#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k60 s SER -4 N 0.00 0.05 0.09 1.61 0.01 -1.26 -4.76 113.70 109.43 2k60 s SER -4 Ca 0.00 -0.40 -0.09 0.00 1.31 0.00 0.00 55.95 56.77 2k60 s SER -4 Cb 0.00 0.29 -0.20 0.00 0.21 0.00 0.00 66.02 66.32 2k60 s SER -4 CO 0.00 -0.57 1.21 -0.74 0.41 0.00 0.00 173.24 173.55 2k60 h HIS -3 N 3.42 0.81 0.00 2.43 -0.00 -2.00 -3.42 115.15 116.38 2k60 h HIS -3 Ca -0.32 -0.47 0.00 0.00 -0.00 0.00 0.00 60.37 59.57 2k60 h HIS -3 Cb 1.19 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 28.52 2k60 h HIS -3 CO 0.50 1.31 0.00 -1.33 -0.00 0.00 0.00 177.93 178.41 2k60 n MET -2 N -3.76 0.00 0.00 5.26 2.00 -1.26 -4.96 117.12 114.40 2k60 n MET -2 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.60 2k60 n MET -2 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 33.22 34.13 2k60 n MET -2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2k60 n ALA -1 N -1.50 0.00 0.00 3.04 0.00 -1.26 -4.67 120.51 116.12 2k60 n ALA -1 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k60 n ALA -1 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.31 0.00 -3.71 0.00 7.64 -1.26 -4.44 113.62 110.54 2k60 n SER 0 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 2k60 n SER 0 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 2k60 n SER 0 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2k60 s SER 58 N -1.72 -0.40 -0.18 6.43 1.04 -1.26 -4.73 113.70 112.88 2k60 s SER 58 Ca 0.00 0.65 0.03 0.00 0.48 0.00 0.00 55.95 57.10 2k60 s SER 58 Cb 0.00 0.70 -0.13 0.00 0.10 0.00 0.00 66.02 66.69 2k60 s SER 58 CO 0.00 -0.28 -0.14 1.21 0.98 0.00 0.00 173.24 175.01 2k60 n GLU 59 N 2.22 0.60 0.00 4.02 4.07 -1.26 -4.19 120.64 126.09 2k60 n GLU 59 Ca -0.16 0.09 0.00 0.00 -0.06 0.00 0.00 57.16 57.03 2k60 n GLU 59 Cb 0.57 -1.37 0.00 0.00 -0.06 0.00 0.00 31.44 30.58 2k60 n GLU 59 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2k60 n ASP 60 N -2.98 0.00 -3.71 4.31 -0.08 -1.26 -4.29 116.55 108.55 2k60 n ASP 60 Ca -0.31 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 52.87 2k60 n ASP 60 Cb 0.86 0.01 -0.05 0.00 2.34 0.00 0.00 41.12 44.28 2k60 n ASP 60 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2k60 s GLU 61 N -0.36 1.13 -0.72 -0.67 0.41 -1.26 -5.07 118.70 112.17 2k60 s GLU 61 Ca 0.00 -0.81 -0.29 0.00 -0.41 0.00 0.00 54.97 53.46 2k60 s GLU 61 Cb 0.00 0.46 -0.14 0.00 -1.78 0.00 0.00 34.13 32.67 2k60 s GLU 61 CO 0.00 -0.45 2.54 1.63 -0.49 0.00 0.00 175.26 178.49 2k60 n LYS 62 N -0.24 0.57 -4.49 1.61 4.76 -1.26 -4.90 118.16 114.21 2k60 n LYS 62 Ca -0.14 0.01 -0.24 0.00 -2.87 0.00 0.00 58.31 55.07 2k60 n LYS 62 Cb 0.63 -2.53 -0.10 0.00 -1.84 0.00 0.00 35.03 31.19 2k60 n LYS 62 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2k60 s LEU 63 N 10.60 2.62 0.23 -0.35 2.96 -1.26 -5.06 118.68 128.43 2k60 s LEU 63 Ca 1.16 -1.19 -0.05 0.00 -0.22 0.00 0.00 54.13 53.83 2k60 s LEU 63 Cb -0.69 -0.85 0.23 0.00 0.50 0.00 0.00 46.19 45.37 2k60 s LEU 63 CO 0.37 -0.25 1.71 0.28 -1.32 0.00 0.00 176.35 177.14 2k60 h SER 64 N 2.14 0.87 0.40 3.68 0.02 -1.99 -2.89 113.55 115.78 2k60 h SER 64 Ca -0.41 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.30 2k60 h SER 64 Cb 1.24 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 2k60 h SER 64 CO 0.69 0.94 -0.27 0.15 -1.14 0.00 0.00 176.83 177.19 2k60 h PHE 65 N 0.82 -0.72 -0.36 3.45 3.57 -1.97 0.33 116.94 122.07 2k60 h PHE 65 Ca 0.15 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.56 2k60 h PHE 65 Cb 0.52 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 2k60 h PHE 65 CO 0.03 -0.42 -0.12 1.05 -2.23 0.00 0.00 178.31 176.62 2k60 h GLU 66 N -0.66 0.63 -0.10 1.11 4.11 -1.92 -1.14 114.58 116.62 2k60 h GLU 66 Ca -0.04 -0.20 -0.04 0.00 0.07 0.00 0.00 59.36 59.16 2k60 h GLU 66 Cb 0.55 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 2k60 h GLU 66 CO 0.02 0.74 -0.07 0.00 0.07 0.00 0.00 179.01 179.76 2k60 h ALA 67 N 1.29 0.14 -0.42 1.06 0.00 -1.27 -0.59 119.26 119.48 2k60 h ALA 67 Ca 0.10 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2k60 h ALA 67 Cb 0.55 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2k60 h ALA 67 CO 0.03 -0.05 0.27 -0.24 0.00 0.00 0.00 179.25 179.27 2k60 h VAL 68 N -0.16 1.12 0.00 0.00 3.04 -0.19 -0.80 116.25 119.26 2k60 h VAL 68 Ca 0.02 -0.23 -0.06 0.00 -1.01 0.00 0.00 66.70 65.41 2k60 h VAL 68 Cb 0.56 0.52 -0.01 0.00 -2.01 0.00 0.00 31.29 30.35 2k60 h VAL 68 CO 0.02 0.11 -0.30 0.08 -1.01 0.00 0.00 177.57 176.47 2k60 h ARG 69 N 0.57 0.00 0.12 4.17 0.11 -1.14 -1.15 114.38 117.05 2k60 h ARG 69 Ca 0.15 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.23 2k60 h ARG 69 Cb -0.