca 0.12 -0.33 -0.17 0.00 -1.01 0.00 0.00 55.97 54.57 2k60 s LYS 62 Cb -0.14 -3.03 0.23 0.00 -1.01 0.00 0.00 37.83 33.88 2k60 s LYS 62 CO 0.07 0.54 1.22 -1.17 0.51 0.00 0.00 175.35 176.52 2k60 s LEU 63 N -0.40 1.80 0.07 3.17 2.96 -1.26 -4.76 118.68 120.27 2k60 s LEU 63 Ca 0.09 0.45 -0.25 0.00 -0.22 0.00 0.00 54.13 54.21 2k60 s LEU 63 Cb -0.12 -2.37 -0.16 0.00 0.50 0.00 0.00 46.19 44.03 2k60 s LEU 63 CO 0.02 -3.33 1.66 0.77 -1.32 0.00 0.00 176.35 174.15 2k60 h SER 64 N -2.05 -0.13 -0.32 3.68 4.64 -1.99 -0.61 113.55 116.78 2k60 h SER 64 Ca -0.45 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 60.80 2k60 h SER 64 Cb 1.26 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 2k60 h SER 64 CO 0.37 -0.04 0.11 0.15 -0.87 0.00 0.00 176.83 176.56 2k60 h PHE 65 N -0.21 0.51 -0.22 4.77 3.57 -1.98 0.31 116.94 123.69 2k60 h PHE 65 Ca -0.02 -0.05 -0.13 0.00 3.53 0.00 0.00 57.97 61.31 2k60 h PHE 65 Cb 0.17 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 2k60 h PHE 65 CO -0.05 0.51 -0.40 1.05 -2.23 0.00 0.00 178.31 177.18 2k60 h GLU 66 N 0.37 0.51 -0.11 1.11 4.11 -1.91 0.21 114.58 118.86 2k60 h GLU 66 Ca 0.11 -0.25 -0.01 0.00 0.07 0.00 0.00 59.36 59.27 2k60 h GLU 66 Cb 0.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 2k60 h GLU 66 CO -0.00 0.83 0.02 0.00 0.07 0.00 0.00 179.01 179.92 2k60 h ALA 67 N 1.15 0.14 -0.10 1.06 0.00 -0.86 -0.40 119.26 120.25 2k60 h ALA 67 Ca 0.04 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.84 2k60 h ALA 67 Cb 0.88 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 2k60 h ALA 67 CO 0.08 -0.21 -0.20 0.28 0.00 0.00 0.00 179.25 179.20 2k60 h VAL 68 N -0.05 0.51 0.00 0.00 2.07 -0.69 -0.56 116.25 117.53 2k60 h VAL 68 Ca 0.03 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 2k60 h VAL 68 Cb 0.28 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2k60 h VAL 68 CO 0.00 0.00 -0.15 0.08 0.02 0.00 0.00 177.57 177.52 2k60 h ARG 69 N -0.26 0.00 0.18 1.57 0.11 -0.50 -1.36 114.38 114.12 2k60 h ARG 69 Ca 0.09 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.16 2k60 h ARG 69 Cb 0.39 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.47 2k60 h ARG 69 CO -0.25 0.15 -0.09 -0.97 0.10 0.00 0.00 179.97 178.91 2k60 h ASN 70 N 0.00 -0.20 0.37 0.08 -0.00 0.46 0.29 115.58 116.58 2k60 h ASN 70 Ca -0.00 -0.18 -0.08 0.00 -0.00 0.00 0.00 56.30 56.03 2k60 h ASN 70 Cb 0.29 0.05 -0.01 0.00 -0.00 0.00 0.00 38.32 38.65 2k60 h ASN 70 CO 0.02 0.07 -0.39 0.40 -0.00 0.00 0.00 177.43 177.53 2k60 h ILE 71 N -0.49 1.28 -0.14 2.57 5.03 -0.78 -1.24 117.51 123.74 2k60 h ILE 71 Ca -0.02 -1.36 -0.15 0.00 -0.12 0.00 0.00 64.86 63.21 2k60 h ILE 71 Cb 0.38 1.72 -0.01 0.00 -3.03 0.00 0.00 36.82 35.87 2k60 h ILE 71 CO 0.04 0.39 -0.55 0.45 -0.68 0.00 0.00 178.15 177.80 2k60 h HIS 72 N 0.02 0.51 0.00 1.37 3.86 -1.16 -2.93 115.15 116.83 2k60 h HIS 72 Ca -0.00 -0.18 -0.03 0.00 -1.16 0.00 0.00 60.37 59.00 2k60 h HIS 72 Cb 0.70 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 29.07 2k60 h HIS 72 CO 0.00 0.87 -0.12 1.57 0.86 0.00 0.00 177.93 181.10 2k60 h LYS 73 N 0.32 0.00 -0.97 2.45 5.09 0.68 -2.26 116.57 121.87 2k60 h LYS 73 Ca 0.01 0.00 0.28 0.00 0.09 0.00 0.00 60.65 61.03 2k60 h LYS 73 Cb 1.06 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 33.35 2k60 h LYS 73 CO 0.09 0.12 0.73 -0.07 -2.09 0.00 0.00 179.45 178.23 2k60 h LEU 74 N 0.00 0.00 0.00 7.07 4.07 -1.07 -0.84 115.31 124.53 2k60 h LEU 74 Ca -0.00 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.73 2k60 h LEU 74 Cb 0.49 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.20 2k60 h LEU 74 CO 0.02 0.00 -1.36 0.24 -1.08 0.00 0.00 178.44 176.26 2k60 h MET 75 N 0.00 0.00 -5.29 1.13 2.86 -1.58 -3.44 114.93 108.61 2k60 h MET 75 Ca 0.46 0.00 -0.66 0.00 -2.06 0.00 0.00 59.70 57.44 2k60 h MET 75 Cb 1.91 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 33.41 2k60 h MET 75 CO -0.00 0.60 0.04 0.34 1.06 0.00 0.00 176.91 178.95 2k60 s ASP 76 N -6.25 6.30 0.26 1.22 2.15 -0.32 -2.97 116.67 117.07 2k60 s ASP 76 Ca -0.02 -0.32 -0.02 0.00 0.43 0.00 0.00 52.55 52.62 2k60 s ASP 76 Cb 0.09 -2.29 0.52 0.00 -0.30 0.00 0.00 42.92 40.93 2k60 s ASP 76 CO 0.81 -0.68 1.75 -0.78 -0.17 0.00 0.00 175.17 176.10 2k60 h ASP 77 N 8.76 0.45 0.08 -0.34 1.82 -1.77 -2.07 116.42 123.35 2k60 h ASP 77 Ca -0.26 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.48 2k60 h ASP 77 Cb 1.10 0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.15 2k60 h ASP 77 CO 0.85 0.18 -0.80 -0.90 -1.61 0.00 0.00 179.24 176.96 2k60 n ASP 78 N -4.92 1.11 -3.08 2.28 5.75 -1.26 -5.02 116.55 111.41 2k60 n ASP 78 Ca 0.16 -0.98 -0.16 0.00 -0.01 0.00 0.00 54.79 53.81 2k60 n ASP 78 Cb 0.44 0.76 0.02 0.00 -1.03 0.00 0.00 41.12 41.30 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 -1.20 -2.74 -0.05 2.12 0.00 -0.78 -4.96 120.51 