#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kd2 s PRO 87 N 0.00 4.28 0.11 1.61 0.04 -1.26 -5.03 135.00 134.75 2kd2 s PRO 87 Ca 0.00 2.03 0.05 0.00 0.04 0.00 0.00 61.00 63.11 2kd2 s PRO 87 Cb 0.00 -3.53 -0.04 0.00 0.04 0.00 0.00 34.50 30.97 2kd2 s PRO 87 CO 0.00 -0.58 0.05 -0.51 0.04 0.00 0.00 177.00 176.00 2kd2 s LEU 88 N 2.26 3.60 0.00 -3.56 2.01 -1.26 -5.13 118.68 116.60 2kd2 s LEU 88 Ca 0.65 -0.15 0.00 0.00 0.01 0.00 0.00 54.13 54.65 2kd2 s LEU 88 Cb -0.33 -2.29 0.00 0.00 0.01 0.00 0.00 46.19 43.58 2kd2 s LEU 88 CO 0.28 0.15 0.00 0.61 1.01 0.00 0.00 176.35 178.39 2kd2 n GLY 89 N 0.30 1.64 2.81 -3.19 0.00 -1.26 -5.11 105.19 100.37 2kd2 n GLY 89 Ca -0.10 -1.76 -0.15 0.00 0.00 0.00 0.00 46.02 44.02 2kd2 n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kd2 s SER 90 N -1.00 1.21 -0.32 1.61 1.04 -1.26 -4.97 113.70 110.01 2kd2 s SER 90 Ca 0.00 -0.74 -0.04 0.00 0.48 0.00 0.00 55.95 55.64 2kd2 s SER 90 Cb 0.00 0.70 0.05 0.00 0.10 0.00 0.00 66.02 66.87 2kd2 s SER 90 CO 0.00 -0.36 0.06 -1.61 0.98 0.00 0.00 173.24 172.31 2kd2 s GLU 91 N 2.30 2.53 -0.29 4.02 8.01 -1.26 -5.05 118.70 128.95 2kd2 s GLU 91 Ca 0.10 -1.23 -0.13 0.00 0.01 0.00 0.00 54.97 53.72 2kd2 s GLU 91 Cb -0.13 -3.34 0.13 0.00 -4.31 0.00 0.00 34.13 26.47 2kd2 s GLU 91 CO -0.29 -0.65 0.76 1.21 0.01 0.00 0.00 175.26 176.30 2kd2 s ASN 92 N 1.35 -0.92 -0.31 -0.19 3.84 -1.26 -5.02 114.94 112.44 2kd2 s ASN 92 Ca -0.03 1.33 -0.02 0.00 0.21 0.00 0.00 52.86 54.35 2kd2 s ASN 92 Cb -0.20 1.84 0.12 0.00 -0.55 0.00 0.00 41.25 42.45 2kd2 s ASN 92 CO 0.01 -0.19 0.18 -0.13 -2.79 0.00 0.00 177.10 174.18 2kd2 s ARG 93 N 2.33 0.30 -1.38 0.43 0.52 -1.26 -4.86 118.95 115.02 2kd2 s ARG 93 Ca -0.07 -0.65 -0.02 0.00 -0.52 0.00 0.00 55.73 54.47 2kd2 s ARG 93 Cb -0.08 -1.09 0.01 0.00 0.52 0.00 0.00 34.95 34.31 2kd2 s ARG 93 CO -0.19 -1.07 0.19 0.43 0.02 0.00 0.00 175.30 174.69 2kd2 n SER 94 N 4.96 -4.84 -4.07 0.23 7.64 -1.26 -4.96 113.62 111.32 2kd2 n SER 94 Ca -0.01 -0.04 -0.27 0.00 1.01 0.00 0.00 58.87 59.56 2kd2 n SER 94 Cb 0.42 -4.03 -0.17 0.00 -1.01 0.00 0.00 64.21 59.43 2kd2 n SER 94 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2kd2 s LYS 95 N -5.32 2.06 -0.20 1.43 2.47 -1.26 -5.02 119.74 113.91 2kd2 s LYS 95 Ca 0.12 -0.54 0.21 0.00 -1.56 0.00 0.00 55.97 54.21 2kd2 s LYS 95 Cb -0.06 -1.66 0.48 0.00 -1.46 0.00 0.00 37.83 35.14 2kd2 s LYS 95 CO 0.15 0.06 1.14 0.25 0.16 0.00 0.00 175.35 177.11 2kd2 n THR 96 N 3.77 1.18 -3.64 3.43 -2.24 -1.26 -5.00 114.28 110.52 2kd2 n THR 96 Ca -0.22 -2.65 -0.06 0.00 -2.27 0.00 0.00 64.05 58.85 2kd2 n THR 96 Cb 0.52 0.85 -0.07 0.00 -2.10 0.00 0.00 70.33 69.53 2kd2 n THR 96 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2kd2 s THR 97 N -2.99 -0.20 0.08 4.28 -4.23 -1.26 -2.57 115.64 108.75 2kd2 s THR 97 Ca 0.32 0.01 0.03 0.00 -1.18 0.00 0.00 61.69 60.87 2kd2 s THR 97 Cb 0.35 -0.98 -0.04 0.00 1.34 0.00 0.00 72.50 73.17 2kd2 s THR 97 CO -0.06 0.00 0.06 -0.44 -0.54 0.00 0.00 174.62 173.64 2kd2 s SER 98 N 1.88 5.44 -0.01 3.99 0.01 -0.87 -4.95 113.70 119.19 2kd2 s SER 98 Ca -0.09 -0.03 0.01 0.00 1.31 