#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kd3 n ASP 49 N 0.00 2.67 -0.05 4.39 5.68 -1.26 -4.16 116.55 123.82 2kd3 n ASP 49 Ca 0.00 -2.27 -0.11 0.00 -0.50 0.00 0.00 54.79 51.92 2kd3 n ASP 49 Cb 0.00 -0.45 0.03 0.00 -1.14 0.00 0.00 41.12 39.56 2kd3 n ASP 49 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 2kd3 h VAL 50 N 1.89 1.29 -0.08 2.12 2.07 -2.02 -2.77 116.25 118.75 2kd3 h VAL 50 Ca 0.00 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 65.89 2kd3 h VAL 50 Cb 0.91 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 2kd3 h VAL 50 CO 0.14 0.53 0.00 -1.54 0.02 0.00 0.00 177.57 176.72 2kd3 n SER 51 N -4.02 0.68 0.23 0.57 3.41 -1.26 -3.88 113.62 109.35 2kd3 n SER 51 Ca -0.02 -1.60 0.09 0.00 -0.26 0.00 0.00 58.87 57.07 2kd3 n SER 51 Cb 0.56 -0.05 0.54 0.00 -0.26 0.00 0.00 64.21 65.00 2kd3 n SER 51 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2kd3 h GLU 52 N 0.88 0.00 0.00 4.33 4.11 -1.76 -3.39 114.58 118.75 2kd3 h GLU 52 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2kd3 h GLU 52 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2kd3 h GLU 52 CO 0.00 0.23 0.00 2.48 0.07 0.00 0.00 179.01 181.79 2kd3 n TYR 53 N -3.68 0.00 -3.14 2.06 4.11 -1.25 -4.93 117.16 110.32 2kd3 n TYR 53 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.89 2kd3 n TYR 53 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.69 2kd3 n TYR 53 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 2kd3 n SER 54 N -0.81 0.00 -2.80 9.48 2.88 -1.26 -4.67 113.62 116.44 2kd3 n SER 54 Ca 0.00 -0.50 -0.16 0.00 -1.33 0.00 0.00 58.87 56.88 2kd3 n SER 54 Cb 0.00 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.52 2kd3 n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kd3 s ARG 56 N -5.59 0.39 -0.66 0.00 1.04 -1.26 -4.84 118.95 108.04 2kd3 s ARG 56 Ca 0.26 -0.46 -0.08 0.00 -1.04 0.00 0.00 55.73 54.41 2kd3 s ARG 56 Cb -0.11 -0.23 0.08 0.00 -2.04 0.00 0.00 34.95 32.65 2kd3 s ARG 56 CO 0.54 0.05 0.21 0.39 -0.04 0.00 0.00 175.30 176.45 2kd3 n GLU 57 N 2.16 -1.31 -4.21 3.89 -0.58 -1.26 -4.82 120.64 114.52 2kd3 n GLU 57 Ca -0.18 0.05 -0.34 0.00 -0.42 0.00 0.00 57.16 56.27 2kd3 n GLU 57 Cb 0.56 -2.56 -0.15 0.00 -0.57 0.00 0.00 31.44 28.73 2kd3 n GLU 57 CO 0.00 0.00 0.00 -0.48 -0.48 0.00 0.00 177.13 176.17 2kd3 s LEU 58 N -3.82 2.51 -0.19 -4.62 -0.00 -1.26 -5.10 118.68 106.21 2kd3 s LEU 58 Ca 0.29 -0.49 -0.09 0.00 -0.00 0.00 0.00 54.13 53.83 2kd3 s LEU 58 Cb -0.17 -1.60 0.07 0.00 -0.00 0.00 0.00 46.19 44.49 2kd3 s LEU 58 CO 0.36 0.03 0.44 -1.00 -0.00 0.00 0.00 176.35 176.18 2kd3 s HIS 59 N 1.16 -0.70 0.08 3.48 3.76 -1.26 -4.72 115.29 117.09 2kd3 s HIS 59 Ca 0.01 1.44 0.07 0.00 -0.15 0.00 0.00 55.06 56.43 2kd3 