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.04 2k60 h ARG 69 CO -0.03 0.30 -0.06 -0.97 0.10 0.00 0.00 179.97 179.31 2k60 h ASN 70 N 0.00 -0.14 -0.18 0.08 -0.73 0.29 0.28 115.58 115.18 2k60 h ASN 70 Ca -0.00 -0.23 -0.07 0.00 1.87 0.00 0.00 56.30 57.88 2k60 h ASN 70 Cb 0.59 0.04 -0.02 0.00 0.27 0.00 0.00 38.32 39.20 2k60 h ASN 70 CO 0.04 0.16 -0.09 0.40 -0.37 0.00 0.00 177.43 177.57 2k60 h ILE 71 N -0.43 1.22 0.00 2.57 5.03 -0.91 -0.45 117.51 124.54 2k60 h ILE 71 Ca -0.02 -0.95 -0.08 0.00 -0.12 0.00 0.00 64.86 63.69 2k60 h ILE 71 Cb 0.35 1.08 -0.01 0.00 -3.03 0.00 0.00 36.82 35.21 2k60 h ILE 71 CO 0.03 0.32 -0.40 0.45 -0.68 0.00 0.00 178.15 177.86 2k60 h HIS 72 N 0.48 0.00 0.00 1.37 3.86 -1.08 -2.53 115.15 117.25 2k60 h HIS 72 Ca 0.09 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.26 2k60 h HIS 72 Cb 0.45 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 2k60 h HIS 72 CO 0.02 0.40 -0.23 1.57 0.86 0.00 0.00 177.93 180.55 2k60 h LYS 73 N 0.00 0.00 0.00 2.45 5.09 0.12 -1.90 116.57 122.33 2k60 h LYS 73 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 2k60 h LYS 73 Cb 0.88 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.21 2k60 h LYS 73 CO 0.05 0.23 0.38 -0.07 -2.09 0.00 0.00 179.45 177.96 2k60 h LEU 74 N 0.00 0.00 0.00 7.07 4.07 -0.84 -2.79 115.31 122.82 2k60 h LEU 74 Ca -0.00 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.88 2k60 h LEU 74 Cb 0.74 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.47 2k60 h LEU 74 CO 0.03 0.00 -0.90 0.23 -1.08 0.00 0.00 178.44 176.72 2k60 n MET 75 N -2.21 0.28 -1.75 1.13 2.81 -0.77 -4.72 117.12 111.90 2k60 n MET 75 Ca -0.01 0.11 -0.19 0.00 -1.81 0.00 0.00 57.70 55.81 2k60 n MET 75 Cb 0.41 -0.98 -0.09 0.00 -0.71 0.00 0.00 33.22 31.84 2k60 n MET 75 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2k60 s ASP 76 N -6.05 3.98 0.31 7.83 2.15 -0.86 -3.36 116.67 120.67 2k60 s ASP 76 Ca -0.16 -1.02 0.07 0.00 0.43 0.00 0.00 52.55 51.87 2k60 s ASP 76 Cb 0.04 -2.59 0.78 0.00 -0.30 0.00 0.00 42.92 40.85 2k60 s ASP 76 CO 0.23 -4.13 1.76 -0.78 -0.17 0.00 0.00 175.17 172.08 2k60 h ASP 77 N 11.23 0.73 0.58 -0.34 3.58 -1.77 0.40 116.42 130.83 2k60 h ASP 77 Ca 0.07 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.63 2k60 h ASP 77 Cb 0.98 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.02 2k60 h ASP 77 CO 1.08 0.21 -0.46 -0.90 -2.88 0.00 0.00 179.24 176.29 2k60 n ASP 78 N -4.82 0.46 -3.06 2.28 5.75 -1.26 -5.00 116.55 110.90 2k60 n ASP 78 Ca 0.24 -0.14 -0.14 0.00 -0.01 0.00 0.00 54.79 54.75 2k60 n ASP 78 Cb 0.63 0.16 0.01 0.00 -1.03 0.00 0.00 41.12 40.89 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 -1.53 -2.75 -0.15 2.12 0.00 0.13 -4.93 120.51 113.40 2k60 n ALA 79 Ca 0.05 0.61 0.00 0.00 0.00 0.00 0.00 53.44 54.11 2k60 n ALA 79 Cb 0.34 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.54 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 0.20 0.95 0.00 0.00 6.94 -1.26 -4.91 115.26 117.18 2k60 n ASN 80 Ca 0.02 -1.11 0.00 0.00 -0.02 0.00 0.00 54.58 53.47 2k60 n ASN 80 Cb 0.43 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.85 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 -0.05 1.22 2.80 4.83 0.00 -1.26 -5.03 105.19 107.69 2k60 n GLY 81 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 0.18 -0.38 1.61 1.47 -1.26 -2.27 116.67 114.24 2k60 s ASP 82 Ca 0.00 0.01 -0.25 0.00 1.18 0.00 0.00 52.55 53.49 2k60 s ASP 82 Cb 0.00 -0.11 0.02 0.00 -0.34 0.00 0.00 42.92 42.48 2k60 s ASP 82 CO 0.00 -0.11 0.89 -0.69 0.68 0.00 0.00 175.17 175.94 2k60 s VAL 83 N 0.95 4.60 0.63 2.11 1.01 0.21 -4.82 120.40 125.09 2k60 s VAL 83 Ca -0.08 1.04 -0.11 0.00 0.00 0.00 0.00 61.98 62.83 2k60 s VAL 83 Cb -0.12 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 2k60 s VAL 83 CO -0.02 -0.56 1.03 -0.62 0.00 0.00 0.00 175.10 174.93 2k60 s ASP 84 N 1.93 6.15 0.38 3.32 2.15 -1.26 -2.15 116.67 127.19 2k60 s ASP 84 Ca 0.36 1.44 0.09 0.00 0.43 0.00 0.00 52.55 54.87 2k60 s ASP 84 Cb -0.12 -2.47 0.75 0.00 -0.30 0.00 0.00 42.92 40.78 2k60 s ASP 84 CO 0.19 -0.93 1.90 -0.37 -0.17 0.00 0.00 175.17 175.80 2k60 h VAL 85 N -0.36 1.19 0.19 1.11 -1.51 -1.96 -1.32 116.25 113.59 2k60 h VAL 85 Ca -0.44 -0.84 -0.30 0.00 -1.23 0.00 0.00 66.70 63.89 2k60 h VAL 85 Cb 1.19 1.24 0.02 0.00 -2.13 0.00 0.00 31.29 31.61 2k60 h VAL 85 CO 0.61 0.26 -1.36 -0.33 -1.23 0.00 0.00 177.57 175.52 2k60 h GLU 86 N 0.23 0.39 -0.32 5.19 5.08 -1.98 -3.03 114.58 120.14 2k60 h GLU 86 Ca 0.05 -0.67 -0.00 0.00 -1.00 0.00 0.00 59.36 57.73 2k60 h GLU 86 Cb 0.40 0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 2k60 h GLU 86 CO 0.02 1.32 0.19 0.93 -1.00 0.00 0.00 179.01 180.48 2k60 h GLU 87 N 0.11 0.43 -0.00 2.33 5.08 -1.79 -2.33 114.58 118.41 2k60 h GLU 87 Ca -0.19 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2k60 h GLU 87 Cb 2.07 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.22 2k60 h GLU 87 CO 0.24 0.33 -0.00 -1.13 -1.00 0.00 0.00 179.01 177.44 2k60 n SER 88 N -4.83 0.40 -0.20 1.42 3.41 -0.53 -4.45 113.62 108.84 2k60 n SER 88 Ca -0.01 -1.10 -0.06 0.00 -0.26 0.00 0.00 58.87 57.44 2k60 n SER 88 Cb 0.05 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 63.94 2k60 n SER 88 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2k60 h ASP 89 N 0.63 -1.13 0.41 4.04 1.82 -1.28 0.12 116.42 121.03 2k60 h ASP 89 Ca 0.00 0.17 -0.31 0.00 -0.39 0.00 0.00 57.03 56.50 2k60 h ASP 89 Cb 0.15 0.49 0.01 0.00 0.68 0.00 0.00 39.33 40.66 2k60 h ASP 89 CO 0.00 -0.14 -1.48 -0.08 -1.61 0.00 0.00 179.24 175.93 2k60 h GLU 90 N -0.04 0.35 0.00 0.28 4.81 -1.83 -3.39 114.58 114.75 2k60 h GLU 90 Ca 0.08 -0.59 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 2k60 h GLU 90 Cb 0.24 0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.84 2k60 h GLU 90 CO -0.47 1.25 0.00 1.19 -0.73 0.00 0.00 179.01 180.25 2k60 n PHE 91 N -3.56 0.00 -0.25 0.92 3.01 -0.47 -1.69 117.46 115.43 2k60 n PHE 91 Ca -0.16 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.33 2k60 n PHE 91 Cb 1.06 -0.50 0.15 0.00 -0.01 0.00 0.00 39.48 40.19 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 0.39 -0.00 4.37 5.85 -1.05 0.53 115.31 125.40 2k60 h LEU 92 Ca 0.00 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.81 2k60 h LEU 92 Cb 0.00 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 2k60 h LEU 92 CO 0.00 0.20 -0.38 0.03 -0.34 0.00 0.00 178.44 177.95 2k60 h ARG 93 N 0.54 -0.46 0.00 1.25 3.08 -1.67 -2.00 114.38 115.12 2k60 h ARG 93 Ca 0.37 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.43 2k60 h ARG 93 Cb 0.46 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 2k60 h ARG 93 CO -0.32 -0.30 -0.10 0.93 -1.07 0.00 0.00 179.97 179.11 2k60 h GLU 94 N -0.47 0.00 -1.13 0.04 5.08 -0.88 0.41 114.58 117.63 2k60 h GLU 94 Ca 0.01 0.00 0.32 0.00 -1.00 0.00 0.00 59.36 58.69 2k60 h GLU 94 Cb 0.51 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.65 2k60 h GLU 94 CO -0.26 0.95 0.73 -0.44 -1.00 0.00 0.00 179.01 179.00 2k60 h ASP 95 N -1.00 0.37 0.00 1.42 5.19 0.10 -1.39 116.42 121.10 2k60 h ASP 95 Ca -0.03 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 2k60 h ASP 95 Cb 0.98 0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.54 2k60 h ASP 95 CO -0.02 -0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.10 2k60 n LEU 96 N -4.64 0.00 -0.66 1.55 -0.00 -0.80 -3.87 117.00 108.58 2k60 n LEU 96 Ca 0.29 0.00 0.09 0.00 -0.00 0.00 0.00 56.01 56.39 2k60 n LEU 96 Cb 1.06 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 44.54 2k60 n LEU 96 CO 0.24 0.01 0.49 0.59 -0.00 0.00 0.00 177.39 178.72 2k60 n ASN 97 N 0.00 2.36 -0.60 1.45 5.03 -0.18 -4.68 115.26 118.65 2k60 n ASN 97 Ca 0.00 -1.68 -0.05 0.00 0.87 0.00 0.00 54.58 53.72 2k60 n ASN 97 Cb 0.11 0.07 -0.02 0.00 -1.02 0.00 0.00 39.78 38.92 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 0.83 -0.19 0.00 3.10 4.11 0.13 -3.99 117.16 121.15 2k60 n TYR 98 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.00 2k60 n TYR 98 Cb 0.43 -1.82 0.00 0.00 -0.00 0.00 0.00 39.34 37.95 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 -1.01 -3.83 -3.48 -0.00 -0.90 -4.86 115.22 99.71 2k60 n HIS 99 Ca -0.05 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.55 2k60 n HIS 99 Cb 0.33 0.20 -0.10 0.00 -0.00 0.00 0.00 29.99 30.42 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 0.02 -0.09 0.00 0.26 2.15 -1.26 -4.41 116.67 113.35 2k60 s ASP 100 Ca 0.00 0.03 0.00 0.00 0.43 0.00 0.00 52.55 53.01 2k60 s ASP 100 Cb 0.00 0.30 0.00 0.00 -0.30 0.00 0.00 42.92 42.92 2k60 s ASP 100 CO 0.00 -0.31 0.00 -0.81 -0.17 0.00 0.00 175.17 173.88 2k60 n PRO 101 N 1.81 0.00 0.00 4.34 -0.04 -1.26 -4.80 135.00 135.04 2k60 n PRO 101 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2k60 n PRO 101 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 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 0.30 0.52 -1.04 -1.26 -4.21 114.28 108.59 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 0.24 -0.40 12.58 2.07 -1.98 -0.70 116.25 128.06 2k60 h VAL 103 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 2k60 h VAL 103 Cb 0.00 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 2k60 h VAL 103 CO 0.00 0.00 0.07 0.11 0.02 0.00 0.00 177.57 177.77 2k60 h LYS 104 N -0.87 0.60 0.70 1.57 1.79 -1.95 0.33 116.57 118.73 2k60 h LYS 104 Ca -0.06 -0.11 -0.03 0.00 -2.18 0.00 0.00 60.65 58.27 2k60 h LYS 104 Cb 0.73 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.28 2k60 h LYS 104 CO 0.02 0.57 -0.41 0.45 -1.08 0.00 0.00 179.45 179.01 2k60 h HIS 105 N 0.58 -1.07 0.00 -1.35 3.86 -1.78 -0.80 115.15 114.59 2k60 h HIS 105 Ca 0.13 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.31 2k60 h HIS 105 Cb 0.26 0.38 -0.00 0.00 1.06 0.00 0.00 27.41 29.10 2k60 h HIS 105 CO 0.01 -0.62 -0.10 0.77 0.86 0.00 0.00 177.93 178.85 2k60 h SER 106 N -1.03 0.00 -0.33 2.45 0.02 -0.92 -1.60 113.55 112.14 2k60 h SER 106 Ca -0.09 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.71 2k60 h SER 106 Cb 0.82 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.36 2k60 h SER 106 CO 0.10 0.10 -0.37 0.74 -1.14 0.00 0.00 176.83 176.27 2k60 h THR 107 N 0.00 1.28 0.19 -2.27 2.02 -0.25 -2.04 112.91 111.85 2k60 h THR 107 Ca -0.00 -1.54 -0.01 0.00 0.77 0.00 0.00 66.41 65.63 2k60 h THR 107 Cb 0.97 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 2k60 h THR 107 CO 0.01 0.51 -0.09 0.15 0.37 0.00 0.00 175.52 176.47 2k60 h PHE 108 N 0.62 -0.24 0.02 3.16 3.57 -0.91 -3.42 116.94 119.74 2k60 h PHE 108 Ca 0.05 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 2k60 h PHE 108 Cb 0.95 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.77 2k60 h PHE 108 CO 0.07 -0.15 -0.01 1.25 -2.23 0.00 0.00 178.31 177.24 2k60 h HIS 109 N -0.80 -0.02 0.00 0.41 2.76 -1.44 -3.50 115.15 