112.91 2k60 n ALA 79 Ca 0.05 0.65 0.02 0.00 0.00 0.00 0.00 53.44 54.17 2k60 n ALA 79 Cb 0.36 -2.43 0.05 0.00 0.00 0.00 0.00 19.45 17.43 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 0.11 2.26 0.00 0.00 6.94 -1.26 -4.95 115.26 118.37 2k60 n ASN 80 Ca 0.02 -1.95 0.00 0.00 -0.02 0.00 0.00 54.58 52.63 2k60 n ASN 80 Cb 0.46 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.80 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 -0.12 1.19 3.06 4.83 0.00 -1.26 -5.02 105.19 107.88 2k60 n GLY 81 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.21 -0.19 1.61 1.47 -1.26 -1.81 116.67 114.50 2k60 s ASP 82 Ca 0.00 0.41 -0.12 0.00 1.18 0.00 0.00 52.55 54.02 2k60 s ASP 82 Cb 0.00 0.39 -0.05 0.00 -0.34 0.00 0.00 42.92 42.92 2k60 s ASP 82 CO 0.00 -0.09 0.23 0.68 0.68 0.00 0.00 175.17 176.67 2k60 s VAL 83 N 0.38 5.34 0.35 2.11 -7.23 0.94 -4.87 120.40 117.42 2k60 s VAL 83 Ca -0.02 0.40 0.05 0.00 -1.81 0.00 0.00 61.98 60.60 2k60 s VAL 83 Cb -0.04 -3.57 -0.01 0.00 0.56 0.00 0.00 36.38 33.32 2k60 s VAL 83 CO -0.02 0.39 0.50 -0.62 -0.31 0.00 0.00 175.10 175.04 2k60 s ASP 84 N 0.55 5.99 0.37 4.85 2.15 -1.26 -1.37 116.67 127.95 2k60 s ASP 84 Ca 0.13 -0.06 0.09 0.00 0.43 0.00 0.00 52.55 53.14 2k60 s ASP 84 Cb -0.12 -1.37 0.83 0.00 -0.30 0.00 0.00 42.92 41.95 2k60 s ASP 84 CO 0.02 -0.44 1.91 -0.37 -0.17 0.00 0.00 175.17 176.12 2k60 h VAL 85 N 0.83 0.89 0.06 1.11 -1.51 -1.92 -0.33 116.25 115.38 2k60 h VAL 85 Ca -0.47 -0.23 -0.24 0.00 -1.23 0.00 0.00 66.70 64.54 2k60 h VAL 85 Cb 1.25 0.16 -0.01 0.00 -2.13 0.00 0.00 31.29 30.57 2k60 h VAL 85 CO 0.55 0.12 -1.09 -0.33 -1.23 0.00 0.00 177.57 175.59 2k60 h GLU 86 N 0.67 0.18 -0.24 5.19 5.08 -1.97 -1.99 114.58 121.51 2k60 h GLU 86 Ca 0.39 -0.28 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 2k60 h GLU 86 Cb 0.58 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 2k60 h GLU 86 CO -0.16 1.10 -0.23 0.93 -1.00 0.00 0.00 179.01 179.65 2k60 h GLU 87 N 0.06 0.58 -0.02 2.33 5.08 -1.66 -2.86 114.58 118.09 2k60 h GLU 87 Ca -0.08 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2k60 h GLU 87 Cb 1.80 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.06 2k60 h GLU 87 CO 0.17 0.90 0.00 -1.13 -1.00 0.00 0.00 179.01 177.94 2k60 n SER 88 N -4.37 0.52 -0.22 1.42 3.41 -0.22 -3.55 113.62 110.61 2k60 n SER 88 Ca -0.05 -1.29 -0.06 0.00 -0.26 0.00 0.00 58.87 57.21 2k60 n SER 88 Cb 0.43 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.31 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 -0.54 -0.56 0.09 4.04 2.03 -0.75 -0.98 116.55 119.88 2k60 n ASP 89 Ca 0.20 1.40 -0.18 0.00 0.52 0.00 0.00 54.79 56.72 2k60 n ASP 89 Cb 0.18 -0.35 -0.14 0.00 -0.72 0.00 0.00 41.12 40.08 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 0.31 0.00 -0.67 4.11 -1.85 -3.41 114.58 113.07 2k60 h GLU 90 Ca 0.08 -0.53 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2k60 h GLU 90 Cb 0.22 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2k60 h GLU 90 CO -0.50 1.21 0.00 1.19 0.07 0.00 0.00 179.01 180.98 2k60 n PHE 91 N -3.53 0.00 -0.23 2.06 3.72 -0.25 -1.68 117.46 117.55 2k60 n PHE 91 Ca -0.15 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.28 2k60 n PHE 91 Cb 1.05 -0.31 0.14 0.00 -0.94 0.00 0.00 39.48 39.42 2k60 n PHE 91 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2k60 h LEU 92 N 0.00 -0.02 0.12 4.37 5.85 -1.32 0.39 115.31 124.71 2k60 h LEU 92 Ca 0.00 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2k60 h LEU 92 Cb 0.00 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 2k60 h LEU 92 CO 0.00 -0.02 -0.30 0.03 -0.34 0.00 0.00 178.44 177.80 2k60 h ARG 93 N 0.25 -0.45 0.11 1.25 3.08 -1.70 -0.94 114.38 115.98 2k60 h ARG 93 Ca 0.37 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.44 2k60 h ARG 93 Cb 0.59 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.75 2k60 h ARG 93 CO -0.47 -0.30 -0.05 0.93 -1.07 0.00 0.00 179.97 179.01 2k60 h GLU 94 N -0.47 -0.14 -0.94 0.04 5.08 -0.86 0.51 114.58 117.80 2k60 h GLU 94 Ca -0.01 0.01 0.27 0.00 -1.00 0.00 0.00 59.36 58.62 2k60 h GLU 94 Cb 0.45 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 2k60 h GLU 94 CO -0.13 0.16 0.67 0.22 -1.00 0.00 0.00 179.01 178.93 2k60 h ASP 95 N -0.99 0.06 0.00 1.42 3.58 -0.24 -1.58 116.42 118.66 2k60 h ASP 95 Ca -0.01 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2k60 h ASP 95 Cb 0.37 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.42 2k60 h ASP 95 CO 0.02 0.02 0.00 0.00 -2.88 0.00 0.00 179.24 176.40 2k60 n LEU 96 N -4.29 0.00 -0.24 2.28 -0.00 -0.81 -4.34 117.00 109.59 2k60 n LEU 96 Ca 0.20 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.32 2k60 n LEU 96 Cb 0.97 0.00 0.13 0.00 -0.00 0.00 0.00 43.42 44.52 2k60 n LEU 96 CO 0.38 0.00 0.37 -3.20 -0.00 0.00 0.00 177.39 174.93 2k60 n ASN 97 N 0.00 1.27 0.00 1.45 4.05 -0.10 -4.76 115.26 117.17 2k60 n ASN 97 Ca 0.00 -1.02 0.00 0.00 0.45 0.00 0.00 54.58 54.01 2k60 n ASN 97 Cb 0.00 0.44 0.00 0.00 1.23 0.00 0.00 39.78 41.45 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 -0.75 0.00 0.00 1.20 4.11 0.16 -3.93 117.16 117.95 2k60 n TYR 98 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.98 2k60 n TYR 98 Cb 0.38 -1.18 0.00 0.00 -0.00 0.00 0.00 39.34 38.54 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 -1.42 -1.59 -4.67 -3.48 -0.00 -1.17 -4.89 115.22 98.00 2k60 n HIS 99 Ca 0.00 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 57.93 2k60 n HIS 99 Cb 0.00 0.32 -0.16 0.00 -0.12 0.00 0.00 29.99 30.02 2k60 n HIS 99 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2k60 s ASP 100 N -0.01 1.91 0.00 0.26 1.01 -1.25 -4.63 116.67 113.96 2k60 s ASP 100 Ca 0.00 -0.32 0.28 0.00 0.71 0.00 0.00 52.55 53.22 2k60 s ASP 100 Cb 0.00 -0.81 1.08 0.00 1.01 0.00 0.00 42.92 44.20 2k60 s ASP 100 CO 0.00 0.06 1.76 -0.81 0.21 0.00 0.00 175.17 176.40 2k60 n PRO 101 N 3.66 1.24 -0.32 8.23 -0.04 -1.26 -4.23 135.00 142.28 2k60 n PRO 101 Ca -0.22 -0.64 0.13 0.00 -0.04 0.00 0.00 63.50 62.73 2k60 n PRO 101 Cb 0.52 -1.49 0.35 0.00 -0.04 0.00 0.00 33.50 32.84 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 1.55 0.77 -0.00 0.52 2.02 -1.98 0.29 112.91 116.09 2k60 h THR 102 Ca 0.00 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.93 2k60 h THR 102 Cb 0.43 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.81 2k60 h THR 102 CO 0.00 0.13 -0.01 1.62 0.37 0.00 0.00 175.52 177.64 2k60 h VAL 103 N 0.74 0.98 -0.22 3.16 3.04 -1.98 0.11 116.25 122.08 2k60 h VAL 103 Ca 0.52 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 66.12 2k60 h VAL 103 Cb 0.83 0.98 -0.00 0.00 -2.01 0.00 0.00 31.29 31.09 2k60 h VAL 103 CO -0.29 0.00 -0.20 0.11 -1.01 0.00 0.00 177.57 176.18 2k60 h LYS 104 N -0.01 0.53 -0.01 4.17 1.79 -1.32 0.13 116.57 121.86 2k60 h LYS 104 Ca 0.00 -0.27 0.01 0.00 -2.18 0.00 0.00 60.65 58.21 2k60 h LYS 104 Cb 0.01 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 2k60 h LYS 104 CO -0.01 0.85 -0.03 0.45 -1.08 0.00 0.00 179.45 179.63 2k60 h HIS 105 N 0.22 -0.08 0.00 -1.35 3.86 -0.49 -1.19 115.15 116.12 2k60 h HIS 105 Ca 0.04 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.19 2k60 h HIS 105 Cb 0.75 0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.24 2k60 h HIS 105 CO 0.08 -0.05 -0.27 0.77 0.86 0.00 0.00 177.93 179.31 2k60 h SER 106 N -0.06 0.00 0.02 2.45 0.02 -0.77 -0.53 113.55 114.68 2k60 h SER 106 Ca 0.02 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2k60 h SER 106 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2k60 h SER 106 CO -0.04 0.27 -0.01 0.74 -1.14 0.00 0.00 176.83 176.65 2k60 h THR 107 N 0.00 1.36 0.31 -2.27 2.02 -0.41 -2.15 112.91 111.77 2k60 h THR 107 Ca -0.00 -1.16 -0.02 0.00 0.77 0.00 0.00 66.41 66.00 2k60 h THR 107 Cb 0.83 2.14 0.00 0.00 -1.74 0.00 0.00 68.15 69.38 2k60 h THR 107 CO 0.04 0.30 -0.15 0.15 0.37 0.00 0.00 175.52 176.22 2k60 h PHE 108 N -0.52 -0.39 -0.05 3.16 3.57 -1.17 -3.37 116.94 118.17 2k60 h PHE 108 Ca -0.00 -0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.32 2k60 h PHE 108 Cb 0.50 0.13 0.01 0.00 2.79 0.00 0.00 35.95 39.38 2k60 h PHE 108 CO 0.10 -0.22 -0.65 1.25 -2.23 0.00 0.00 178.31 176.56 2k60 h HIS 109 N -1.10 0.74 0.00 0.41 2.76 -1.24 -3.48 115.15 113.24 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 0.34 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.20 2k60 h HIS 109 CO 0.00 1.18 0.00 0.41 -1.30 0.00 0.00 177.93 178.22 2k60 n GLY 110 N 0.92 2.81 3.33 5.26 0.00 -0.81 -4.82 105.19 111.87 2k60 n GLY 110 Ca -0.09 -0.72 -0.46 0.00 0.00 0.00 0.00 46.02 44.75 2k60 n GLY 110 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k60 s GLU 111 N 0.00 3.90 0.00 1.61 2.12 -1.26 -4.56 118.70 120.50 2k60 s GLU 111 Ca 0.00 -2.87 0.00 0.00 0.36 0.00 0.00 54.97 52.46 2k60 s GLU 111 Cb 0.00 -4.48 0.00 0.00 0.26 0.00 0.00 34.13 29.91 2k60 s GLU 111 CO 0.00 -1.26 0.00 -3.47 -0.54 0.00 0.00 175.26 169.99 2k60 n ASP 112 N 3.29 0.00 0.00 -1.70 2.03 -1.26 -4.70 116.55 114.22 2k60 n ASP 112 Ca 0.19 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.50 2k60 n ASP 112 Cb 0.43 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 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 -0.07 0.00 -2.64 -0.67 5.02 -1.24 -4.81 118.16 113.74 2k60 n LYS 113 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 2k60 n LYS 113 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 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 4.11 -0.09 -0.35 1.02 -1.25 -4.38 118.68 117.74 2k60 s LEU 114 Ca 0.00 1.93 0.03 0.00 0.02 0.00 0.00 54.13 56.10 2k60 s LEU 114 Cb 0.00 -4.26 0.01 0.00 0.02 0.00 0.00 46.19 41.96 2k60 s LEU 114 CO 0.00 -0.42 -0.17 -0.63 0.02 0.00 0.00 176.35 