s HIS 59 Cb -0.14 0.32 -0.03 0.00 1.11 0.00 0.00 32.58 33.84 2kd3 s HIS 59 CO -0.05 -0.40 -0.18 0.71 -0.85 0.00 0.00 174.74 173.98 2kd3 s TYR 60 N 1.69 1.52 -0.70 1.40 1.51 0.23 -4.95 117.35 118.05 2kd3 s TYR 60 Ca -0.08 -0.42 -0.07 0.00 -1.01 0.00 0.00 57.07 55.49 2kd3 s TYR 60 Cb -0.09 -0.86 0.18 0.00 -0.11 0.00 0.00 41.96 41.09 2kd3 s TYR 60 CO -0.14 0.12 0.56 0.95 -1.11 0.00 0.00 175.55 175.93 2kd3 s THR 61 N -1.13 4.40 -0.14 -0.71 -4.23 -1.26 0.04 115.64 112.61 2kd3 s THR 61 Ca 0.03 -2.77 0.02 0.00 -1.18 0.00 0.00 61.69 57.79 2kd3 s THR 61 Cb -0.10 -3.80 0.01 0.00 1.34 0.00 0.00 72.50 69.95 2kd3 s THR 61 CO 0.03 -0.93 -0.21 -0.13 -0.54 0.00 0.00 174.62 172.84 2kd3 s ARG 62 N 0.03 2.94 0.00 3.99 1.81 -1.26 -5.00 118.95 121.46 2kd3 s ARG 62 Ca 0.17 -0.83 0.00 0.00 -1.72 0.00 0.00 55.73 53.36 2kd3 s ARG 62 Cb -0.17 -2.38 0.00 0.00 -0.45 0.00 0.00 34.95 31.95 2kd3 s ARG 62 CO -0.05 -0.02 0.00 1.19 -0.68 0.00 0.00 175.30 175.74 2kd3 n PHE 63 N 4.08 0.00 -3.63 -0.53 3.72 -1.26 -4.77 117.46 115.08 2kd3 n PHE 63 Ca -0.20 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.11 2kd3 n PHE 63 Cb 0.51 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.99 2kd3 n PHE 63 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 176.76 176.23 2kd3 s LEU 64 N -1.68 -0.41 -0.02 4.37 2.34 -1.26 -4.86 118.68 117.15 2kd3 s LEU 64 Ca 0.00 0.73 0.01 0.00 0.06 0.00 0.00 54.13 54.94 2kd3 s LEU 64 Cb 0.00 1.83 0.01 0.00 -0.56 0.00 0.00 46.19 47.47 2kd3 s LEU 64 CO 0.00 -0.18 -0.05 0.42 -1.06 0.00 0.00 176.35 175.48 2kd3 s THR 65 N -0.03 0.49 0.00 5.48 -4.23 -1.26 -1.58 115.64 114.51 2kd3 s THR 65 Ca 0.03 -0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.36 2kd3 s THR 65 Cb -0.04 -0.47 0.00 0.00 1.34 0.00 0.00 72.50 73.32 2kd3 s THR 65 CO -0.05 0.18 0.00 0.47 -0.54 0.00 0.00 174.62 174.68 2kd3 n ASP 66 N 3.51 0.00 -2.24 3.99 8.00 -1.09 -5.05 116.55 123.67 2kd3 n ASP 66 Ca -0.20 -0.55 -0.23 0.00 0.71 0.00 0.00 54.79 54.52 2kd3 n ASP 66 Cb 0.54 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.63 2kd3 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kd3 n GLY 67 N 0.00 -1.20 0.00 0.44 0.00 -1.26 -2.80 105.19 100.37 2kd3 n GLY 67 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2kd3 n GLY 67 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kd3 n PRO 68 N 0.62 0.00 -3.48 1.61 -0.02 -1.26 -4.60 135.00 127.88 2kd3 n PRO 68 Ca 0.07 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.45 2kd3 n PRO 68 Cb 0.17 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.63 2kd3 n PRO 68 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kd3 s ARG 70 N -3.13 0.54 0.55 0.00 3.52 0.09 -2.67 118.95 117.85 2kd3 s ARG 70 