112.56 2k60 h HIS 109 Ca -0.03 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 2k60 h HIS 109 Cb 0.20 0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.17 2k60 h HIS 109 CO 0.02 0.14 0.00 0.41 -1.30 0.00 0.00 177.93 177.19 2k60 n GLY 110 N 1.68 1.35 0.10 5.26 0.00 -0.77 -4.67 105.19 108.15 2k60 n GLY 110 Ca -0.02 -0.48 -0.01 0.00 0.00 0.00 0.00 46.02 45.51 2k60 n GLY 110 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2k60 h GLU 111 N 0.00 0.00 -6.53 1.61 4.81 -1.92 -3.39 114.58 109.16 2k60 h GLU 111 Ca 0.00 0.00 -0.45 0.00 -0.13 0.00 0.00 59.36 58.78 2k60 h GLU 111 Cb 0.00 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.40 2k60 h GLU 111 CO 0.00 0.37 -0.21 0.34 -0.73 0.00 0.00 179.01 178.78 2k60 s ASP 112 N -5.96 5.82 0.00 1.04 -1.08 -1.26 -5.03 116.67 110.20 2k60 s ASP 112 Ca -0.02 -0.01 0.00 0.00 -0.52 0.00 0.00 52.55 52.01 2k60 s ASP 112 Cb 0.08 -1.26 0.00 0.00 -1.46 0.00 0.00 42.92 40.28 2k60 s ASP 112 CO 0.80 -0.64 0.71 0.29 0.52 0.00 0.00 175.17 176.85 2k60 n LYS 113 N -1.90 1.34 -2.73 4.34 4.76 -1.26 -4.29 118.16 118.42 2k60 n LYS 113 Ca 0.02 -0.94 -0.40 0.00 -2.87 0.00 0.00 58.31 54.11 2k60 n LYS 113 Cb 0.58 -0.77 -0.05 0.00 -1.84 0.00 0.00 35.03 32.95 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 -0.47 4.58 -0.10 -0.35 1.43 -1.26 -4.70 118.68 117.81 2k60 s LEU 114 Ca 0.00 1.90 -0.01 0.00 -1.03 0.00 0.00 54.13 54.99 2k60 s LEU 114 Cb 0.00 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.59 2k60 s LEU 114 CO 0.00 0.05 -0.03 -0.63 0.23 0.00 0.00 176.35 175.97 2k60 s ILE 115 N -0.70 4.00 0.04 -0.59 -1.09 -0.91 -4.53 121.20 117.41 2k60 s ILE 115 Ca 0.44 -0.35 0.05 0.00 -2.23 0.00 0.00 60.65 58.55 2k60 s ILE 115 Cb -0.25 -2.68 -0.02 0.00 -1.58 0.00 0.00 42.46 37.92 2k60 s ILE 115 CO 0.32 0.57 -0.14 -0.44 -1.23 0.00 0.00 174.94 174.02 2k60 s SER 116 N -0.53 1.64 0.16 3.58 0.01 -1.26 0.66 113.70 117.96 2k60 s SER 116 Ca 0.08 -0.45 -0.10 0.00 1.31 0.00 0.00 55.95 56.79 2k60 s SER 116 Cb -0.12 -0.11 -0.01 0.00 0.21 0.00 0.00 66.02 66.00 2k60 s SER 116 CO 0.02 0.04 1.53 -0.37 0.41 0.00 0.00 173.24 174.87 2k60 h VAL 117 N 4.52 1.27 -0.38 3.43 -1.51 -1.85 -0.53 116.25 121.20 2k60 h VAL 117 Ca -0.38 -1.43 -0.15 0.00 -1.23 0.00 0.00 66.70 63.52 2k60 h VAL 117 Cb 1.18 1.18 -0.01 0.00 -2.13 0.00 0.00 31.29 31.51 2k60 h VAL 117 CO 0.44 0.49 -0.34 1.05 -1.23 0.00 0.00 177.57 177.98 2k60 h GLU 118 N 0.85 0.90 0.00 5.19 4.11 -1.97 0.22 114.58 123.87 2k60 h GLU 118 Ca 0.10 -0.46 -0.00 0.00 0.07 0.00 0.00 59.36 59.06 2k60 h GLU 118 Cb 0.84 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 2k60 h GLU 118 CO 0.07 1.11 -0.01 -0.44 0.07 0.00 0.00 179.01 179.81 2k60 h ASP 119 N 0.71 0.00 -0.43 3.06 5.19 -1.94 -1.20 116.42 121.81 2k60 h ASP 119 Ca 0.06 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.34 2k60 h ASP 119 Cb 0.93 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.43 2k60 h ASP 119 CO 0.09 0.01 -0.26 -0.07 -3.12 0.00 0.00 179.24 175.89 2k60 h LEU 120 N 0.00 0.99 -0.15 1.55 3.38 -0.79 0.18 115.31 120.47 2k60 h LEU 120 Ca -0.00 -0.39 0.05 0.00 0.09 0.00 0.00 57.88 57.62 2k60 h LEU 120 Cb 0.92 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 2k60 h LEU 120 CO 0.00 1.18 -0.17 -0.25 0.09 0.00 0.00 178.44 179.29 2k60 h TRP 121 N 0.81 -0.44 -0.33 1.13 7.01 -0.36 0.50 115.95 124.28 2k60 h TRP 121 Ca 0.10 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.17 2k60 h TRP 121 Cb 0.84 0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 28.07 2k60 h TRP 121 CO 0.05 -0.24 0.08 0.87 -2.79 0.00 0.00 178.44 176.41 2k60 h LYS 122 N -0.21 0.20 0.22 2.65 6.56 -1.04 -1.64 116.57 123.31 2k60 h LYS 122 Ca 0.10 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.67 2k60 h LYS 122 Cb 0.36 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.97 2k60 h LYS 122 CO -0.27 0.13 -0.10 0.00 -2.06 0.00 0.00 179.45 177.15 2k60 h ALA 123 N 1.23 -0.29 -0.61 3.86 0.00 -0.22 -2.74 119.26 120.49 2k60 h ALA 123 Ca 0.15 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.01 2k60 h ALA 123 Cb 0.15 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 2k60 h ALA 123 CO -0.19 -0.58 0.27 2.35 0.00 0.00 0.00 179.25 181.11 2k60 h TRP 124 N -0.47 0.48 0.00 0.00 7.01 0.08 0.31 115.95 123.36 2k60 h TRP 124 Ca -0.03 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.98 2k60 h TRP 124 Cb 0.35 -0.12 -0.00 0.00 -2.10 0.00 0.00 29.16 27.29 2k60 h TRP 124 CO -0.01 0.17 -0.10 0.87 -2.79 0.00 0.00 178.44 176.57 2k60 h LYS 125 N 0.49 0.00 -0.06 2.65 1.57 -1.27 -1.88 116.57 118.07 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 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2k60 h LYS 125 CO -0.26 0.10 0.00 0.45 -0.57 0.00 0.00 179.45 179.18 2k60 n SER 126 N -3.64 2.73 -5.01 0.86 2.88 0.20 -4.79 113.62 106.85 2k60 n SER 126 Ca -0.02 -1.85 -0.17 0.00 -1.33 0.00 0.00 58.87 55.50 2k60 n SER 126 Cb 0.22 -0.02 0.01 0.00 -0.75 0.00 0.00 64.21 63.67 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 -1.64 5.66 0.37 -3.46 0.01 0.83 -5.00 113.70 110.47 2k60 s SER 127 Ca 0.24 -0.42 0.09 0.00 1.31 0.00 0.00 55.95 57.18 2k60 s SER 127 Cb 