175.15 2k60 s ILE 115 N -1.78 1.52 0.04 -0.59 -1.09 -0.47 -4.12 121.20 114.72 2k60 s ILE 115 Ca 0.58 -0.69 0.06 0.00 -2.23 0.00 0.00 60.65 58.37 2k60 s ILE 115 Cb -0.18 -1.36 -0.02 0.00 -1.58 0.00 0.00 42.46 39.31 2k60 s ILE 115 CO 0.23 0.44 -0.18 -0.55 -1.23 0.00 0.00 174.94 173.66 2k60 s SER 116 N 0.66 2.09 0.16 3.58 0.15 -1.26 -0.04 113.70 119.04 2k60 s SER 116 Ca -0.14 -0.49 -0.10 0.00 0.70 0.00 0.00 55.95 55.92 2k60 s SER 116 Cb -0.16 -0.16 0.03 0.00 -1.71 0.00 0.00 66.02 64.02 2k60 s SER 116 CO 0.04 0.10 1.59 -0.37 1.20 0.00 0.00 173.24 175.80 2k60 h VAL 117 N 4.43 1.27 -0.08 4.45 -1.51 -1.75 -1.51 116.25 121.55 2k60 h VAL 117 Ca -0.40 -1.22 -0.17 0.00 -1.23 0.00 0.00 66.70 63.67 2k60 h VAL 117 Cb 1.17 0.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.30 2k60 h VAL 117 CO 0.44 0.43 -0.70 1.05 -1.23 0.00 0.00 177.57 177.56 2k60 h GLU 118 N 0.86 0.36 0.01 5.19 -0.00 -1.97 0.44 114.58 119.48 2k60 h GLU 118 Ca 0.14 -0.28 -0.20 0.00 -0.00 0.00 0.00 59.36 59.01 2k60 h GLU 118 Cb 0.64 0.06 -0.02 0.00 -0.00 0.00 0.00 28.75 29.43 2k60 h GLU 118 CO 0.04 0.92 -0.94 0.22 -0.00 0.00 0.00 179.01 179.25 2k60 h ASP 119 N 0.25 0.09 -0.63 3.06 1.82 -1.94 -1.47 116.42 117.60 2k60 h ASP 119 Ca -0.02 -0.08 -0.09 0.00 -0.39 0.00 0.00 57.03 56.45 2k60 h ASP 119 Cb 1.26 -0.03 -0.02 0.00 0.68 0.00 0.00 39.33 41.21 2k60 h ASP 119 CO 0.12 0.98 0.06 -0.07 -1.61 0.00 0.00 179.24 178.71 2k60 h LEU 120 N 0.03 1.05 -0.51 2.28 3.38 -1.09 -0.11 115.31 120.34 2k60 h LEU 120 Ca -0.03 -0.27 0.08 0.00 0.09 0.00 0.00 57.88 57.75 2k60 h LEU 120 Cb 1.64 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 42.04 2k60 h LEU 120 CO 0.13 1.07 0.14 -0.25 0.09 0.00 0.00 178.44 179.61 2k60 h TRP 121 N 1.00 0.23 -0.25 1.13 7.01 -0.48 0.40 115.95 125.00 2k60 h TRP 121 Ca 0.19 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.25 2k60 h TRP 121 Cb 0.50 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.50 2k60 h TRP 121 CO 0.04 0.04 0.07 0.87 -2.79 0.00 0.00 178.44 176.66 2k60 h LYS 122 N 0.29 0.16 0.07 2.65 6.56 -0.82 -1.62 116.57 123.86 2k60 h LYS 122 Ca 0.25 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.84 2k60 h LYS 122 Cb 0.32 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 31.93 2k60 h LYS 122 CO -0.30 0.11 -0.07 0.00 -2.06 0.00 0.00 179.45 177.13 2k60 h ALA 123 N 1.17 -0.14 -0.34 3.86 0.00 -0.13 -1.43 119.26 122.25 2k60 h ALA 123 Ca 0.11 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.06 2k60 h ALA 123 Cb 0.09 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 2k60 h ALA 123 CO -0.13 -0.59 0.02 2.35 0.00 0.00 0.00 179.25 180.90 2k60 h TRP 124 N -0.16 0.01 0.00 0.00 7.01 -0.16 0.21 115.95 122.86 2k60 h TRP 124 Ca 0.01 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 2k60 h TRP 124 Cb 0.16 0.05 -0.00 0.00 -2.10 0.00 0.00 29.16 27.26 2k60 h TRP 124 CO -0.11 -0.04 -0.04 0.87 -2.79 0.00 0.00 178.44 176.33 2k60 h LYS 125 N 0.12 0.00 -0.18 2.65 1.57 -1.07 -1.29 116.57 118.36 2k60 h LYS 125 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2k60 h LYS 125 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2k60 h LYS 125 CO -0.26 0.04 0.00 0.45 -0.57 0.00 0.00 179.45 179.11 2k60 n SER 126 N -3.20 3.11 -4.99 0.86 2.88 -0.43 -4.83 113.62 107.02 2k60 n SER 126 Ca -0.00 -1.95 -0.19 0.00 -1.33 0.00 0.00 58.87 55.39 2k60 n SER 126 Cb 0.26 -0.11 0.01 0.00 -0.75 0.00 0.00 64.21 63.63 2k60 n SER 126 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2k60 s SER 127 N -1.68 5.71 0.50 -3.46 0.15 0.59 -4.97 113.70 110.55 2k60 s SER 127 Ca 0.31 -0.16 0.33 0.00 0.70 0.00 0.00 55.95 57.13 2k60 s SER 127 Cb 0.20 -1.02 1.39 0.00 -1.71 0.00 0.00 66.02 64.88 2k60 s SER 127 CO 0.29 -0.72 1.96 -0.33 1.20 0.00 0.00 173.24 175.64 2k60 h GLU 128 N 0.57 0.00 0.33 5.44 4.39 -1.89 -3.11 114.58 120.32 2k60 h GLU 128 Ca -0.43 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.27 2k60 h GLU 128 Cb 1.27 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.90 2k60 h GLU 128 CO 0.51 0.00 -0.34 0.28 -1.16 0.00 0.00 179.01 178.30 2k60 h VAL 129 N 0.00 0.30 0.00 3.13 2.07 -1.90 0.63 116.25 120.48 2k60 h VAL 129 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2k60 h VAL 129 Cb 0.43 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2k60 h VAL 129 CO 0.00 0.00 -0.03 0.22 0.02 0.00 0.00 177.57 177.78 2k60 h TYR 130 N -0.70 0.00 0.00 1.57 3.20 -1.49 -1.75 116.97 117.80 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 0.64 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.91 2k60 h TYR 130 CO -0.20 0.03 -0.36 0.09 -1.64 0.00 0.00 178.16 176.09 2k60 n ASN 131 N -3.17 0.50 -4.67 -2.11 3.02 -0.63 -4.64 115.26 103.56 2k60 n ASN 131 Ca -0.00 0.16 -0.43 0.00 -0.03 0.00 0.00 54.58 54.28 2k60 n ASN 131 Cb 0.27 -0.10 -0.02 0.00 -0.61 0.00 0.00 39.78 39.32 