Ca 0.02 0.33 -0.08 0.00 -0.13 0.00 0.00 55.73 55.87 2kd3 s ARG 70 Cb -0.01 0.25 -0.03 0.00 -1.56 0.00 0.00 34.95 33.60 2kd3 s ARG 70 CO -0.09 -0.10 0.90 0.45 -0.81 0.00 0.00 175.30 175.65 2kd3 s SER 71 N -0.27 6.13 0.00 -2.12 0.15 -0.62 0.13 113.70 117.11 2kd3 s SER 71 Ca -0.04 1.08 0.13 0.00 0.70 0.00 0.00 55.95 57.82 2kd3 s SER 71 Cb -0.03 -2.25 0.22 0.00 -1.71 0.00 0.00 66.02 62.25 2kd3 s SER 71 CO 0.02 -0.77 1.05 0.00 1.20 0.00 0.00 173.24 174.73 2kd3 n ALA 72 N -2.51 2.72 -1.59 5.45 0.00 -1.26 -4.53 120.51 118.79 2kd3 n ALA 72 Ca 0.03 -1.51 -0.32 0.00 0.00 0.00 0.00 53.44 51.64 2kd3 n ALA 72 Cb 0.55 -0.53 0.03 0.00 0.00 0.00 0.00 19.45 19.50 2kd3 n ALA 72 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2kd3 s LYS 73 N 0.00 3.07 0.01 0.00 1.02 -1.26 -4.93 119.74 117.65 2kd3 s LYS 73 Ca 0.17 1.22 -0.30 0.00 0.02 0.00 0.00 55.97 57.08 2kd3 s LYS 73 Cb 0.20 -2.00 -0.08 0.00 -0.52 0.00 0.00 37.83 35.43 2kd3 s LYS 73 CO -0.09 -1.01 1.93 -2.14 -0.92 0.00 0.00 175.35 173.13 2kd3 s PRO 74 N -4.26 4.09 0.03 -1.68 0.02 -1.26 -4.82 135.00 127.12 2kd3 s PRO 74 Ca 0.64 2.51 0.02 0.00 0.02 0.00 0.00 61.00 64.19 2kd3 s PRO 74 Cb -0.17 -4.15 -0.02 0.00 0.02 0.00 0.00 34.50 30.19 2kd3 s PRO 74 CO 0.42 -1.00 -0.07 0.14 -0.33 0.00 0.00 177.00 176.15 2kd3 s VAL 75 N 4.60 0.53 -0.18 3.83 -7.23 -1.26 -5.11 120.40 115.59 2kd3 s VAL 75 Ca 0.87 -0.84 -0.02 0.00 -1.81 0.00 0.00 61.98 60.18 2kd3 s VAL 75 Cb -0.41 -0.56 -0.01 0.00 0.56 0.00 0.00 36.38 35.97 2kd3 s VAL 75 CO 0.39 -0.22 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.97 2kd3 s THR 76 N -1.00 3.08 -0.02 5.32 2.01 -1.26 -4.42 115.64 119.35 2kd3 s THR 76 Ca -0.06 -0.61 0.04 0.00 0.31 0.00 0.00 61.69 61.37 2kd3 s THR 76 Cb -0.08 -2.35 -0.01 0.00 0.01 0.00 0.00 72.50 70.08 2kd3 s THR 76 CO 0.00 0.48 -0.14 -0.70 -0.69 0.00 0.00 174.62 173.57 2kd3 s GLU 77 N 1.01 1.28 -0.09 4.92 2.56 0.11 -4.68 118.70 123.81 2kd3 s GLU 77 Ca -0.01 -0.51 0.02 0.00 0.00 0.00 0.00 54.97 54.48 2kd3 s GLU 77 Cb -0.15 -1.20 -0.02 0.00 2.00 0.00 0.00 34.13 34.77 2kd3 s GLU 77 CO -0.01 0.27 -0.16 -0.51 -0.56 0.00 0.00 175.26 174.29 2kd3 s LEU 78 N -0.18 2.58 -0.95 2.70 1.02 -1.26 0.74 118.68 123.34 2kd3 s LEU 78 Ca 0.02 -0.33 -0.13 0.00 0.02 0.00 0.00 54.13 53.71 2kd3 s LEU 78 Cb -0.07 -1.54 0.22 0.00 0.02 0.00 0.00 46.19 44.81 2kd3 s LEU 78 CO 0.00 0.24 0.97 0.68 0.02 0.00 0.00 176.35 178.26 2kd3 s VAL 79 N -0.10 5.54 -0.38 -1.59 -7.23 -1.26 -4.92 120.40 110.47 2kd3 s VAL 79 Ca -0.03 -2.61 -0.13 0.00 -1.81 0.00 0.00 61.98 57.40 2kd3 s VAL 79 Cb -0.14 -4.59 0.01 0.00 0.56 0.00 0.00 36.38 32.22 2kd3 s VAL 79 CO 0.04 -1.19 0.26 0.00 -0.31 0.00 0.00 175.10 173.89 2kd3 s SER 81 N 1.67 1.46 