0.00 0.00 55.95 57.15 2kd2 s SER 98 Cb -0.07 -1.44 0.01 0.00 0.21 0.00 0.00 66.02 64.73 2kd2 s SER 98 CO -0.19 0.18 -0.03 -0.89 0.41 0.00 0.00 173.24 172.72 2kd2 s THR 99 N -1.36 0.30 -0.08 1.44 2.01 -1.26 -0.17 115.64 116.52 2kd2 s THR 99 Ca 0.28 -0.11 -0.00 0.00 0.31 0.00 0.00 61.69 62.17 2kd2 s THR 99 Cb -0.12 -0.29 0.02 0.00 0.01 0.00 0.00 72.50 72.13 2kd2 s THR 99 CO 0.21 0.11 -0.04 0.26 -0.69 0.00 0.00 174.62 174.46 2kd2 s TRP 100 N 0.21 0.99 -0.33 4.92 0.51 0.91 -0.33 118.94 125.82 2kd2 s TRP 100 Ca -0.02 -0.37 -0.11 0.00 -2.12 0.00 0.00 56.10 53.48 2kd2 s TRP 100 Cb -0.05 -0.92 -0.01 0.00 -0.81 0.00 0.00 33.47 31.68 2kd2 s TRP 100 CO -0.00 -0.35 0.19 0.08 -0.51 0.00 0.00 176.95 176.36 2kd2 s VAL 101 N 1.57 4.86 -0.00 4.03 1.01 -1.26 -0.09 120.40 130.51 2kd2 s VAL 101 Ca 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 2kd2 s VAL 101 Cb -0.13 -3.51 -0.00 0.00 0.00 0.00 0.00 36.38 32.74 2kd2 s VAL 101 CO -0.04 0.00 0.07 -1.48 0.00 0.00 0.00 175.10 173.65 2kd2 s LEU 102 N 1.65 1.81 -0.89 3.92 2.34 -0.62 -4.94 118.68 121.94 2kd2 s LEU 102 Ca 0.05 -0.20 -0.24 0.00 0.06 0.00 0.00 54.13 53.79 2kd2 s LEU 102 Cb -0.17 0.39 -0.00 0.00 -0.56 0.00 0.00 46.19 45.84 2kd2 s LEU 102 CO 0.08 -0.26 1.68 -0.13 -1.06 0.00 0.00 176.35 176.66 2kd2 s ARG 103 N -1.03 3.01 0.17 1.48 0.52 -1.26 0.15 118.95 122.00 2kd2 s ARG 103 Ca -0.11 -0.49 0.10 0.00 -0.52 0.00 0.00 55.73 54.71 2kd2 s ARG 103 Cb -0.07 -5.00 -0.04 0.00 0.52 0.00 0.00 34.95 30.36 2kd2 s ARG 103 CO 0.00 -2.74 -0.22 -1.17 0.02 0.00 0.00 175.30 171.19 2kd2 s LEU 104 N 7.62 2.42 -0.72 2.53 0.20 0.12 -4.65 118.68 126.19 2kd2 s LEU 104 Ca 0.57 -0.84 0.00 0.00 0.69 0.00 0.00 54.13 54.55 2kd2 s LEU 104 Cb -0.05 -1.04 0.00 0.00 -0.43 0.00 0.00 46.19 44.66 2kd2 s LEU 104 CO -0.00 0.07 0.00 -0.67 -0.29 0.00 0.00 176.35 175.46 2kd2 n ASP 105 N 0.38 -5.07 0.00 3.68 -0.08 -1.26 -1.31 116.55 112.89 2kd2 n ASP 105 Ca -0.14 0.17 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 2kd2 n ASP 105 Cb 0.56 -3.17 0.00 0.00 2.34 0.00 0.00 41.12 40.85 2kd2 n ASP 105 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kd2 n GLY 106 N -0.48 0.78 3.23 0.27 0.00 -1.26 -5.03 105.19 102.70 2kd2 n GLY 106 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 2kd2 n GLY 106 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kd2 s GLU 107 N -0.50 1.38 -0.93 1.61 -1.05 -0.43 -5.07 118.70 113.71 2kd2 s GLU 107 Ca 0.00 -1.75 -0.25 0.00 -0.15 0.00 0.00 54.97 52.82 2kd2 s GLU 107 Cb 0.00 0.28 -0.07 0.00 -0.44 0.00 0.00 34.13 33.90 2kd2 s GLU 107 CO 0.00 -0.47 2.01 0.16 0.95 0.00 0.00 175.26 177.91 2kd2 s ASP 108 N -3.23 4.93 -0.03 0.83 -4.77 -1.26 0.10 116.67 113.24 2kd2 s ASP 108 Ca 0.40 -0.73 -0.30 0.00 -3.30 0.00 0.00 52.55 48.61 2kd2 s ASP 108 Cb 0.06 -2.56 -0.04 0.00 -1.09 0.00 0.00 42.92 39.28 2kd2 s ASP 108 CO 0.17 -2.98 1.23 -0.22 0.70 0.00 0.00 175.17 174.06 2kd2 s LEU 109 N 10.97 4.30 -0.38 2.11 2.96 0.12 -4.88 118.68 133.88 2kd2 s LEU 109 Ca 0.73 1.88 -0.13 0.00 -0.22 0.00 0.00 54.13 56.40 2kd2 s LEU 109 Cb -0.07 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.08 