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 -3.07 3.16 0.67 3.10 0.51 0.12 -4.98 118.94 118.45 2k60 s TRP 132 Ca 0.10 1.27 -0.11 0.00 -2.12 0.00 0.00 56.10 55.24 2k60 s TRP 132 Cb 0.16 -3.37 0.15 0.00 -0.81 0.00 0.00 33.47 29.60 2k60 s TRP 132 CO 0.65 -1.05 0.89 -2.37 -0.51 0.00 0.00 176.95 174.56 2k60 n THR 133 N 5.09 0.00 -0.20 2.01 5.66 -1.26 -0.86 114.28 124.72 2k60 n THR 133 Ca 0.12 -0.64 -0.07 0.00 -3.05 0.00 0.00 64.05 60.41 2k60 n THR 133 Cb 0.46 -1.64 0.02 0.00 -1.55 0.00 0.00 70.33 67.62 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 -1.56 1.19 -0.92 1.08 2.07 -1.95 -2.14 116.25 114.02 2k60 h VAL 134 Ca -0.29 -0.52 0.09 0.00 0.82 0.00 0.00 66.70 66.80 2k60 h VAL 134 Cb 0.80 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 31.02 2k60 h VAL 134 CO 0.20 0.22 0.57 -0.78 0.02 0.00 0.00 177.57 177.79 2k60 h ASP 135 N 0.75 0.85 -0.02 0.57 1.82 -1.93 0.32 116.42 118.77 2k60 h ASP 135 Ca 0.19 0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.86 2k60 h ASP 135 Cb 0.08 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 39.96 2k60 h ASP 135 CO -0.03 0.50 -0.00 -0.33 -1.61 0.00 0.00 179.24 177.77 2k60 h GLU 136 N 0.96 0.04 -0.27 0.28 4.39 -1.80 -1.51 114.58 116.68 2k60 h GLU 136 Ca 0.43 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 60.03 2k60 h GLU 136 Cb 0.33 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2k60 h GLU 136 CO -0.22 0.34 -0.20 -0.24 -1.16 0.00 0.00 179.01 177.52 2k60 h VAL 137 N -0.27 1.25 0.27 3.13 3.04 -0.94 -0.27 116.25 122.46 2k60 h VAL 137 Ca 0.01 -1.17 -0.01 0.00 -1.01 0.00 0.00 66.70 64.51 2k60 h VAL 137 Cb 0.32 1.27 0.00 0.00 -2.01 0.00 0.00 31.29 30.87 2k60 h VAL 137 CO 0.00 0.38 -0.14 0.58 -1.01 0.00 0.00 177.57 177.38 2k60 h VAL 138 N 0.44 0.72 0.00 1.51 2.07 -0.82 0.47 116.25 120.64 2k60 h VAL 138 Ca 0.07 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.51 2k60 h VAL 138 Cb 0.60 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 2k60 h VAL 138 CO 0.04 0.00 -0.40 0.06 0.02 0.00 0.00 177.57 177.29 2k60 h GLN 139 N -0.37 0.00 -0.06 1.57 3.07 -1.05 -1.57 115.11 116.70 2k60 h GLN 139 Ca -0.03 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.64 2k60 h GLN 139 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.85 2k60 h GLN 139 CO 0.05 0.40 -0.20 2.35 0.09 0.00 0.00 178.83 181.52 2k60 h TRP 140 N 0.00 0.32 -0.62 0.06 2.91 -0.71 -1.16 115.95 116.76 2k60 h TRP 140 Ca -0.00 -0.13 -0.06 0.00 1.13 0.00 0.00 58.89 59.83 2k60 h TRP 140 Cb 0.73 -0.05 -0.03 0.00 -0.51 0.00 0.00 29.16 29.30 2k60 h TRP 140 CO 0.00 0.82 0.17 1.37 -1.03 0.00 0.00 178.44 179.77 2k60 h LEU 141 N -0.27 0.90 -0.00 0.65 8.10 0.19 0.12 115.31 124.99 2k60 h LEU 141 Ca -0.01 -0.17 -0.00 0.00 0.11 0.00 0.00 57.88 57.81 2k60 h LEU 141 Cb 0.83 -0.23 -0.00 0.00 -0.44 0.00 0.00 40.66 40.82 2k60 h LEU 141 CO 0.04 0.86 -0.01 0.16 -4.11 0.00 0.00 178.44 175.39 2k60 h ILE 142 N 0.92 1.44 0.00 0.15 3.07 -1.29 0.41 117.51 122.20 2k60 h ILE 142 Ca 0.20 -1.30 0.00 0.00 1.55 0.00 0.00 64.86 65.31 2k60 h ILE 142 Cb 0.31 2.31 0.00 0.00 -0.27 0.00 0.00 36.82 39.17 2k60 h ILE 142 CO -0.00 0.34 0.00 0.00 -1.05 0.00 0.00 178.15 177.44 2k60 h THR 143 N -0.53 0.00 0.00 0.16 1.03 -0.93 -0.75 112.91 111.89 2k60 h THR 143 Ca 0.00 -0.42 -0.14 0.00 -0.01 0.00 0.00 66.41 65.85 2k60 h THR 143 Cb 0.56 1.31 -0.02 0.00 -1.07 0.00 0.00 68.15 68.93 2k60 h THR 143 CO 0.00 0.00 -1.48 -1.22 -0.01 0.00 0.00 175.52 172.82 2k60 n TYR 144 N -2.73 0.00 0.10 0.00 4.01 0.39 -4.73 117.16 114.20 2k60 n TYR 144 Ca 0.01 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.77 2k60 n TYR 144 Cb 0.29 -0.31 -0.01 0.00 -0.31 0.00 0.00 39.34 39.00 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 -0.23 0.73 -0.49 -0.72 2.07 -0.30 -3.48 116.25 113.83 2k60 h VAL 145 Ca -0.21 -2.13 -0.11 0.00 0.82 0.00 0.00 66.70 65.08 2k60 h VAL 145 Cb 1.21 2.28 -0.02 0.00 -1.52 0.00 0.00 31.29 33.24 2k60 h VAL 145 CO -0.11 0.42 -0.12 -0.62 0.02 0.00 0.00 177.57 177.17 2k60 n GLU 146 N -3.10 -0.39 -3.33 1.57 1.02 -0.29 -4.95 120.64 111.16 2k60 n GLU 146 Ca -0.02 0.48 -0.45 0.00 -0.02 0.00 0.00 57.16 57.15 2k60 n GLU 146 Cb 0.77 -4.23 -0.07 0.00 -0.02 0.00 0.00 31.44 27.89 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 -1.35 5.73 -0.04 -4.62 2.01 -1.24 -4.92 118.68 114.25 2k60 s LEU 147 Ca 0.00 -1.44 0.02 0.00 0.01 0.00 0.00 54.13 52.72 2k60 s LEU 147 Cb 0.00 -2.22 0.12 0.00 0.01 0.00 0.00 46.19 44.10 2k60 s LEU 147 CO 0.00 -0.76 0.70 -0.81 1.01 0.00 0.00 176.35 176.49 2k60 n PRO 148 N 5.36 1.59 -0.52 1.29 -0.05 -1.26 -3.63 135.00 137.76 2k60 n PRO 148 Ca -0.12 -0.48 0.06 0.00 -0.05 0.00 0.00 63.50 62.91 2k60 n PRO 148 Cb 0.43 -1.61 0.27 0.00 -0.05 0.00 0.00 33.50 32.53 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 0.10 3.29 -0.33 0.54 -0.06 -1.26 -4.48 117.38 115.17 2k60 n GLN 