0.02 0.00 0.15 0.34 -3.29 113.70 114.05 2kd3 s SER 81 Ca 0.05 -0.29 -0.27 0.00 0.70 0.00 0.00 55.95 56.14 2kd3 s SER 81 Cb -0.18 0.37 0.09 0.00 -1.71 0.00 0.00 66.02 64.59 2kd3 s SER 81 CO 0.09 -0.33 1.22 0.61 1.20 0.00 0.00 173.24 176.03 2kd3 n GLY 82 N 5.32 0.30 3.65 9.45 0.00 0.43 -4.71 105.19 119.63 2kd3 n GLY 82 Ca -0.05 -1.07 -0.32 0.00 0.00 0.00 0.00 46.02 44.58 2kd3 n GLY 82 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kd3 s GLN 83 N -2.02 2.68 -0.18 1.61 0.74 -1.26 -3.35 119.66 117.88 2kd3 s GLN 83 Ca 0.28 -0.67 -0.06 0.00 0.05 0.00 0.00 55.36 54.97 2kd3 s GLN 83 Cb -0.01 -2.60 -0.03 0.00 1.10 0.00 0.00 33.01 31.47 2kd3 s GLN 83 CO 0.01 0.61 0.02 0.00 -0.55 0.00 0.00 175.29 175.38 2kd3 n GLY 85 N 3.74 0.08 3.73 0.00 0.00 -1.26 -4.89 105.19 106.59 2kd3 n GLY 85 Ca -0.17 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 2kd3 n GLY 85 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kd3 s PRO 86 N -5.13 4.62 -0.06 1.61 0.04 -1.26 -4.94 135.00 129.88 2kd3 s PRO 86 Ca 0.16 1.64 0.11 0.00 0.04 0.00 0.00 61.00 62.94 2kd3 s PRO 86 Cb -0.07 -3.31 -0.16 0.00 0.04 0.00 0.00 34.50 31.00 2kd3 s PRO 86 CO 0.19 0.11 0.15 0.00 0.04 0.00 0.00 177.00 177.49 2kd3 n ALA 87 N 2.53 2.08 -2.75 8.56 0.00 -1.26 -4.87 120.51 124.81 2kd3 n ALA 87 Ca 0.03 -0.50 -0.42 0.00 0.00 0.00 0.00 53.44 52.55 2kd3 n ALA 87 Cb 0.47 -0.19 -0.03 0.00 0.00 0.00 0.00 19.45 19.70 2kd3 n ALA 87 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2kd3 s ARG 88 N -2.54 3.25 -0.30 0.00 6.06 -1.26 -4.99 118.95 119.17 2kd3 s ARG 88 Ca -0.05 -0.82 -0.15 0.00 -2.50 0.00 0.00 55.73 52.21 2kd3 s ARG 88 Cb 0.05 -4.43 -0.03 0.00 0.06 0.00 0.00 34.95 30.60 2kd3 s ARG 88 CO 0.46 -1.95 0.36 -0.51 -2.50 0.00 0.00 175.30 171.17 2kd3 s LEU 89 N 4.46 4.18 -0.24 -0.88 2.01 -1.26 -4.96 118.68 122.00 2kd3 s LEU 89 Ca 0.30 0.07 -0.03 0.00 0.01 0.00 0.00 54.13 54.48 2kd3 s LEU 89 Cb -0.11 -2.38 0.01 0.00 0.01 0.00 0.00 46.19 43.72 2kd3 s LEU 89 CO 0.07 -0.24 -0.04 -0.76 1.01 0.00 0.00 176.35 176.39 2kd3 s LEU 90 N 2.05 3.13 0.31 1.79 1.43 -1.26 -4.68 118.68 121.44 2kd3 s LEU 90 Ca 0.13 -0.64 -0.29 0.00 -1.03 0.00 0.00 54.13 52.30 2kd3 s LEU 90 Cb -0.16 -1.72 -0.11 0.00 0.03 0.00 0.00 46.19 44.23 2kd3 s LEU 90 CO 0.11 -0.09 1.51 -2.16 0.23 0.00 0.00 176.35 175.95 2kd3 s PRO 91 N 1.41 4.17 0.03 1.29 0.04 -1.21 -4.26 135.00 136.48 2kd3 s PRO 91 Ca 0.03 2.49 -0.01 0.00 0.04 0.00 0.00 61.00 63.55 2kd3 s PRO 91 Cb -0.16 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 2kd3 s PRO 91 CO -0.03 -0.53 0.18 -0.80 0.04 0.00 0.00 177.00 175.86 2kd3 s ASN 92 N 0.24 6.26 0.29 6.66 -0.87 -1.26 -4.85 114.94 121.42 2kd3 s ASN 92 Ca 0.59 0.27 0.24 0.00 -1.57 0.00 