2kd2 s LEU 109 CO 0.03 -0.58 0.24 -0.60 -1.32 0.00 0.00 176.35 174.12 2kd2 s ARG 110 N 2.07 2.97 -0.07 1.98 3.52 -1.26 -1.59 118.95 126.56 2kd2 s ARG 110 Ca 0.57 -1.00 -0.13 0.00 -0.13 0.00 0.00 55.73 55.04 2kd2 s ARG 110 Cb -0.26 -3.82 -0.05 0.00 -1.56 0.00 0.00 34.95 29.26 2kd2 s ARG 110 CO 0.24 -0.68 0.34 0.08 -0.81 0.00 0.00 175.30 174.46 2kd2 s VAL 111 N 1.62 5.20 -0.04 7.11 1.01 0.87 -3.33 120.40 132.84 2kd2 s VAL 111 Ca 0.04 0.66 -0.00 0.00 0.00 0.00 0.00 61.98 62.68 2kd2 s VAL 111 Cb -0.19 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.57 2kd2 s VAL 111 CO 0.08 0.51 -0.00 -0.69 0.00 0.00 0.00 175.10 175.00 2kd2 s VAL 112 N -0.50 0.25 -0.39 2.92 1.01 0.37 -0.06 120.40 123.99 2kd2 s VAL 112 Ca 0.20 0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.22 2kd2 s VAL 112 Cb -0.15 -0.36 0.08 0.00 0.00 0.00 0.00 36.38 35.96 2kd2 s VAL 112 CO 0.09 0.18 0.19 -0.22 0.00 0.00 0.00 175.10 175.34 2kd2 s LEU 113 N 1.28 4.92 0.14 3.92 2.96 0.76 0.10 118.68 132.77 2kd2 s LEU 113 Ca -0.06 -1.62 -0.29 0.00 -0.22 0.00 0.00 54.13 51.95 2kd2 s LEU 113 Cb -0.13 -1.88 -0.07 0.00 0.50 0.00 0.00 46.19 44.61 2kd2 s LEU 113 CO -0.02 -0.48 0.91 -0.70 -1.32 0.00 0.00 176.35 174.74 2kd2 s GLU 114 N 1.30 4.69 0.35 1.98 2.12 -0.93 -2.04 118.70 126.17 2kd2 s GLU 114 Ca 0.03 1.37 0.27 0.00 0.36 0.00 0.00 54.97 57.00 2kd2 s GLU 114 Cb -0.22 -3.34 0.95 0.00 0.26 0.00 0.00 34.13 31.78 2kd2 s GLU 114 CO -0.00 0.33 1.78 0.87 -0.54 0.00 0.00 175.26 177.70 2kd2 h LYS 115 N 5.13 0.00 -0.26 4.30 1.79 -1.84 0.26 116.57 125.95 2kd2 h LYS 115 Ca -0.44 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.09 2kd2 h LYS 115 Cb 1.21 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.79 2kd2 h LYS 115 CO 0.70 0.00 -0.24 0.22 -1.08 0.00 0.00 179.45 179.06 2kd2 h ASP 116 N 0.00 -0.76 0.00 0.86 3.58 -1.92 -3.32 116.42 114.86 2kd2 h ASP 116 Ca 0.00 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.59 2kd2 h ASP 116 Cb 0.57 0.36 0.00 0.00 1.72 0.00 0.00 39.33 41.99 2kd2 h ASP 116 CO 0.00 -0.27 -0.31 0.41 -2.88 0.00 0.00 179.24 176.19 2kd2 n THR 117 N -5.37 0.21 -2.07 2.25 -1.04 -1.23 -4.99 114.28 102.04 2kd2 n THR 117 Ca -0.01 -0.25 -0.16 0.00 -2.04 0.00 0.00 64.05 61.59 2kd2 n THR 117 Cb 0.29 0.56 -0.03 0.00 -1.82 0.00 0.00 70.33 69.33 2kd2 n THR 117 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 2kd2 n MET 118 N -0.15 -1.74 -2.44 -2.82 1.56 0.90 -4.94 117.12 107.49 2kd2 n MET 118 Ca 0.01 0.86 -0.32 0.00 -0.27 0.00 0.00 57.70 57.98 2kd2 n MET 118 Cb 0.63 -5.37 -0.03 0.00 2.15 0.00 0.00 33.22 30.60 2kd2 n MET 118 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2kd2 s ASP 119 N -2.17 6.61 -0.14 6.12 2.15 -1.19 -4.81 116.67 123.25 2kd2 s ASP 119 Ca 0.00 1.52 -0.05 0.00 0.43 0.00 0.00 52.55 54.45 2kd2 s ASP 119 Cb 0.00 -2.49 -0.04 0.00 -0.30 0.00 0.00 42.92 40.10 2kd2 s ASP 119 CO 0.00 -0.57 0.04 -0.69 -0.17 0.00 0.00 175.17 173.78 2kd2 s VAL 120 N -2.60 4.58 -0.13 1.11 1.01 -1.26 -2.19 120.40 120.91 2kd2 s VAL 120 Ca 0.58 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.46 2kd2 s VAL 120 Cb -0.10 -3.00 0.01 0.00 0.00 0.00 0.00 36.38 33.29 2kd2 s VAL 120 CO 0.32 0.54 -0.22 0.86 0.00 0.00 0.00 175.10 176.60 2kd2 s TRP 121 N -0.26 2.66 -0.04 5.22 -0.11 0.12 -1.34 118.94 125.19 2kd2 s TRP 121 Ca 0.07 -1.21 0.02 0.00 1.22 0.00 0.00 56.10 56.20 2kd2 s TRP 121 Cb -0.12 -1.80 0.01 0.00 -1.50 0.00 0.00 33.47 30.07 2kd2 s TRP 121 CO 0.02 -0.53 -0.07 0.00 -4.62 0.00 0.00 176.95 171.74 2kd2 n ASN 123 N 3.74 -2.64 -4.13 0.00 3.02 -1.21 -1.10 115.26 112.94 2kd2 n ASN 123 Ca -0.23 -0.98 -0.34 0.00 -0.03 0.00 0.00 54.58 53.00 2kd2 n ASN 123 Cb 0.52 -3.35 -0.01 0.00 -0.61 0.00 0.00 39.78 36.33 2kd2 n ASN 123 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kd2 n GLY 124 N -1.79 -0.45 3.22 7.41 0.00 -1.26 -4.94 105.19 107.38 2kd2 n GLY 124 Ca -0.21 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 2kd2 n GLY 124 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kd2 s GLN 125 N -6.83 0.58 0.80 1.61 2.00 -0.26 -5.16 119.66 112.40 2kd2 s GLN 125 Ca 0.69 -0.07 -0.10 0.00 -2.00 0.00 0.00 55.36 53.88 2kd2 s GLN 125 Cb -0.37 0.26 0.07 0.00 0.80 0.00 0.00 33.01 33.77 2kd2 s GLN 125 CO 0.90 -0.15 1.10 0.21 -0.50 0.00 0.00 175.29 176.86 2kd2 s LYS 126 N -0.99 2.03 0.29 1.67 2.20 -1.26 -0.60 119.74 123.08 2kd2 s LYS 126 Ca -0.11 1.24 0.07 0.00 -0.36 0.00 0.00 55.97 56.82 2kd2 s LYS 126 Cb -0.05 -1.87 -0.06 0.00 -1.51 0.00 0.00 37.83 34.35 2kd2 s LYS 126 CO 0.03 -1.82 -0.08 -1.64 -0.36 0.00 0.00 175.35 171.48 2kd2 s MET 127 N -4.84 1.59 -0.30 4.03 -1.94 -0.45 -4.72 119.30 112.67 2kd2 s MET 127 Ca 0.62 -1.80 0.03 0.00 -1.71 0.00 0.00 55.69 52.83 2kd2 s MET 127 Cb -0.18 -1.27 0.07 0.00 2.01 0.00 0.00 34.83 35.46 2kd2 s MET 127 CO 0.56 0.08 -0.04 -1.21 -0.01 0.00 0.00 175.02 174.40 2kd2 s GLU 128 N -3.69 1.99 0.34 2.03 2.02 -1.26 -4.71 118.70 115.42 2kd2 s GLU 128 Ca 0.30 -1.54 0.02 0.00 0.02 0.00 0.00 54.97 53.77 2kd2 s GLU 128 Cb 0.03 -3.05 0.06 0.00 0.10 0.00 0.00 34.13 31.28 2kd2 s GLU 128 CO 0.12 -0.72 0.47 0.25 0.02 0.00 0.00 175.26 175.41 2kd2 n THR 129 N 4.39 0.00 -0.11 3.63 -2.24 -1.26 -3.92 114.28 114.78 2kd2 n THR 129 Ca -0.07 -0.91 -0.12 0.00 -2.27 0.00 0.00 64.05 60.68 2kd2 n THR 129 Cb 0.42 -0.95 -0.15 0.00 -2.10 0.00 0.00 70.33 67.55 2kd2 n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kd2 n ALA 130 N -2.81 1.49 -2.64 6.98 0.00 -0.10 -4.80 120.51 118.63 2kd2 n ALA 130 Ca -0.08 -1.28 -0.04 0.00 0.00 0.00 0.00 53.44 52.05 2kd2 n ALA 130 Cb 0.31 -0.16 -0.03 0.00 0.00 0.00 0.00 19.45 19.57 2kd2 n ALA 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kd2 n GLY 131 N 1.88 -4.99 2.87 0.00 0.00 -1.25 -4.91 105.19 98.78 2kd2 n GLY 131 Ca -0.35 1.37 -0.11 0.00 0.00 0.00 0.00 46.02 46.92 2kd2 n GLY 131 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kd2 s GLU 132 N -1.02 0.37 0.35 1.61 2.02 -1.22 -5.00 118.70 115.80 2kd2 s GLU 132 Ca -0.19 0.17 -0.19 0.00 0.02 0.00 0.00 54.97 54.78 2kd2 s GLU 132 Cb 0.01 -0.46 -0.10 0.00 0.10 0.00 0.00 34.13 33.68 2kd2 s GLU 132 CO 0.80 -0.92 0.83 0.12 0.02 0.00 0.00 175.26 176.11 2kd2 s PHE 133 N 2.49 3.41 0.24 1.61 5.36 -1.26 -0.90 117.98 