0.17 -0.67 0.71 0.00 0.21 0.00 0.00 66.02 66.44 2k60 s SER 127 CO 0.25 -0.75 1.87 -0.33 0.41 0.00 0.00 173.24 174.69 2k60 h GLU 128 N 0.65 0.23 -0.59 12.44 4.39 -1.87 -3.08 114.58 126.75 2k60 h GLU 128 Ca -0.40 -0.06 0.12 0.00 0.34 0.00 0.00 59.36 59.36 2k60 h GLU 128 Cb 1.28 -0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 29.80 2k60 h GLU 128 CO 0.45 0.43 -0.02 -0.24 -1.16 0.00 0.00 179.01 178.47 2k60 h VAL 129 N 0.22 0.50 0.00 3.13 3.04 -1.85 -1.34 116.25 119.94 2k60 h VAL 129 Ca 0.04 -0.03 -0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2k60 h VAL 129 Cb 0.47 0.39 -0.00 0.00 -2.01 0.00 0.00 31.29 30.14 2k60 h VAL 129 CO 0.03 0.02 -0.01 0.22 -1.01 0.00 0.00 177.57 176.82 2k60 h TYR 130 N 0.10 0.00 0.00 3.17 3.20 -1.53 -2.86 116.97 119.05 2k60 h TYR 130 Ca 0.31 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.09 2k60 h TYR 130 Cb 0.49 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 2k60 h TYR 130 CO -0.37 0.01 -0.94 -0.97 -1.64 0.00 0.00 178.16 174.25 2k60 h ASN 131 N 0.00 0.00 -2.40 -2.11 -1.24 -1.39 -3.41 115.58 105.03 2k60 h ASN 131 Ca -0.00 0.00 -0.54 0.00 0.71 0.00 0.00 56.30 56.47 2k60 h ASN 131 Cb 0.76 0.00 0.03 0.00 0.73 0.00 0.00 38.32 39.84 2k60 h ASN 131 CO 0.00 0.32 1.15 0.79 -1.29 0.00 0.00 177.43 178.40 2k60 n TRP 132 N -2.92 2.55 -1.53 0.67 8.01 -0.61 -4.92 117.44 118.69 2k60 n TRP 132 Ca -0.03 -0.22 -0.15 0.00 -1.31 0.00 0.00 57.50 55.80 2k60 n TRP 132 Cb 0.69 -2.75 0.10 0.00 -2.01 0.00 0.00 31.31 27.34 2k60 n TRP 132 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.69 174.31 2k60 n THR 133 N 5.03 0.00 -0.23 -0.99 5.66 -1.26 -1.50 114.28 120.99 2k60 n THR 133 Ca 0.19 -0.52 -0.06 0.00 -3.05 0.00 0.00 64.05 60.62 2k60 n THR 133 Cb 0.38 -1.71 0.05 0.00 -1.55 0.00 0.00 70.33 67.49 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 -1.34 1.18 -0.86 1.08 2.07 -1.94 -0.93 116.25 115.50 2k60 h VAL 134 Ca -0.22 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 2k60 h VAL 134 Cb 0.61 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 2k60 h VAL 134 CO 0.16 0.18 0.44 0.44 0.02 0.00 0.00 177.57 178.80 2k60 h ASP 135 N 0.89 1.10 -0.25 0.57 5.19 -1.93 0.61 116.42 122.60 2k60 h ASP 135 Ca 0.24 -0.12 -0.09 0.00 -0.62 0.00 0.00 57.03 56.44 2k60 h ASP 135 Cb -0.07 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.15 2k60 h ASP 135 CO -0.05 0.91 -0.21 -0.33 -3.12 0.00 0.00 179.24 176.44 2k60 h GLU 136 N 1.22 0.58 -0.24 3.56 4.39 -1.78 -1.51 114.58 120.80 2k60 h GLU 136 Ca 0.30 -0.29 -0.10 0.00 0.34 0.00 0.00 59.36 59.61 2k60 h GLU 136 Cb 0.08 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 2k60 h GLU 136 CO -0.04 0.88 -0.28 -0.24 -1.16 0.00 0.00 179.01 178.17 2k60 h VAL 137 N 0.29 1.27 0.20 3.13 3.04 -0.93 -0.19 116.25 123.07 2k60 h VAL 137 Ca 0.04 -1.31 -0.01 0.00 -1.01 0.00 0.00 66.70 64.41 2k60 h VAL 137 Cb 0.75 1.39 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 2k60 h VAL 137 CO 0.05 0.41 -0.10 0.58 -1.01 0.00 0.00 177.57 177.51 2k60 h VAL 138 N 0.41 0.81 0.00 1.51 2.07 -0.72 0.48 116.25 120.81 2k60 h VAL 138 Ca 0.06 -0.02 -0.09 0.00 0.82 0.00 0.00 66.70 67.47 2k60 h VAL 138 Cb 0.70 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2k60 h VAL 138 CO 0.05 0.00 -0.42 0.06 0.02 0.00 0.00 177.57 177.29 2k60 h GLN 139 N -0.28 0.00 -0.04 1.57 3.07 -1.07 -1.49 115.11 116.87 2k60 h GLN 139 Ca -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.69 2k60 h GLN 139 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.77 2k60 h GLN 139 CO 0.04 0.42 -0.06 2.35 0.09 0.00 0.00 178.83 181.68 2k60 h TRP 140 N 0.00 0.14 -0.42 0.06 2.91 -0.64 -0.26 115.95 117.74 2k60 h TRP 140 Ca -0.00 -0.05 -0.07 0.00 1.13 0.00 0.00 58.89 59.90 2k60 h TRP 140 Cb 0.75 -0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 29.35 2k60 h TRP 140 CO 0.00 0.61 -0.04 1.37 -1.03 0.00 0.00 178.44 179.35 2k60 h LEU 141 N -0.37 0.68 -0.03 0.65 8.10 0.16 0.11 115.31 124.60 2k60 h LEU 141 Ca 0.00 -0.17 -0.17 0.00 0.11 0.00 0.00 57.88 57.66 2k60 h LEU 141 Cb 0.59 -0.18 0.01 0.00 -0.44 0.00 0.00 40.66 40.65 2k60 h LEU 141 CO 0.01 0.77 -0.65 0.16 -4.11 0.00 0.00 178.44 174.62 2k60 h ILE 142 N 0.66 1.39 0.00 0.15 3.07 -1.25 0.42 117.51 121.94 2k60 h ILE 142 Ca 0.13 -2.05 -0.02 0.00 1.55 0.00 0.00 64.86 64.47 2k60 h ILE 142 Cb 0.46 2.46 -0.00 0.00 -0.27 0.00 0.00 36.82 39.47 2k60 h ILE 142 CO 0.02 0.61 -0.10 0.00 -1.05 0.00 0.00 178.15 177.63 2k60 h THR 143 N 0.04 0.24 0.00 0.16 1.03 -0.75 0.15 112.91 113.78 2k60 h THR 143 Ca -0.07 -0.87 -0.27 0.00 -0.01 0.00 0.00 66.41 65.19 2k60 h THR 143 Cb 1.34 1.71 -0.04 0.00 -1.07 0.00 0.00 68.15 70.09 2k60 h THR 143 CO 0.13 0.10 -1.84 -1.22 -0.01 0.00 0.00 175.52 172.68 2k60 n TYR 144 N -3.21 0.00 0.07 0.00 4.01 0.34 -4.63 117.16 113.74 2k60 n TYR 144 Ca 0.01 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.70 2k60 n TYR 144 Cb 0.40 -0.60 -0.09 0.00 -0.31 0.00 0.00 39.34 38.74 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 -0.64 1.34 -4.46 -0.72 2.07 -0.34 -3.47 116.25 110.03 2k60 h VAL 145 Ca -0.40 -2.97 -0.33 0.00 0.82 0.00 0.00 66.70 63.82 2k60 h VAL 145 Cb 1.31 2.65 0.09 