0.00 52.86 52.39 2kd3 s ASN 92 Cb -0.46 -1.92 0.32 0.00 -0.02 0.00 0.00 41.25 39.17 2kd3 s ASN 92 CO 0.51 0.21 1.44 0.00 -2.57 0.00 0.00 177.10 176.69 2kd3 h ALA 93 N 3.44 0.80 -3.62 0.60 0.00 -1.95 -3.43 119.26 115.11 2kd3 h ALA 93 Ca -0.47 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.32 2kd3 h ALA 93 Cb 1.17 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 2kd3 h ALA 93 CO 0.72 0.00 -0.18 -0.89 0.00 0.00 0.00 179.25 178.90 2kd3 n ILE 94 N -2.70 0.00 0.00 0.00 5.41 -1.26 0.13 119.36 120.94 2kd3 n ILE 94 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 2kd3 n ILE 94 Cb 0.51 -0.10 0.00 0.00 -0.71 0.00 0.00 39.64 39.34 2kd3 n ILE 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2kd3 n GLY 95 N -0.46 2.68 3.50 7.39 0.00 -1.26 -4.98 105.19 112.05 2kd3 n GLY 95 Ca 0.02 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 2kd3 n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kd3 s ARG 96 N 0.00 2.35 -0.06 1.61 1.81 0.35 -5.12 118.95 119.89 2kd3 s ARG 96 Ca 0.00 -0.81 0.05 0.00 -1.72 0.00 0.00 55.73 53.25 2kd3 s ARG 96 Cb 0.00 -2.34 -0.01 0.00 -0.45 0.00 0.00 34.95 32.16 2kd3 s ARG 96 CO 0.00 0.59 -0.22 0.08 -0.68 0.00 0.00 175.30 175.07 2kd3 s VAL 97 N -0.87 1.84 0.00 3.52 1.01 -1.26 -4.62 120.40 120.03 2kd3 s VAL 97 Ca 0.14 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.18 2kd3 s VAL 97 Cb -0.11 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.70 2kd3 s VAL 97 CO 0.04 0.52 0.00 2.29 0.00 0.00 0.00 175.10 177.95 2kd3 n LYS 98 N 3.14 0.00 -1.00 2.72 2.85 -1.26 -4.96 118.16 119.65 2kd3 n LYS 98 Ca -0.18 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 56.91 2kd3 n LYS 98 Cb 0.52 0.00 0.17 0.00 -0.65 0.00 0.00 35.03 35.08 2kd3 n LYS 98 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 177.40 174.68 2kd3 n TRP 99 N 0.00 2.48 -1.05 5.58 4.27 -1.26 -5.02 117.44 122.45 2kd3 n TRP 99 Ca 0.00 -1.51 -0.38 0.00 -3.89 0.00 0.00 57.50 51.72 2kd3 n TRP 99 Cb 0.00 -0.79 -0.04 0.00 -1.36 0.00 0.00 31.31 29.12 2kd3 n TRP 99 CO 0.00 0.00 0.00 0.91 -2.29 0.00 0.00 177.69 176.31 2kd3 n TRP 100 N -0.71 -0.03 -3.85 -2.67 5.03 -1.26 -4.91 117.44 109.04 2kd3 n TRP 100 Ca 0.47 0.73 -0.28 0.00 3.03 0.00 0.00 57.50 61.45 2kd3 n TRP 100 Cb 1.44 -1.46 -0.12 0.00 -1.03 0.00 0.00 31.31 30.13 2kd3 n TRP 100 CO 0.00 0.00 0.00 1.03 -0.03 0.00 0.00 177.69 178.69 2kd3 s ARG 101 N -0.44 2.15 0.00 -0.99 0.52 -1.26 -4.92 118.95 114.01 2kd3 s ARG 101 Ca 0.54 -3.02 0.04 0.00 -0.52 0.00 0.00 55.73 52.77 2kd3 s ARG 101 Cb -0.77 -3.14 0.19 0.00 0.52 0.00 0.00 34.95 31.75 2kd3 s ARG 101 CO 0.41 -1.26 0.99 -2.30 0.02 0.00 0.00 175.30 173.16 2kd3 n PRO 102 N 2.35 0.05 -0.01 3.54 -0.02 -1.26 -2.41 135.00 