128.94 2kd2 s PHE 133 Ca 0.10 1.43 0.05 0.00 -0.96 0.00 0.00 56.93 57.55 2kd2 s PHE 133 Cb -0.14 -2.69 -0.02 0.00 -0.34 0.00 0.00 43.02 39.83 2kd2 s PHE 133 CO -0.27 0.06 0.21 1.33 -1.46 0.00 0.00 175.22 175.10 2kd2 n VAL 134 N -0.24 0.00 0.29 3.12 0.24 0.89 -4.96 118.33 117.67 2kd2 n VAL 134 Ca 0.04 -1.75 0.19 0.00 -2.04 0.00 0.00 64.34 60.78 2kd2 n VAL 134 Cb 0.53 0.88 0.98 0.00 -1.47 0.00 0.00 33.84 34.76 2kd2 n VAL 134 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 2kd2 h ASP 135 N 1.49 0.00 0.00 -1.34 2.03 -2.02 -3.24 116.42 113.33 2kd2 h ASP 135 Ca -0.17 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.13 2kd2 h ASP 135 Cb 0.87 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.37 2kd2 h ASP 135 CO 0.25 0.00 0.00 0.47 -1.03 0.00 0.00 179.24 178.93 2kd2 n ASP 136 N -3.31 0.00 0.00 4.15 8.00 -1.26 -5.03 116.55 119.10 2kd2 n ASP 136 Ca -0.01 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.61 2kd2 n ASP 136 Cb 0.23 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 2kd2 n ASP 136 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kd2 n GLY 137 N 1.99 3.51 2.87 0.44 0.00 -1.23 -3.21 105.19 109.56 2kd2 n GLY 137 Ca 0.00 -0.21 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 2kd2 n GLY 137 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kd2 s THR 138 N 2.49 0.36 -0.60 2.61 2.01 -0.67 -0.08 115.64 121.76 2kd2 s THR 138 Ca 0.00 -0.04 -0.11 0.00 0.31 0.00 0.00 61.69 61.85 2kd2 s THR 138 Cb 0.00 -0.41 0.15 0.00 0.01 0.00 0.00 72.50 72.26 2kd2 s THR 138 CO 0.00 0.18 0.50 -1.61 -0.69 0.00 0.00 174.62 173.00 2kd2 s GLU 139 N 0.85 2.90 -0.46 4.92 2.02 -0.08 -0.53 118.70 128.32 2kd2 s GLU 139 Ca -0.10 -2.03 -0.24 0.00 0.02 0.00 0.00 54.97 52.62 2kd2 s GLU 139 Cb -0.13 -4.12 0.03 0.00 0.10 0.00 0.00 34.13 30.01 2kd2 s GLU 139 CO -0.01 -1.25 0.85 0.95 0.02 0.00 0.00 175.26 175.82 2kd2 s THR 140 N 0.94 4.56 -0.43 3.63 -4.23 -0.88 -3.45 115.64 115.78 2kd2 s THR 140 Ca 0.10 0.54 -0.13 0.00 -1.18 0.00 0.00 61.69 61.02 2kd2 s THR 140 Cb -0.22 -4.38 0.06 0.00 1.34 0.00 0.00 72.50 69.29 2kd2 s THR 140 CO -0.02 -0.79 0.31 -1.00 -0.54 0.00 0.00 174.62 172.57 2kd2 s HIS 141 N 3.52 3.27 -0.14 3.99 3.76 -1.26 -0.18 115.29 128.24 2kd2 s HIS 141 Ca 0.33 -1.04 0.02 0.00 -0.15 0.00 0.00 55.06 54.21 2kd2 s HIS 141 Cb -0.11 -2.88 0.02 0.00 1.11 0.00 0.00 32.58 30.72 2kd2 s HIS 141 CO 0.24 -0.75 -0.19 -0.59 -0.85 0.00 0.00 174.74 172.60 2kd2 s PHE 142 N 1.57 2.46 0.41 1.40 -0.12 -0.88 -0.92 117.98 121.90 2kd2 s PHE 142 Ca 0.03 -1.31 -0.12 0.00 -0.05 0.00 0.00 56.93 55.48 2kd2 s PHE 142 Cb -0.22 -1.72 -0.07 0.00 -0.63 0.00 0.00 43.02 40.38 2kd2 s PHE 142 CO 0.06 -0.64 0.80 -1.12 -0.05 0.00 0.00 175.22 174.27 2kd2 s SER 143 N 1.08 6.59 -0.24 1.98 0.01 -1.25 -3.46 113.70 118.41 2kd2 s SER 143 Ca -0.02 1.24 -0.03 0.00 1.31 0.00 0.00 55.95 58.45 2kd2 s SER 143 Cb -0.14 -2.36 0.12 0.00 0.21 0.00 0.00 66.02 63.84 2kd2 s SER 143 CO -0.06 -0.39 0.28 -0.69 0.41 0.00 0.00 173.24 172.79 2kd2 s VAL 144 N -2.34 -0.41 0.00 3.43 1.01 -1.15 -4.83 120.40 116.11 2kd2 s VAL 144 Ca 0.53 