149 Ca 0.04 -2.11 -0.01 0.00 -2.00 0.00 0.00 57.00 52.92 2k60 n GLN 149 Cb 0.40 -1.85 0.11 0.00 -4.06 0.00 0.00 30.24 24.84 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 2.87 1.09 0.15 3.69 -0.00 -1.96 -1.27 116.97 121.54 2k60 h TYR 150 Ca 0.00 0.03 0.02 0.00 -0.00 0.00 0.00 58.73 58.77 2k60 h TYR 150 Cb 1.29 -0.36 -0.04 0.00 -0.00 0.00 0.00 36.73 37.61 2k60 h TYR 150 CO 0.65 0.63 -0.45 1.49 -0.00 0.00 0.00 178.16 180.48 2k60 h GLU 151 N 1.13 -0.68 0.02 0.10 4.57 -1.93 0.13 114.58 117.92 2k60 h GLU 151 Ca 0.35 0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.59 2k60 h GLU 151 Cb -0.01 0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 2k60 h GLU 151 CO -0.11 -0.45 -0.10 0.93 -1.18 0.00 0.00 179.01 178.09 2k60 h GLU 152 N -0.70 -0.18 -0.38 1.92 3.07 -1.82 -1.18 114.58 115.31 2k60 h GLU 152 Ca 0.01 0.01 -0.11 0.00 -0.50 0.00 0.00 59.36 58.78 2k60 h GLU 152 Cb 0.71 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.65 2k60 h GLU 152 CO -0.24 -0.12 -0.17 0.00 -1.40 0.00 0.00 179.01 177.08 2k60 h THR 153 N -0.19 1.28 -0.24 1.13 1.03 -0.97 0.50 112.91 115.45 2k60 h THR 153 Ca 0.03 -1.30 -0.12 0.00 -0.01 0.00 0.00 66.41 65.01 2k60 h THR 153 Cb 0.22 1.31 -0.01 0.00 -1.07 0.00 0.00 68.15 68.60 2k60 h THR 153 CO -0.09 0.43 -0.36 2.19 -0.01 0.00 0.00 175.52 177.68 2k60 h PHE 154 N 0.59 0.62 0.00 0.00 -5.15 -0.64 -0.15 116.94 112.21 2k60 h PHE 154 Ca 0.09 -0.17 -0.09 0.00 -0.20 0.00 0.00 57.97 57.60 2k60 h PHE 154 Cb 0.72 -0.14 -0.01 0.00 0.22 0.00 0.00 35.95 36.74 2k60 h PHE 154 CO 0.06 0.82 -0.45 0.07 -2.00 0.00 0.00 178.31 176.81 2k60 h ARG 155 N 0.45 0.00 0.02 6.09 0.11 -1.01 0.17 114.38 120.21 2k60 h ARG 155 Ca 0.05 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.13 2k60 h ARG 155 Cb 0.83 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.92 2k60 h ARG 155 CO 0.07 0.45 -0.01 0.87 0.10 0.00 0.00 179.97 181.45 2k60 h LYS 156 N 0.00 -0.02 0.00 0.08 1.79 -0.18 -3.41 116.57 114.83 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 1.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 2k60 h LYS 156 CO 0.06 0.69 -0.36 1.47 -1.08 0.00 0.00 179.45 180.23 2k60 n LEU 157 N -4.75 0.00 -2.75 2.94 -0.00 -0.13 -5.09 117.00 107.22 2k60 n LEU 157 Ca -0.09 -0.29 -0.00 0.00 -0.00 0.00 0.00 56.01 55.63 2k60 n LEU 157 Cb 0.35 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.77 2k60 n LEU 157 CO 0.32 0.00 -0.51 0.00 -0.00 0.00 0.00 177.39 177.20 2k60 n GLN 158 N -1.10 -3.38 -3.31 1.47 6.02 0.61 -5.01 117.38 112.67 2k60 n GLN 158 Ca 0.00 2.72 -0.28 0.00 -0.01 0.00 0.00 57.00 59.43 2k60 n GLN 158 Cb 0.00 -5.05 -0.03 0.00 1.02 0.00 0.00 30.24 26.19 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 -1.50 4.03 0.00 1.08 2.34 -1.26 -4.88 118.68 118.48 2k60 s LEU 159 Ca -0.02 0.67 0.00 0.00 0.06 0.00 0.00 54.13 54.84 2k60 s LEU 159 Cb 0.00 -3.51 0.00 0.00 -0.56 0.00 0.00 46.19 42.13 2k60 s LEU 159 CO 0.73 -0.23 0.00 -1.54 -1.06 0.00 0.00 176.35 174.25 2k60 n SER 160 N -1.17 0.00 0.31 1.48 3.41 -1.26 -3.88 113.62 112.51 2k60 n SER 160 Ca -0.02 -0.06 0.19 0.00 -0.26 0.00 0.00 58.87 58.72 2k60 n SER 160 Cb 0.54 0.00 1.04 0.00 -0.26 0.00 0.00 64.21 65.53 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 0.96 5.00 0.00 -1.09 0.24 103.07 108.19 2k60 h GLY 161 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 2k60 h GLY 161 CO 0.00 0.00 -1.73 0.84 0.00 0.00 0.00 176.54 175.65 2k60 h HIS 162 N 0.00 0.56 -0.14 5.60 -0.00 -1.84 -3.31 115.15 116.02 2k60 h HIS 162 Ca 0.01 -0.41 -0.07 0.00 -0.00 0.00 0.00 60.37 59.90 2k60 h HIS 162 Cb 0.14 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.51 2k60 h HIS 162 CO 0.00 1.58 -0.22 0.00 -0.00 0.00 0.00 177.93 179.29 2k60 h ALA 163 N 0.27 1.38 -0.39 5.26 0.00 -1.60 -2.20 119.26 121.97 2k60 h ALA 163 Ca -0.33 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.37 2k60 h ALA 163 Cb 2.06 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 19.68 2k60 h ALA 163 CO 0.15 0.43 -0.47 0.52 0.00 0.00 0.00 179.25 179.88 2k60 h MET 164 N 0.22 -0.35 -0.21 0.00 2.86 -0.66 0.92 114.93 117.72 2k60 h MET 164 Ca 0.04 0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.64 2k60 h MET 164 Cb 0.52 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.25 2k60 h MET 164 CO 0.04 -0.23 -0.13 -1.00 1.06 0.00 0.00 176.91 176.64 2k60 h PRO 165 N -0.36 0.45 -1.00 -0.22 0.13 -1.73 -2.60 132.00 126.68 2k60 h PRO 165 Ca 0.11 -0.21 0.21 0.00 -0.87 0.00 0.00 66.00 65.24 2k60 h PRO 165 Cb 0.60 -0.01 -0.10 0.00 0.13 0.00 0.00 31.00 31.62 2k60 h PRO 165 CO -0.57 0.76 0.62 -0.09 -0.23 0.00 0.00 178.00 178.48 2k60 h ARG 166 N 0.15 0.64 0.00 0.86 1.12 -0.67 -0.75 114.38 115.72 2k60 h ARG 166 Ca 0.04 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2k60 h ARG 166 Cb 0.64 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 