0.00 -1.52 0.00 0.00 31.29 33.81 2k60 h VAL 145 CO -0.24 0.76 -0.53 -0.62 0.02 0.00 0.00 177.57 176.95 2k60 n GLU 146 N -3.25 -5.50 -3.66 1.57 1.02 0.04 -4.98 120.64 105.88 2k60 n GLU 146 Ca -0.02 0.71 -0.39 0.00 -0.02 0.00 0.00 57.16 57.44 2k60 n GLU 146 Cb 0.90 -5.28 -0.11 0.00 -0.02 0.00 0.00 31.44 26.93 2k60 n GLU 146 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2k60 s LEU 147 N -5.93 4.83 -0.04 -4.62 1.98 -1.24 -4.98 118.68 108.68 2k60 s LEU 147 Ca 0.38 -1.36 0.00 0.00 -2.89 0.00 0.00 54.13 50.27 2k60 s LEU 147 Cb -0.17 -1.94 0.06 0.00 0.66 0.00 0.00 46.19 44.80 2k60 s LEU 147 CO 0.47 -0.45 1.04 -2.65 -1.89 0.00 0.00 176.35 172.87 2k60 n PRO 148 N 4.87 1.13 -0.10 0.98 -0.02 -1.26 -3.92 135.00 136.68 2k60 n PRO 148 Ca -0.11 -0.27 0.11 0.00 -2.02 0.00 0.00 63.50 61.22 2k60 n PRO 148 Cb 0.44 -1.14 0.32 0.00 -0.02 0.00 0.00 33.50 33.09 2k60 n PRO 148 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k60 n GLN 149 N 0.33 1.98 -0.33 -0.52 0.00 -1.26 -4.34 117.38 113.24 2k60 n GLN 149 Ca 0.05 -1.46 0.05 0.00 0.00 0.00 0.00 57.00 55.63 2k60 n GLN 149 Cb 0.58 -1.44 0.20 0.00 0.00 0.00 0.00 30.24 29.59 2k60 n GLN 149 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.06 177.16 2k60 h TYR 150 N 2.99 1.02 0.37 2.61 -0.00 -1.96 -1.04 116.97 120.96 2k60 h TYR 150 Ca 0.00 0.03 -0.00 0.00 -0.00 0.00 0.00 58.73 58.76 2k60 h TYR 150 Cb 0.65 -0.32 -0.03 0.00 -0.00 0.00 0.00 36.73 37.04 2k60 h TYR 150 CO 0.13 0.42 -0.44 1.49 -0.00 0.00 0.00 178.16 179.76 2k60 h GLU 151 N 0.92 -0.81 0.24 0.10 4.57 -1.94 0.30 114.58 117.96 2k60 h GLU 151 Ca 0.45 0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.67 2k60 h GLU 151 Cb 0.40 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 2k60 h GLU 151 CO -0.25 -0.54 -0.12 0.93 -1.18 0.00 0.00 179.01 177.85 2k60 h GLU 152 N -0.84 -0.32 -0.58 1.92 3.07 -1.79 -1.28 114.58 114.76 2k60 h GLU 152 Ca -0.03 0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 58.77 2k60 h GLU 152 Cb 0.77 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.72 2k60 h GLU 152 CO -0.10 -0.06 0.06 0.00 -1.40 0.00 0.00 179.01 177.51 2k60 h THR 153 N -0.55 1.25 -0.19 1.13 1.03 -1.04 0.18 112.91 114.72 2k60 h THR 153 Ca -0.03 -1.02 -0.15 0.00 -0.01 0.00 0.00 66.41 65.19 2k60 h THR 153 Cb 0.40 0.75 -0.01 0.00 -1.07 0.00 0.00 68.15 68.23 2k60 h THR 153 CO 0.05 0.37 -0.51 2.19 -0.01 0.00 0.00 175.52 177.62 2k60 h PHE 154 N 0.89 0.65 0.00 0.00 -5.15 -0.38 0.93 116.94 113.88 2k60 h PHE 154 Ca 0.18 -0.22 -0.11 0.00 -0.20 0.00 0.00 57.97 57.62 2k60 h PHE 154 Cb 0.45 -0.13 -0.02 0.00 0.22 0.00 0.00 35.95 36.47 2k60 h PHE 154 CO 0.03 0.93 -0.50 0.07 -2.00 0.00 0.00 178.31 176.83 2k60 h ARG 155 N 0.41 0.00 0.00 6.09 0.11 -0.60 0.61 114.38 121.01 2k60 h ARG 155 Ca 0.02 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.10 2k60 h ARG 155 Cb 1.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.11 2k60 h ARG 155 CO 0.09 0.50 -0.00 0.87 0.10 0.00 0.00 179.97 181.54 2k60 h LYS 156 N 0.00 -0.00 0.00 0.08 1.79 -0.29 -3.43 116.57 114.72 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 1.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 2k60 h LYS 156 CO 0.07 0.91 -0.47 1.47 -1.08 0.00 0.00 179.45 180.35 2k60 n LEU 157 N -4.65 0.00 -2.69 2.94 -0.00 0.29 -5.08 117.00 107.81 2k60 n LEU 157 Ca -0.10 -0.21 -0.04 0.00 -0.00 0.00 0.00 56.01 55.66 2k60 n LEU 157 Cb 0.44 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.83 2k60 n LEU 157 CO 0.33 0.00 -0.57 0.00 -0.00 0.00 0.00 177.39 177.15 2k60 n GLN 158 N -1.12 -3.98 -3.45 1.47 6.02 0.21 -5.02 117.38 111.50 2k60 n GLN 158 Ca 0.00 3.06 -0.23 0.00 -0.01 0.00 0.00 57.00 59.82 2k60 n GLN 158 Cb 0.00 -4.54 -0.01 0.00 1.02 0.00 0.00 30.24 26.71 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 -0.75 4.04 0.00 1.08 2.34 -1.26 -4.90 118.68 119.23 2k60 s LEU 159 Ca -0.21 0.37 0.00 0.00 0.06 0.00 0.00 54.13 54.35 2k60 s LEU 159 Cb 0.01 -3.22 0.00 0.00 -0.56 0.00 0.00 46.19 42.42 2k60 s LEU 159 CO 0.69 -0.29 0.00 -1.54 -1.06 0.00 0.00 176.35 174.15 2k60 n SER 160 N -1.74 0.00 0.29 1.48 3.41 -1.26 -3.57 113.62 112.23 2k60 n SER 160 Ca -0.05 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.71 2k60 n SER 160 Cb 0.56 0.00 0.89 0.00 -0.26 0.00 0.00 64.21 65.41 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 1.08 5.00 0.00 -1.34 0.18 103.07 107.99 2k60 h GLY 161 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 2k60 h GLY 161 CO 0.00 0.00 -1.46 1.12 0.00 0.00 0.00 176.54 176.20 2k60 h HIS 162 N 0.00 0.00 0.00 5.60 -0.00 -1.84 -3.32 115.15 115.59 2k60 h HIS 162 Ca -0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 60.37 60.22 2k60 h HIS 162 Cb 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.41 2k60 h HIS 162 CO 0.00 0.75 -0.69 0.00 -0.00 0.00 0.00 177.93 177.99 2k60 h ALA 163 N 1.25 0.85 -0.36 6.11 0.00 -1.56 -2.08 119.26 123.47 2k60 h ALA 163 Ca -0.19 -0.63 0.06 0.00 0.00 0.00 0.00 54.91 54.15 2k60 h ALA 163 Cb 1.74 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 19.34 2k60 h ALA 163 CO 0.06 0.87 -0.43 0.52 0.00 0.00 0.00 179.25 180.27 2k60 h MET 164 N 0.00 -0.34 -0.22 