137.23 2kd3 n PRO 102 Ca 0.17 0.28 0.05 0.00 -2.02 0.00 0.00 63.50 61.98 2kd3 n PRO 102 Cb 0.36 -1.50 0.43 0.00 -0.02 0.00 0.00 33.50 32.76 2kd3 n PRO 102 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 2kd3 h ASN 103 N 0.00 0.48 -5.00 2.55 -0.73 -1.91 -3.39 115.58 107.59 2kd3 h ASN 103 Ca 0.00 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.16 2kd3 h ASN 103 Cb 0.04 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 38.52 2kd3 h ASN 103 CO 0.00 0.34 0.00 0.61 -0.37 0.00 0.00 177.43 178.01 2kd3 n GLY 104 N -1.48 2.37 3.52 1.57 0.00 -1.01 -4.70 105.19 105.46 2kd3 n GLY 104 Ca 0.04 -1.80 -0.29 0.00 0.00 0.00 0.00 46.02 43.98 2kd3 n GLY 104 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kd3 s PRO 105 N -3.68 -0.66 -0.60 1.61 0.02 -1.26 -4.82 135.00 125.61 2kd3 s PRO 105 Ca 0.00 0.87 -0.26 0.00 0.02 0.00 0.00 61.00 61.63 2kd3 s PRO 105 Cb 0.00 -1.58 -0.06 0.00 0.02 0.00 0.00 34.50 32.88 2kd3 s PRO 105 CO 0.00 -3.56 2.20 -0.51 -0.33 0.00 0.00 177.00 174.81 2kd3 s ASP 106 N -2.62 4.68 -0.07 2.53 1.01 -1.26 -4.94 116.67 116.00 2kd3 s ASP 106 Ca 0.68 0.57 0.02 0.00 0.71 0.00 0.00 52.55 54.53 2kd3 s ASP 106 Cb -0.24 -2.52 -0.03 0.00 1.01 0.00 0.00 42.92 41.14 2kd3 s ASP 106 CO 0.63 -2.85 -0.12 -0.36 0.21 0.00 0.00 175.17 172.69 2kd3 s PHE 107 N 11.42 2.80 0.00 4.23 0.08 -1.26 -4.21 117.98 131.04 2kd3 s PHE 107 Ca 0.85 -0.18 0.00 0.00 0.12 0.00 0.00 56.93 57.72 2kd3 s PHE 107 Cb -0.14 -1.70 0.00 0.00 -0.57 0.00 0.00 43.02 40.61 2kd3 s PHE 107 CO 0.20 0.16 0.00 -2.13 -0.10 0.00 0.00 175.22 173.35 2kd3 n ARG 108 N 2.52 0.00 0.00 0.44 0.63 0.70 -4.46 116.66 116.48 2kd3 n ARG 108 Ca -0.18 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.75 2kd3 n ARG 108 Cb 0.52 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.43 2kd3 n ARG 108 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2kd3 s ILE 110 N 0.00 0.01 0.32 0.00 1.01 -0.89 0.13 121.20 121.77 2kd3 s ILE 110 Ca 0.00 -0.09 -0.29 0.00 0.00 0.00 0.00 60.65 60.27 2kd3 s ILE 110 Cb 0.00 -0.42 -0.13 0.00 0.01 0.00 0.00 42.46 41.92 2kd3 s ILE 110 CO 0.00 -0.05 1.31 -0.81 0.00 0.00 0.00 174.94 175.39 2kd3 n PRO 111 N 2.67 2.10 0.05 2.79 -0.04 -1.21 -2.91 135.00 138.45 2kd3 n PRO 111 Ca -0.14 0.74 0.00 0.00 -0.04 0.00 0.00 63.50 64.06 2kd3 n PRO 111 Cb 0.58 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 2kd3 n PRO 111 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kd3 n ASP 112 N 1.05 0.46 -4.46 3.54 8.00 -1.26 -4.85 116.55 119.04 2kd3 n ASP 112 Ca 0.06 0.15 -0.28 0.00 0.71 0.00 0.00 54.79 55.43 2kd3 n ASP 112 Cb 0.35 -0.08 -0.12 0.00 -0.02 0.00 0.00 41.12 41.26 2kd3 n ASP 112 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2kd3 s