30.45 2k60 h ARG 166 CO 0.04 0.42 -0.66 1.47 -3.11 0.00 0.00 179.97 178.13 2k60 n LEU 167 N -4.74 0.63 0.18 3.80 -0.00 0.31 -3.81 117.00 113.38 2k60 n LEU 167 Ca 0.24 0.14 0.14 0.00 -0.00 0.00 0.00 56.01 56.53 2k60 n LEU 167 Cb 0.65 -0.19 0.56 0.00 -0.00 0.00 0.00 43.42 44.44 2k60 n LEU 167 CO 0.22 0.00 0.91 0.00 -0.00 0.00 0.00 177.39 178.52 2k60 h ALA 168 N 2.63 1.00 -3.01 1.47 0.00 -0.72 -3.40 119.26 117.23 2k60 h ALA 168 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 2k60 h ALA 168 Cb 0.69 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 18.21 2k60 h ALA 168 CO 0.00 0.00 -0.68 0.54 0.00 0.00 0.00 179.25 179.11 2k60 s VAL 169 N -3.44 3.71 0.41 0.00 0.11 -1.23 -4.28 120.40 115.67 2k60 s VAL 169 Ca 0.03 -0.48 0.00 0.00 -2.93 0.00 0.00 61.98 58.60 2k60 s VAL 169 Cb 0.09 -2.76 0.00 0.00 -1.53 0.00 0.00 36.38 32.18 2k60 s VAL 169 CO 0.45 0.31 0.00 0.35 -3.33 0.00 0.00 175.10 172.88 2k60 n THR 170 N 4.84 -5.34 0.26 5.04 -2.24 -1.26 -4.33 114.28 111.25 2k60 n THR 170 Ca -0.17 2.47 0.15 0.00 -2.27 0.00 0.00 64.05 64.23 2k60 n THR 170 Cb 0.50 -3.24 0.60 0.00 -2.10 0.00 0.00 70.33 66.09 2k60 n THR 170 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2k60 h ASN 171 N 2.68 0.00 -0.21 3.42 -1.07 -1.86 -2.19 115.58 116.35 2k60 h ASN 171 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 56.30 56.29 2k60 h ASN 171 Cb 0.00 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.23 2k60 h ASN 171 CO 0.00 0.08 -0.14 0.71 0.07 0.00 0.00 177.43 178.14 2k60 h THR 172 N 0.00 1.25 -0.05 6.14 1.35 -1.89 -0.10 112.91 119.61 2k60 h THR 172 Ca -0.00 -1.13 -0.12 0.00 -0.55 0.00 0.00 66.41 64.61 2k60 h THR 172 Cb 0.59 1.14 -0.01 0.00 -1.73 0.00 0.00 68.15 68.14 2k60 h THR 172 CO 0.01 0.37 -0.51 0.74 -0.25 0.00 0.00 175.52 175.88 2k60 h THR 173 N 0.56 1.36 0.02 6.82 2.02 -1.58 -3.25 112.91 118.85 2k60 h THR 173 Ca 0.10 -1.76 -0.05 0.00 0.77 0.00 0.00 66.41 65.47 2k60 h THR 173 Cb 0.57 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.87 2k60 h THR 173 CO 0.04 0.52 -0.23 -0.03 0.37 0.00 0.00 175.52 176.19 2k60 h MET 174 N 0.11 0.05 -7.35 6.66 1.85 -1.49 -3.47 114.93 111.30 2k60 h MET 174 Ca 0.00 -0.09 -0.51 0.00 -0.61 0.00 0.00 59.70 58.49 2k60 h MET 174 Cb 0.94 0.03 0.09 0.00 0.43 0.00 0.00 31.60 33.09 2k60 h MET 174 CO 0.07 1.04 0.38 -0.08 -0.40 0.00 0.00 176.91 177.93 2k60 s THR 175 N -2.27 4.16 0.00 -0.77 -1.32 -0.08 -4.97 115.64 110.41 2k60 s THR 175 Ca -0.19 0.70 0.00 0.00 -1.21 0.00 0.00 61.69 61.00 2k60 s THR 175 Cb -0.02 -3.51 0.00 0.00 -1.51 0.00 0.00 72.50 67.47 2k60 s THR 175 CO 0.71 -0.92 0.00 0.61 -2.21 0.00 0.00 174.62 172.81 2k60 n GLY 176 N -2.18 -0.45 0.00 6.08 0.00 -1.26 -4.86 105.19 102.52 2k60 n GLY 176 Ca 0.07 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.00 0.00 -3.77 2.61 -1.04 -1.26 -4.98 114.28 103.84 2k60 n THR 177 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.75 2k60 n THR 177 Cb 0.00 -0.16 -0.17 0.00 -1.82 0.00 0.00 70.33 68.18 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 0.00 0.54 0.27 12.58 1.01 -1.26 -4.98 120.40 128.56 2k60 s VAL 178 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.72 2k60 s VAL 178 Cb 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.53 2k60 s VAL 178 CO 0.00 0.05 0.00 -0.11 0.00 0.00 0.00 175.10 175.04 2k60 n LEU 179 N 5.07 -0.39 -4.87 3.92 7.94 -1.26 -4.76 117.00 122.64 2k60 n LEU 179 Ca -0.09 0.47 -0.31 0.00 -1.11 0.00 0.00 56.01 54.98 2k60 n LEU 179 Cb 0.49 0.58 -0.04 0.00 0.53 0.00 0.00 43.42 44.97 2k60 n LEU 179 CO 0.12 -0.70 0.37 -1.59 -1.11 0.00 0.00 177.39 174.48 2k60 s LYS 180 N -1.88 3.81 -0.11 1.96 0.00 -1.26 -4.93 119.74 117.33 2k60 s LYS 180 Ca 0.00 0.42 -0.12 0.00 0.00 0.00 0.00 55.97 56.27 2k60 s LYS 180 Cb 0.00 -2.47 -0.04 0.00 0.00 0.00 0.00 37.83 35.32 2k60 s LYS 180 CO 0.00 0.09 -0.24 -1.33 0.00 0.00 0.00 175.35 173.87 2k60 n MET 181 N -0.87 0.36 -3.46 1.78 2.81 -1.26 -4.91 117.12 111.58 2k60 n MET 181 Ca 0.02 0.14 -0.39 0.00 -1.81 0.00 0.00 57.70 55.66 2k60 n MET 181 Cb 0.54 -1.13 -0.10 0.00 -0.71 0.00 0.00 33.22 31.82 2k60 n MET 181 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2k60 s THR 182 N -2.41 5.22 0.05 2.03 -4.23 -1.26 -4.99 115.64 110.05 2k60 s THR 182 Ca -0.20 0.26 -0.24 0.00 -1.18 0.00 0.00 61.69 60.33 2k60 s THR 182 Cb 0.03 -3.69 -0.17 0.00 1.34 0.00 0.00 72.50 70.01 2k60 s THR 182 CO 0.30 0.10 1.57 0.44 -0.54 0.00 0.00 174.62 176.49 2k60 h ASP 183 N 8.33 0.00 -0.49 3.99 3.32 -1.99 0.75 116.42 130.34 2k60 h ASP 183 Ca -0.32 -0.17 -0.07 0.00 0.02 0.00 0.00 57.03 56.49 2k60 h ASP 183 Cb 1.16 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 2k60 h ASP 183 CO 0.63 0.17 0.05 0.08 -1.72 0.00 0.00 179.24 178.45 2k60 h ARG 184 N -0.17 0.83 -0.03 3.56 -0.00 -1.99 -1.50 114.38 115.07 2k60 h ARG 184 Ca 0.00 -0.24 -0.14 0.00 -0.00 0.00 