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.28 2kd2 s VAL 144 Cb -0.10 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.47 2kd2 s VAL 144 CO 0.28 -0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.72 2kd2 n GLY 145 N 5.33 1.43 0.60 4.51 0.00 -1.26 -0.70 105.19 115.10 2kd2 n GLY 145 Ca -0.04 0.44 0.05 0.00 0.00 0.00 0.00 46.02 46.47 2kd2 n GLY 145 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kd2 n ASN 146 N 10.60 2.33 -4.46 1.61 5.03 -1.26 -5.02 115.26 124.09 2kd2 n ASN 146 Ca 0.00 -3.52 -0.23 0.00 0.87 0.00 0.00 54.58 51.70 2kd2 n ASN 146 Cb 0.00 -0.52 -0.10 0.00 -1.02 0.00 0.00 39.78 38.13 2kd2 n ASN 146 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 2kd2 s HIS 147 N -3.08 2.11 -0.15 3.10 3.76 0.12 -5.14 115.29 116.01 2kd2 s HIS 147 Ca 0.38 -0.57 0.01 0.00 -0.15 0.00 0.00 55.06 54.73 2kd2 s HIS 147 Cb 0.35 -1.14 0.02 0.00 1.11 0.00 0.00 32.58 32.92 2kd2 s HIS 147 CO -0.01 0.44 -0.18 0.34 -0.85 0.00 0.00 174.74 174.49 2kd2 s ASP 148 N -3.49 2.88 0.00 1.40 -1.08 -1.26 -2.93 116.67 112.19 2kd2 s ASP 148 Ca 0.30 -0.55 -0.02 0.00 -0.52 0.00 0.00 52.55 51.75 2kd2 s ASP 148 Cb 0.02 -1.32 -0.01 0.00 -1.46 0.00 0.00 42.92 40.15 2kd2 s ASP 148 CO 0.13 0.00 0.03 0.00 0.52 0.00 0.00 175.17 175.86 2kd2 s TYR 150 N -0.99 -0.24 -0.39 0.00 1.13 -0.48 -2.06 117.35 114.32 2kd2 s TYR 150 Ca -0.11 0.44 -0.16 0.00 -1.41 0.00 0.00 57.07 55.83 2kd2 s TYR 150 Cb -0.07 0.11 0.01 0.00 -1.10 0.00 0.00 41.96 40.91 2kd2 s TYR 150 CO -0.00 -0.35 0.37 0.42 -2.51 0.00 0.00 175.55 173.48 2kd2 s ILE 151 N -0.97 5.17 -0.65 -3.49 1.01 0.75 -1.07 121.20 121.95 2kd2 s ILE 151 Ca -0.10 -0.33 -0.26 0.00 0.00 0.00 0.00 60.65 59.96 2kd2 s ILE 151 Cb -0.04 -3.93 0.04 0.00 0.01 0.00 0.00 42.46 38.53 2kd2 s ILE 151 CO 0.03 -0.28 1.14 -0.75 0.00 0.00 0.00 174.94 175.09 2kd2 s LYS 152 N 1.95 3.29 0.06 2.79 2.20 0.90 -2.07 119.74 128.86 2kd2 s LYS 152 Ca 0.10 -0.21 -0.07 0.00 -0.36 0.00 0.00 55.97 55.42 2kd2 s LYS 152 Cb -0.17 -4.12 -0.05 0.00 -1.51 0.00 0.00 37.83 31.97 2kd2 s LYS 152 CO 0.12 -1.85 0.34 0.00 -0.36 0.00 0.00 175.35 173.60 2kd2 s ALA 153 N 4.92 3.79 -0.14 3.13 0.00 0.31 -0.02 121.76 133.76 2kd2 s ALA 153 Ca 0.34 -0.50 -0.04 0.00 0.00 0.00 0.00 51.96 51.76 2kd2 s ALA 153 Cb -0.10 -2.15 0.07 0.00 0.00 0.00 0.00 23.12 20.94 2kd2 s ALA 153 CO 0.18 0.63 0.22 0.08 0.00 0.00 0.00 175.76 176.86 2kd2 s VAL 154 N -1.42 -0.34 0.21 0.00 1.01 0.17 -1.67 120.40 118.36 2kd2 s VAL 154 Ca 0.33 0.18 -0.13 0.00 0.00 0.00 0.00 61.98 62.35 2kd2 s VAL 154 Cb -0.13 -0.47 -0.07 0.00 0.00 0.00 0.00 36.38 35.70 2kd2 s VAL 154 CO 0.19 0.03 0.59 -0.94 0.00 0.00 0.00 175.10 174.96 2kd2 s SER 155 N 2.35 6.76 0.02 3.32 1.04 -1.20 -1.28 113.70 124.72 2kd2 s SER 155 Ca 0.04 1.07 -0.09 0.00 0.48 0.00 0.00 55.95 57.45 2kd2 s SER 155 Cb -0.13 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.70 2kd2 s SER 155 CO -0.09 -0.01 0.17 -0.94 0.98 0.00 0.00 173.24 173.36 2kd2 s SER 156 N -2.02 0.03 0.00 7.02 1.04 0.38 -4.86 113.70 115.29 2kd2 s SER 156 Ca 0.44 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.58 2kd2 s SER 156 Cb -0.13 