0.00 2.86 -0.80 0.58 114.93 117.01 2k60 h MET 164 Ca -0.01 0.02 -0.18 0.00 -2.06 0.00 0.00 59.70 57.47 2k60 h MET 164 Cb 1.23 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.97 2k60 h MET 164 CO 0.09 -0.23 -0.60 -1.00 1.06 0.00 0.00 176.91 176.23 2k60 h PRO 165 N -0.36 0.72 -0.00 -0.22 0.13 -1.74 -1.93 132.00 128.61 2k60 h PRO 165 Ca 0.12 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2k60 h PRO 165 Cb 0.59 0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.79 2k60 h PRO 165 CO -0.55 1.11 0.00 0.07 -0.23 0.00 0.00 178.00 178.41 2k60 h ARG 166 N 0.54 0.00 0.00 0.86 -0.00 -0.61 -1.42 114.38 113.76 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 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.16 2k60 h ARG 166 CO 0.12 0.00 -1.15 1.47 -0.00 0.00 0.00 179.97 180.41 2k60 n LEU 167 N -4.15 0.60 0.03 0.08 -0.00 0.20 -4.25 117.00 109.51 2k60 n LEU 167 Ca -0.03 -0.11 0.09 0.00 -0.00 0.00 0.00 56.01 55.96 2k60 n LEU 167 Cb 0.09 -0.07 0.38 0.00 -0.00 0.00 0.00 43.42 43.82 2k60 n LEU 167 CO 0.30 0.08 0.78 0.00 -0.00 0.00 0.00 177.39 178.55 2k60 n ALA 168 N -1.82 1.73 -4.04 1.47 0.00 -0.53 -4.42 120.51 112.88 2k60 n ALA 168 Ca 0.02 -0.02 -0.33 0.00 0.00 0.00 0.00 53.44 53.10 2k60 n ALA 168 Cb 0.43 -1.30 -0.16 0.00 0.00 0.00 0.00 19.45 18.43 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 -3.08 2.22 0.24 0.00 0.11 -1.24 -4.51 120.40 114.15 2k60 s VAL 169 Ca 0.07 -1.03 0.00 0.00 -2.93 0.00 0.00 61.98 58.09 2k60 s VAL 169 Cb 0.10 -2.01 0.00 0.00 -1.53 0.00 0.00 36.38 32.94 2k60 s VAL 169 CO 0.32 0.42 0.00 0.35 -3.33 0.00 0.00 175.10 172.86 2k60 n THR 170 N 4.60 -8.02 0.08 5.04 -2.24 -1.26 -4.43 114.28 108.05 2k60 n THR 170 Ca -0.19 2.52 0.12 0.00 -2.27 0.00 0.00 64.05 64.23 2k60 n THR 170 Cb 0.49 -3.74 0.60 0.00 -2.10 0.00 0.00 70.33 65.58 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 3.58 0.14 -0.89 3.42 -1.07 -1.84 -1.56 115.58 117.37 2k60 h ASN 171 Ca 0.00 0.00 0.16 0.00 0.07 0.00 0.00 56.30 56.53 2k60 h ASN 171 Cb 0.00 -0.03 -0.07 0.00 -2.07 0.00 0.00 38.32 36.15 2k60 h ASN 171 CO 0.00 0.09 0.57 0.74 0.07 0.00 0.00 177.43 178.90 2k60 h THR 172 N 0.16 0.79 -0.44 6.14 2.02 -1.87 0.18 112.91 119.90 2k60 h THR 172 Ca 0.16 -0.21 -0.12 0.00 0.77 0.00 0.00 66.41 67.01 2k60 h THR 172 Cb 0.42 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 2k60 h THR 172 CO -0.02 0.11 -0.20 0.74 0.37 0.00 0.00 175.52 176.52 2k60 h THR 173 N 0.61 1.27 0.00 3.16 2.02 -1.49 -3.29 112.91 115.19 2k60 h THR 173 Ca 0.45 -1.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.30 2k60 h THR 173 Cb 0.83 1.15 -0.00 0.00 -1.74 0.00 0.00 68.15 68.39 2k60 h THR 173 CO -0.20 0.45 -0.05 -0.03 0.37 0.00 0.00 175.52 176.06 2k60 h MET 174 N 0.76 0.00 -6.43 6.66 1.85 -1.36 -3.46 114.93 112.94 2k60 h MET 174 Ca 0.11 0.00 -0.54 0.00 -0.61 0.00 0.00 59.70 58.66 2k60 h MET 174 Cb 0.74 0.00 0.02 0.00 0.43 0.00 0.00 31.60 32.78 2k60 h MET 174 CO 0.06 0.38 0.97 -0.08 -0.40 0.00 0.00 176.91 177.84 2k60 s THR 175 N -1.84 3.19 0.00 -0.77 -1.32 0.53 -4.82 115.64 110.62 2k60 s THR 175 Ca -0.08 0.61 0.08 0.00 -1.21 0.00 0.00 61.69 61.10 2k60 s THR 175 Cb -0.01 -3.39 0.14 0.00 -1.51 0.00 0.00 72.50 67.73 2k60 s THR 175 CO 0.27 -0.00 0.97 0.61 -2.21 0.00 0.00 174.62 174.26 2k60 n GLY 176 N 3.93 0.74 3.10 6.08 0.00 -1.26 -4.80 105.19 112.98 2k60 n GLY 176 Ca 0.15 -0.28 -0.03 0.00 0.00 0.00 0.00 46.02 45.87 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 0.16 0.00 -2.21 2.61 -1.04 -1.26 -5.06 114.28 107.48 2k60 n THR 177 Ca -0.02 -0.48 -0.33 0.00 -2.04 0.00 0.00 64.05 61.19 2k60 n THR 177 Cb 0.81 0.63 -0.04 0.00 -1.82 0.00 0.00 70.33 69.92 2k60 n THR 177 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2k60 s VAL 178 N -2.17 3.57 -0.21 12.58 0.11 -1.26 -4.68 120.40 128.35 2k60 s VAL 178 Ca 0.18 -0.35 -0.07 0.00 -2.93 0.00 0.00 61.98 58.81 2k60 s VAL 178 Cb -0.02 -4.32 -0.20 0.00 -1.53 0.00 0.00 36.38 30.31 2k60 s VAL 178 CO 0.05 -1.25 0.02 0.18 -3.33 0.00 0.00 175.10 170.76 2k60 n LEU 179 N 12.24 2.53 -3.65 2.54 4.32 -1.26 -4.97 117.00 128.75 2k60 n LEU 179 Ca 0.33 0.14 -0.03 0.00 -0.02 0.00 0.00 56.01 56.44 2k60 n LEU 179 Cb 0.49 -0.98 -0.07 0.00 -1.62 0.00 0.00 43.42 41.24 2k60 n LEU 179 CO 0.64 0.76 1.09 -0.75 -1.22 0.00 0.00 177.39 177.90 2k60 s LYS 180 N -2.51 0.11 0.07 3.23 2.47 -1.26 -4.73 119.74 117.12 2k60 s LYS 180 Ca -0.30 0.14 0.21 0.00 -1.56 0.00 0.00 55.97 54.46 2k60 s LYS 180 Cb 0.09 0.05 -0.16 0.00 -1.46 0.00 0.00 37.83 36.35 2k60 s LYS 180 CO 0.64 -0.01 0.74 -1.33 0.16 0.00 0.00 175.35 175.55 2k60 n MET 181 N 1.86 0.63 -2.61 4.03 2.81 -1.26 -4.71 117.12 117.87 2k60 n MET 181 Ca -0.11 0.03 -0.42 0.00 -1.81 0.00 0.00 57.70 55.39 2k60 n MET 181 Cb 0.57 -1.70 -0.03 0.00 -0.71 0.00 0.00 33.22 31.35 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 -3.26 3.95 0.23 2.03 -4.23 -1.26 -4.88 115.64 108.22 2k60 s THR 182 Ca -0.04 0.55 -0.08 0.00 -1.18 0.00 0.00 61.69 60.94 2k60 s THR 182 Cb 0.11 -4.79 0.18 0.00 1.34 0.00 0.00 72.50 69.34 2k60 s THR 182 CO 0.84 -1.54 1.85 -2.24 -0.54 0.00 0.00 174.62 172.99 2k60 h ASP 183 N 9.72 0.78 -0.06 3.99 