0.00 59.98 59.60 2k60 h ARG 184 Cb 0.17 -0.09 -0.01 0.00 -0.00 0.00 0.00 29.97 30.04 2k60 h ARG 184 CO -0.00 0.85 -0.62 0.77 -0.00 0.00 0.00 179.97 180.97 2k60 h SER 185 N 0.69 0.14 0.02 0.08 0.02 -1.97 -0.17 113.55 112.37 2k60 h SER 185 Ca 0.14 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2k60 h SER 185 Cb 0.44 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.94 2k60 h SER 185 CO 0.02 0.72 -0.01 -0.74 -1.14 0.00 0.00 176.83 175.68 2k60 h HIS 186 N 0.09 -0.03 -0.21 3.45 -0.00 -0.47 0.11 115.15 118.10 2k60 h HIS 186 Ca -0.01 -0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.31 2k60 h HIS 186 Cb 1.11 0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 28.52 2k60 h HIS 186 CO 0.01 0.29 -0.11 0.07 -0.00 0.00 0.00 177.93 178.19 2k60 h ARG 187 N -0.35 0.33 0.76 5.26 0.11 -1.13 0.11 114.38 119.47 2k60 h ARG 187 Ca -0.00 -0.08 -0.04 0.00 0.10 0.00 0.00 59.98 59.96 2k60 h ARG 187 Cb 0.33 -0.04 0.01 0.00 1.11 0.00 0.00 29.97 31.37 2k60 h ARG 187 CO 0.01 0.45 -0.36 1.96 0.10 0.00 0.00 179.97 182.12 2k60 h GLN 188 N 0.31 -0.98 -0.38 0.08 1.08 -0.73 0.43 115.11 114.91 2k60 h GLN 188 Ca 0.06 0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.30 2k60 h GLN 188 Cb 0.39 0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 28.03 2k60 h GLN 188 CO 0.02 -0.65 0.12 0.87 -0.95 0.00 0.00 178.83 178.24 2k60 h LYS 189 N -1.02 0.59 -0.29 1.46 1.79 -0.40 -0.42 116.57 118.28 2k60 h LYS 189 Ca -0.10 -0.13 -0.02 0.00 -2.18 0.00 0.00 60.65 58.22 2k60 h LYS 189 Cb 0.78 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.33 2k60 h LYS 189 CO 0.17 0.60 0.11 -0.07 -1.08 0.00 0.00 179.45 179.18 2k60 h LEU 190 N 0.47 0.39 -0.56 2.94 -0.00 -0.83 -1.64 115.31 116.09 2k60 h LEU 190 Ca 0.12 -0.17 -0.09 0.00 -0.00 0.00 0.00 57.88 57.74 2k60 h LEU 190 Cb 0.25 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 40.79 2k60 h LEU 190 CO -0.00 0.45 -0.01 0.06 -0.00 0.00 0.00 178.44 178.94 2k60 h GLN 191 N 0.31 1.00 0.02 1.13 3.07 -0.73 0.34 115.11 120.24 2k60 h GLN 191 Ca 0.10 -0.32 0.02 0.00 0.09 0.00 0.00 58.65 58.54 2k60 h GLN 191 Cb 0.18 -0.09 -0.03 0.00 0.08 0.00 0.00 27.48 27.62 2k60 h GLN 191 CO -0.01 1.00 -0.18 -0.07 0.09 0.00 0.00 178.83 179.66 2k60 h LEU 192 N 0.88 -0.53 0.00 0.06 -0.00 -0.98 0.14 115.31 114.89 2k60 h LEU 192 Ca 0.16 0.07 -0.00 0.00 -0.00 0.00 0.00 57.88 58.11 2k60 h LEU 192 Cb 0.56 0.22 0.00 0.00 -0.00 0.00 0.00 40.66 41.44 2k60 h LEU 192 CO 0.03 -0.25 -0.00 0.11 -0.00 0.00 0.00 178.44 178.33 2k60 h LYS 193 N -0.31 -0.00 -0.48 1.13 6.56 -1.15 -1.68 116.57 120.64 2k60 h LYS 193 Ca 0.05 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.58 2k60 h LYS 193 Cb 0.37 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.01 2k60 h LYS 193 CO -0.16 0.81 0.05 0.00 -2.06 0.00 0.00 179.45 178.09 2k60 h ALA 194 N 0.15 0.64 -0.15 3.86 0.00 -0.33 -0.08 119.26 123.35 2k60 h ALA 194 Ca -0.00 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.47 2k60 h ALA 194 Cb 0.82 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.44 2k60 h ALA 194 CO 0.00 0.40 -0.62 1.25 0.00 0.00 0.00 179.25 180.28 2k60 h LEU 195 N 0.68 0.81 -1.63 0.00 5.85 -0.83 0.23 115.31 120.41 2k60 h LEU 195 Ca 0.14 -0.62 0.02 0.00 0.84 0.00 0.00 57.88 58.27 2k60 h LEU 195 Cb 0.44 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 2k60 h LEU 195 CO 0.02 1.29 0.28 -0.78 -0.34 0.00 0.00 178.44 178.91 2k60 h ASP 196 N 0.37 0.42 0.13 1.25 3.58 -1.18 -0.58 116.42 120.41 2k60 h ASP 196 Ca -0.04 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 2k60 h ASP 196 Cb 1.26 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.21 2k60 h ASP 196 CO 0.13 0.29 -0.06 0.74 -2.88 0.00 0.00 179.24 177.46 2k60 h THR 197 N 0.49 1.03 0.00 2.25 2.02 -0.63 0.33 112.91 118.40 2k60 h THR 197 Ca 0.16 -1.12 -0.02 0.00 0.77 0.00 0.00 66.41 66.20 2k60 h THR 197 Cb 0.06 1.68 -0.00 0.00 -1.74 0.00 0.00 68.15 68.15 2k60 h THR 197 CO -0.04 0.25 -0.10 -0.37 0.37 0.00 0.00 175.52 175.62 2k60 h VAL 198 N -0.74 0.53 0.00 3.16 -1.51 -0.26 -0.39 116.25 117.04 2k60 h VAL 198 Ca -0.02 -0.48 -0.26 0.00 -1.23 0.00 0.00 66.70 64.72 2k60 h VAL 198 Cb 0.54 1.31 -0.04 0.00 -2.13 0.00 0.00 31.29 30.97 2k60 h VAL 198 CO 0.03 0.10 -1.45 0.18 -1.23 0.00 0.00 177.57 175.20 2k60 n LEU 199 N -3.63 1.87 -0.10 4.19 4.77 -0.25 -4.38 117.00 119.48 2k60 n LEU 199 Ca -0.02 0.42 -0.20 0.00 -0.03 0.00 0.00 56.01 56.18 2k60 n LEU 199 Cb 0.22 -0.93 -0.07 0.00 -2.33 0.00 0.00 43.42 40.31 2k60 n LEU 199 CO 0.29 0.29 -1.11 0.33 -1.33 0.00 0.00 177.39 175.86 2k60 n PHE 200 N -4.41 0.00 -0.44 -1.77 7.35 0.11 -4.94 117.46 113.35 2k60 n PHE 200 Ca -0.35 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.34 2k60 n PHE 200 Cb 0.70 -0.71 0.00 0.00 0.35 0.00 0.00 39.48 39.82 2k60 n PHE 200 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41