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.24 2kd2 s SER 156 CO 0.20 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.55 2kd2 n GLY 157 N 1.03 0.82 0.32 7.32 0.00 -1.26 -1.30 105.19 112.11 2kd2 n GLY 157 Ca -0.21 -2.25 -0.12 0.00 0.00 0.00 0.00 46.02 43.45 2kd2 n GLY 157 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2kd2 h LYS 158 N 0.00 -0.77 -2.69 1.61 3.64 -1.99 -3.41 116.57 112.97 2kd2 h LYS 158 Ca 0.00 0.05 -0.60 0.00 -1.27 0.00 0.00 60.65 58.83 2kd2 h LYS 158 Cb 0.00 0.17 -0.39 0.00 -0.41 0.00 0.00 32.23 31.60 2kd2 h LYS 158 CO 0.00 -0.51 -0.82 0.50 -2.27 0.00 0.00 179.45 176.35 2kd2 s ARG 159 N -4.69 1.27 -1.45 1.90 3.52 -1.26 -4.88 118.95 113.35 2kd2 s ARG 159 Ca -0.12 -2.23 -0.08 0.00 -0.13 0.00 0.00 55.73 53.17 2kd2 s ARG 159 Cb 0.01 -2.03 0.05 0.00 -1.56 0.00 0.00 34.95 31.42 2kd2 s ARG 159 CO 0.35 -1.29 0.82 1.63 -0.81 0.00 0.00 175.30 176.00 2kd2 n LYS 160 N 2.99 -4.95 -0.01 5.12 5.02 -1.26 -4.89 118.16 120.18 2kd2 n LYS 160 Ca 0.20 0.57 -0.12 0.00 -2.02 0.00 0.00 58.31 56.94 2kd2 n LYS 160 Cb 0.41 -5.26 -0.08 0.00 -0.02 0.00 0.00 35.03 30.07 2kd2 n LYS 160 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2kd2 h GLU 161 N -1.96 0.09 -3.17 1.97 4.81 -1.81 -3.45 114.58 111.06 2kd2 h GLU 161 Ca -0.60 -0.03 -0.21 0.00 -0.13 0.00 0.00 59.36 58.39 2kd2 h GLU 161 Cb 1.37 -0.01 -0.30 0.00 0.63 0.00 0.00 28.75 30.44 2kd2 h GLU 161 CO 0.64 0.39 -0.54 0.20 -0.73 0.00 0.00 179.01 178.97 2kd2 s GLY 162 N -2.92 -0.09 0.08 1.92 0.00 -0.42 -5.04 107.32 100.85 2kd2 s GLY 162 Ca -0.15 0.77 0.10 0.00 0.00 0.00 0.00 44.72 45.44 2kd2 s GLY 162 CO 0.69 0.98 -0.25 -0.42 0.00 0.00 0.00 173.10 174.10 2kd2 s ILE 163 N 0.99 2.30 -0.06 0.90 1.01 -1.26 -0.47 121.20 124.61 2kd2 s ILE 163 Ca -0.07 -1.51 0.01 0.00 0.00 0.00 0.00 60.65 59.07 2kd2 s ILE 163 Cb -0.09 -1.96 0.02 0.00 0.01 0.00 0.00 42.46 40.44 2kd2 s ILE 163 CO -0.06 0.24 -0.06 -0.63 0.00 0.00 0.00 174.94 174.44 2kd2 s ILE 164 N -0.93 0.73 -0.11 2.92 1.01 -0.40 -4.98 121.20 119.43 2kd2 s ILE 164 Ca 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 60.65 60.57 2kd2 s ILE 164 Cb -0.10 -0.74 -0.03 0.00 0.01 0.00 0.00 42.46 41.60 2kd2 s ILE 164 CO 0.04 0.28 -0.05 -1.00 0.00 0.00 0.00 174.94 174.22 2kd2 s HIS 165 N 1.12 2.99 -0.17 3.97 3.76 -1.26 -0.65 115.29 125.06 2kd2 s HIS 165 Ca -0.07 -0.12 0.00 0.00 -0.15 0.00 0.00 55.06 54.72 2kd2 s HIS 165 Cb -0.14 -1.83 0.03 0.00 1.11 0.00 0.00 32.58 31.76 2kd2 s HIS 165 CO -0.01 0.17 -0.10 0.95 -0.85 0.00 0.00 174.74 174.90 2kd2 s THR 166 N -0.28 1.41 0.15 1.30 -4.23 0.97 -4.95 115.64 110.01 2kd2 s THR 166 Ca 0.04 -0.72 -0.30 0.00 -1.18 0.00 0.00 61.69 59.54 2kd2 s THR 166 Cb -0.13 -1.45 -0.07 0.00 1.34 0.00 0.00 72.50 72.19 2kd2 s THR 166 CO 0.02 0.26 1.21 -0.22 -0.54 0.00 0.00 174.62 175.36 2kd2 s LEU 167 N 1.52 4.43 -0.09 4.79 2.96 -1.26 -0.07 118.68 130.96 2kd2 s LEU 167 Ca 0.02 2.19 -0.02 0.00 -0.22 0.00 0.00 54.13 56.10 2kd2 s LEU 167 Cb -0.15 -3.60 0.03 0.00 0.50 0.00 0.00 46.19 42.98 2kd2 s LEU 167 CO -0.09 -0.41 0.02 -0.63 -1.32 0.00 0.00 176.35 173.92 2kd2 s ILE 168 N 