2.03 -1.99 0.15 116.42 131.04 2k60 h ASP 183 Ca -0.27 0.01 -0.21 0.00 -0.73 0.00 0.00 57.03 55.83 2k60 h ASP 183 Cb 1.06 -0.16 0.01 0.00 -0.83 0.00 0.00 39.33 39.41 2k60 h ASP 183 CO 1.22 0.52 -0.76 0.08 -1.03 0.00 0.00 179.24 179.26 2k60 h ARG 184 N 0.92 0.71 -0.56 4.15 -0.00 -1.98 -0.98 114.38 116.64 2k60 h ARG 184 Ca 0.33 -0.58 -0.08 0.00 -0.00 0.00 0.00 59.98 59.66 2k60 h ARG 184 Cb 0.09 0.12 -0.02 0.00 -0.00 0.00 0.00 29.97 30.16 2k60 h ARG 184 CO -0.14 1.19 0.06 1.03 -0.00 0.00 0.00 179.97 182.10 2k60 h SER 185 N 0.49 0.92 0.14 0.08 0.87 -1.88 0.26 113.55 114.42 2k60 h SER 185 Ca -0.05 -0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 60.23 2k60 h SER 185 Cb 1.38 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 2k60 h SER 185 CO 0.15 0.97 -0.07 -0.74 -0.53 0.00 0.00 176.83 176.61 2k60 h HIS 186 N 0.84 -0.17 -0.40 2.24 2.76 -0.89 -1.34 115.15 118.19 2k60 h HIS 186 Ca 0.17 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.25 2k60 h HIS 186 Cb 0.46 0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.46 2k60 h HIS 186 CO 0.03 0.08 -0.08 0.07 -1.30 0.00 0.00 177.93 176.74 2k60 h ARG 187 N -0.42 0.69 -0.02 5.26 0.11 -0.99 -0.94 114.38 118.07 2k60 h ARG 187 Ca -0.02 -0.20 -0.00 0.00 0.10 0.00 0.00 59.98 59.85 2k60 h ARG 187 Cb 0.33 -0.07 -0.00 0.00 1.11 0.00 0.00 29.97 31.34 2k60 h ARG 187 CO 0.03 0.76 0.00 1.96 0.10 0.00 0.00 179.97 182.82 2k60 h GLN 188 N 0.64 0.04 -0.21 0.08 1.08 -0.36 0.21 115.11 116.58 2k60 h GLN 188 Ca 0.12 -0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.24 2k60 h GLN 188 Cb 0.51 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.93 2k60 h GLN 188 CO 0.03 0.30 -0.14 0.87 -0.95 0.00 0.00 178.83 178.94 2k60 h LYS 189 N -0.23 0.47 -0.26 1.46 6.56 -1.18 -0.69 116.57 122.71 2k60 h LYS 189 Ca 0.01 -0.22 -0.01 0.00 -1.06 0.00 0.00 60.65 59.36 2k60 h LYS 189 Cb 0.28 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.92 2k60 h LYS 189 CO 0.00 0.78 0.12 -0.07 -2.06 0.00 0.00 179.45 178.22 2k60 h LEU 190 N 0.17 0.34 -0.77 2.94 -0.00 -1.19 -1.67 115.31 115.13 2k60 h LEU 190 Ca 0.04 -0.13 -0.08 0.00 -0.00 0.00 0.00 57.88 57.72 2k60 h LEU 190 Cb 0.66 -0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 41.20 2k60 h LEU 190 CO 0.04 0.38 0.08 0.06 -0.00 0.00 0.00 178.44 178.99 2k60 h GLN 191 N 0.29 1.00 0.05 1.13 3.07 -0.53 0.44 115.11 120.57 2k60 h GLN 191 Ca 0.09 -0.27 0.02 0.00 0.09 0.00 0.00 58.65 58.58 2k60 h GLN 191 Cb 0.12 -0.12 -0.03 0.00 0.08 0.00 0.00 27.48 27.54 2k60 h GLN 191 CO -0.01 0.94 -0.16 1.25 0.09 0.00 0.00 178.83 180.94 2k60 h LEU 192 N 0.94 -0.45 0.08 0.06 7.12 -0.88 0.21 115.31 122.39 2k60 h LEU 192 Ca 0.19 0.06 -0.15 0.00 0.13 0.00 0.00 57.88 58.10 2k60 h LEU 192 Cb 0.44 0.18 0.02 0.00 -0.53 0.00 0.00 40.66 40.76 2k60 h LEU 192 CO 0.01 -0.22 -0.64 0.11 -0.13 0.00 0.00 178.44 177.57 2k60 h LYS 193 N -0.29 0.28 -0.37 1.25 6.56 -1.11 -1.78 116.57 121.11 2k60 h LYS 193 Ca 0.04 -0.42 -0.07 0.00 -1.06 0.00 0.00 60.65 59.14 2k60 h LYS 193 Cb 0.33 0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 32.12 2k60 h LYS 193 CO -0.12 1.16 -0.04 0.00 -2.06 0.00 0.00 179.45 178.40 2k60 h ALA 194 N 0.14 0.51 -0.30 3.86 0.00 -0.09 0.45 119.26 123.84 2k60 h ALA 194 Ca -0.10 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 2k60 h ALA 194 Cb 1.45 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 2k60 h ALA 194 CO 0.12 0.32 -0.38 1.25 0.00 0.00 0.00 179.25 180.56 2k60 h LEU 195 N 0.50 0.85 -1.48 0.00 5.85 -0.70 0.25 115.31 120.59 2k60 h LEU 195 Ca 0.10 -0.49 0.09 0.00 0.84 0.00 0.00 57.88 58.42 2k60 h LEU 195 Cb 0.53 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 2k60 h LEU 195 CO 0.03 1.18 0.47 -0.78 -0.34 0.00 0.00 178.44 178.99 2k60 h ASP 196 N 0.55 0.53 0.02 1.25 3.58 -1.14 -0.52 116.42 120.69 2k60 h ASP 196 Ca 0.04 0.01 -0.12 0.00 0.42 0.00 0.00 57.03 57.38 2k60 h ASP 196 Cb 0.97 -0.10 0.01 0.00 1.72 0.00 0.00 39.33 41.93 2k60 h ASP 196 CO 0.09 0.32 -0.47 0.74 -2.88 0.00 0.00 179.24 177.04 2k60 h THR 197 N 0.59 1.50 0.00 2.25 2.02 -0.31 0.27 112.91 119.23 2k60 h THR 197 Ca 0.32 -2.11 -0.04 0.00 0.77 0.00 0.00 66.41 65.35 2k60 h THR 197 Cb 0.48 2.78 -0.01 0.00 -1.74 0.00 0.00 68.15 69.66 2k60 h THR 197 CO -0.11 0.59 -0.20 -0.37 0.37 0.00 0.00 175.52 175.80 2k60 h VAL 198 N -0.33 0.58 0.00 3.16 -1.51 -0.23 -1.52 116.25 116.40 2k60 h VAL 198 Ca -0.06 -0.97 -0.12 0.00 -1.23 0.00 0.00 66.70 64.32 2k60 h VAL 198 Cb 1.23 1.64 -0.02 0.00 -2.13 0.00 0.00 31.29 32.02 2k60 h VAL 198 CO 0.09 0.20 -0.79 -0.07 -1.23 0.00 0.00 177.57 175.77 2k60 h LEU 199 N 0.00 0.00 0.00 4.19 3.38 -1.13 -3.40 115.31 118.35 2k60 h LEU 199 Ca -0.00 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2k60 h LEU 199 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2k60 h LEU 199 CO 0.03 1.15 -0.17 0.33 0.09 0.00 0.00 178.44 179.86 2k60 n PHE 200 N -4.53 0.00 -0.46 1.13 -0.00 0.85 -4.93 117.46 109.51 2k60 n PHE 200 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.25 2k60 n PHE 200 Cb 0.49 -0.09 0.00 0.00 -0.00 0.00 0.00 39.48 39.88 2k60 n PHE 200 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17