0.29 0.30 -0.12 6.68 1.01 -0.23 -0.15 121.20 128.97 2kd2 s ILE 168 Ca 0.55 0.06 0.03 0.00 0.00 0.00 0.00 60.65 61.29 2kd2 s ILE 168 Cb -0.32 -0.54 0.01 0.00 0.01 0.00 0.00 42.46 41.61 2kd2 s ILE 168 CO 0.34 0.16 -0.22 -0.69 0.00 0.00 0.00 174.94 174.53 2kd2 s VAL 169 N 2.00 2.00 -1.24 2.92 1.01 -0.78 -1.38 120.40 124.94 2kd2 s VAL 169 Ca 0.04 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 2kd2 s VAL 169 Cb -0.13 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.50 2kd2 s VAL 169 CO -0.05 0.54 0.65 -0.67 0.00 0.00 0.00 175.10 175.57 2kd2 n ASP 170 N 3.86 -5.43 -3.14 3.32 -0.08 -0.88 -2.49 116.55 111.71 2kd2 n ASP 170 Ca -0.20 -0.30 -0.19 0.00 -1.51 0.00 0.00 54.79 52.60 2kd2 n ASP 170 Cb 0.52 -4.20 0.07 0.00 2.34 0.00 0.00 41.12 39.85 2kd2 n ASP 170 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2kd2 n ASN 171 N -1.90 -4.65 -3.74 1.67 2.85 -1.26 -5.02 115.26 103.22 2kd2 n ASN 171 Ca -0.06 -0.48 -0.15 0.00 -0.11 0.00 0.00 54.58 53.77 2kd2 n ASN 171 Cb 0.59 -4.42 -0.15 0.00 1.24 0.00 0.00 39.78 37.03 2kd2 n ASN 171 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2kd2 s ARG 172 N -5.84 0.03 0.53 1.20 0.52 -1.04 -5.14 118.95 109.21 2kd2 s ARG 172 Ca 0.35 0.34 -0.22 0.00 -0.52 0.00 0.00 55.73 55.68 2kd2 s ARG 172 Cb -0.16 -0.24 -0.05 0.00 0.52 0.00 0.00 34.95 35.03 2kd2 s ARG 172 CO 0.63 -0.20 1.32 -2.00 0.02 0.00 0.00 175.30 175.07 2kd2 s GLU 173 N 1.35 3.25 -0.08 3.54 2.12 -1.26 -1.87 118.70 125.75 2kd2 s GLU 173 Ca -0.07 2.14 0.04 0.00 0.36 0.00 0.00 54.97 57.44 2kd2 s GLU 173 Cb -0.12 -2.28 0.00 0.00 0.26 0.00 0.00 34.13 31.99 2kd2 s GLU 173 CO -0.05 -1.07 -0.22 0.42 -0.54 0.00 0.00 175.26 173.80 2kd2 s ILE 174 N -1.36 1.86 0.27 -3.70 -1.09 0.79 -4.88 121.20 113.09 2kd2 s ILE 174 Ca 0.70 -0.92 -0.29 0.00 -2.23 0.00 0.00 60.65 57.91 2kd2 s ILE 174 Cb -0.38 -1.61 -0.10 0.00 -1.58 0.00 0.00 42.46 38.79 2kd2 s ILE 174 CO 0.45 0.52 1.25 -2.16 -1.23 0.00 0.00 174.94 173.77 2kd2 s PRO 175 N 0.28 4.44 -0.55 2.79 0.04 -1.26 -4.33 135.00 136.42 2kd2 s PRO 175 Ca -0.15 2.05 -0.22 0.00 0.04 0.00 0.00 61.00 62.72 2kd2 s PRO 175 Cb -0.16 -3.15 0.05 0.00 0.04 0.00 0.00 34.50 31.28 2kd2 s PRO 175 CO 0.07 -0.11 0.84 -2.00 0.04 0.00 0.00 177.00 175.84 2kd2 s GLU 176 N -1.09 3.24 0.14 4.56 -6.30 -1.26 -4.32 118.70 113.66 2kd2 s GLU 176 Ca 0.51 -0.53 -0.35 0.00 -2.50 0.00 0.00 54.97 52.10 2kd2 s GLU 176 Cb -0.37 -4.09 -0.15 0.00 0.00 0.00 0.00 34.13 29.53 2kd2 s GLU 176 CO 0.45 -1.43 1.45 -0.11 0.02 0.00 0.00 175.26 175.64 2kd2 n LEU 177 N 7.05 2.44 0.00 2.70 7.94 0.55 -4.88 117.00 132.80 2kd2 n LEU 177 Ca -0.02 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 55.99 2kd2 n LEU 177 Cb 0.47 -1.32 0.00 0.00 0.53 0.00 0.00 43.42 43.09 2kd2 n LEU 177 CO 0.61 -0.66 -0.47 0.35 -1.11 0.00 0.00 177.39 176.11 2kd2 n THR 178 N 2.86 0.00 -0.38 1.96 -2.24 -1.26 -4.46 114.28 110.76 2kd2 n THR 178 Ca 0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 2kd2 n THR 178 Cb 0.25 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 2kd2 n THR 178 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17