ARG 113 N -2.00 1.65 0.25 -1.24 3.52 -1.23 -5.07 118.95 114.82 2kd3 s ARG 113 Ca 0.00 -1.34 0.06 0.00 -0.13 0.00 0.00 55.73 54.31 2kd3 s ARG 113 Cb 0.00 -1.98 -0.05 0.00 -1.56 0.00 0.00 34.95 31.35 2kd3 s ARG 113 CO 0.00 0.44 -0.05 0.71 -0.81 0.00 0.00 175.30 175.59 2kd3 s TYR 114 N -1.37 1.76 -0.01 5.12 1.51 -1.26 -3.63 117.35 119.48 2kd3 s TYR 114 Ca 0.19 -0.76 -0.04 0.00 -1.01 0.00 0.00 57.07 55.45 2kd3 s TYR 114 Cb -0.09 -0.98 -0.04 0.00 -0.11 0.00 0.00 41.96 40.73 2kd3 s TYR 114 CO 0.10 0.18 0.21 0.50 -1.11 0.00 0.00 175.55 175.42 2kd3 s ARG 115 N -3.76 3.48 -0.35 -0.62 3.52 0.67 -4.75 118.95 117.14 2kd3 s ARG 115 Ca 0.28 -0.23 -0.21 0.00 -0.13 0.00 0.00 55.73 55.44 2kd3 s ARG 115 Cb 0.04 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.33 2kd3 s ARG 115 CO 0.10 0.67 0.64 0.00 -0.81 0.00 0.00 175.30 175.90 2kd3 s ALA 116 N -1.30 3.47 -0.02 6.12 0.00 -1.26 -1.81 121.76 126.96 2kd3 s ALA 116 Ca 0.27 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.45 2kd3 s ALA 116 Cb -0.13 -3.17 -0.00 0.00 0.00 0.00 0.00 23.12 19.82 2kd3 s ALA 116 CO 0.17 -1.30 -0.09 1.14 0.00 0.00 0.00 175.76 175.67 2kd3 s GLN 117 N 2.71 0.91 -0.21 0.00 -2.07 -0.76 -4.98 119.66 115.26 2kd3 s GLN 117 Ca 0.25 -0.33 -0.00 0.00 -1.82 0.00 0.00 55.36 53.46 2kd3 s GLN 117 Cb -0.14 -0.86 0.05 0.00 -1.09 0.00 0.00 33.01 30.97 2kd3 s GLN 117 CO 0.14 0.15 -0.04 1.03 -1.32 0.00 0.00 175.29 175.25 2kd3 s ARG 118 N 0.04 1.45 0.05 9.60 0.52 -1.26 0.39 118.95 129.74 2kd3 s ARG 118 Ca -0.01 -0.75 0.06 0.00 -0.52 0.00 0.00 55.73 54.51 2kd3 s ARG 118 Cb -0.07 -2.33 -0.03 0.00 0.52 0.00 0.00 34.95 33.04 2kd3 s ARG 118 CO 0.00 -0.54 -0.17 0.08 0.02 0.00 0.00 175.30 174.69 2kd3 s VAL 119 N 1.54 1.39 0.05 3.52 1.01 -0.99 -4.87 120.40 122.06 2kd3 s VAL 119 Ca -0.03 -1.16 -0.30 0.00 0.00 0.00 0.00 61.98 60.49 2kd3 s VAL 119 Cb -0.17 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 2kd3 s VAL 119 CO -0.07 0.06 1.04 -1.10 0.00 0.00 0.00 175.10 175.03 2kd3 s GLN 120 N -1.29 4.56 -0.17 2.72 1.11 -1.25 -2.32 119.66 123.01 2kd3 s GLN 120 Ca 0.04 1.54 -0.29 0.00 0.01 0.00 0.00 55.36 56.66 2kd3 s GLN 120 Cb -0.09 -3.40 -0.00 0.00 -1.01 0.00 0.00 33.01 28.51 2kd3 s GLN 120 CO 0.02 -0.04 1.06 -0.51 0.01 0.00 0.00 175.29 175.82 2kd3 s LEU 121 N 0.72 4.17 0.10 2.90 1.43 0.59 -4.44 118.68 124.15 2kd3 s LEU 121 Ca 0.53 1.48 -0.26 0.00 -1.03 0.00 0.00 54.13 54.85 2kd3 s LEU 121 Cb -0.24 -3.55 -0.07 0.00 0.03 0.00 0.00 46.19 42.37 2kd3 s LEU 121 CO 0.29 -0.60 0.80 -0.76 0.23 0.00 0.00 176.35 176.31 2kd3 s LEU 122 N 2.77 4.52 0.24 1.79 1.02 0.36 -2.39 118.68 126.98 2kd3 s LEU 122 Ca 0.47 1.58 0.09 0.00 0.02 0.00 0.00 54.13 56.29 2kd3 s LEU 122 Cb -0.17 -3.31 -0.04 0.00 0.02 0.00 0.00 46.19 42.68 2kd3 s LEU 122 CO 0.12 0.08 0.03 0.00 0.02 0.00 0.00 176.35 176.59 2kd3 n PRO 124 N -0.72 1.24 0.00 0.00 -0.02 -1.26 0.13 135.00 134.37 2kd3 n PRO 124 Ca -0.08 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2kd3 n PRO 124 Cb 0.58 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 2kd3 n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kd3 n GLY 125 N 6.30 1.23 2.71 -1.23 0.00 -1.26 -4.52 105.19 108.42 2kd3 n GLY 125 Ca 0.39 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.30 2kd3 n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kd3 n GLY 126 N -2.00 -0.39 0.00 -0.02 0.00 0.35 -4.98 105.19 98.16 2kd3 n GLY 126 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2kd3 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kd3 n ALA 127 N -2.88 1.99 -2.82 4.61 0.00 -1.26 -4.82 120.51 115.33 2kd3 n ALA 127 Ca -0.10 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.07 2kd3 n ALA 127 Cb 0.60 0.09 -0.03 0.00 0.00 0.00 0.00 19.45 20.11 2kd3 n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kd3 n ALA 128 N -1.66 4.65 -1.77 0.00 0.00 -1.26 -5.07 120.51 115.39 2kd3 n ALA 128 Ca 0.00 -4.52 -0.40 0.00 0.00 0.00 0.00 53.44 48.52 2kd3 n ALA 128 Cb 0.17 -0.69 -0.02 0.00 0.00 0.00 0.00 19.45 18.92 2kd3 n ALA 128 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2kd3 s PRO 129 N -3.44 4.20 -0.01 0.00 0.04 -1.26 -4.54 135.00 129.99 2kd3 s PRO 129 Ca 0.48 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.64 2kd3 s PRO 129 Cb 0.32 -2.92 0.01 0.00 0.04 0.00 0.00 34.50 31.95 2kd3 s PRO 129 CO -0.15 -0.29 0.01 1.03 0.04 0.00 0.00 177.00 177.64 2kd3 s ARG 130 N -2.00 0.03 -0.02 4.56 0.52 -1.01 -4.86 118.95 116.18 2kd3 s ARG 130 Ca 0.52 0.05 -0.21 0.00 -0.52 0.00 0.00 55.73 55.57 2kd3 s ARG 130 Cb -0.37 -0.13 -0.05 0.00 0.52 0.00 0.00 34.95 34.92 2kd3 s ARG 130 CO 0.49 -0.05 0.63 0.45 0.02 0.00 0.00 175.30 176.84 2kd3 s SER 131 N 0.37 6.99 -0.00 0.23 0.15 -1.26 0.22 113.70 120.39 2kd3 s SER 131 Ca -0.03 1.18 0.00 0.00 0.70 0.00 0.00 55.95 57.80 2kd3 s SER 131 Cb -0.05 -2.38 0.01 0.00 -1.71 0.00 0.00 66.02 61.89 2kd3 s SER 131 CO -0.01 0.05 0.01 -0.60 1.20 0.00 0.00 173.24 173.88 2kd3 s ARG 132 N 0.05 -0.00 0.17 5.44 3.52 -0.98 -4.96 118.95 122.19 2kd3 s ARG 132 Ca 0.33 0.03 -0.19 0.00 -0.13 0.00 0.00 55.73 55.77 2kd3 s ARG 132 Cb -0.18 -0.05 -0.08 0.00 -1.56 0.00 0.00 34.95 33.08 2kd3 s ARG 132 CO 0.18 -0.03 0.67 -1.59 -0.81 0.00 0.00 175.30 173.71 2kd3 s LYS 133 N 0.21 4.24 -0.06 5.12 -2.85 -1.26 -2.34 119.74 122.79 2kd3 s LYS 133 Ca -0.02 0.81 -0.02 0.00 -1.00 0.00 0.00 55.97 55.74 2kd3 s LYS 133 Cb -0.03 -3.02 0.04 0.00 -2.06 0.00 0.00 37.83 32.76 2kd3 s LYS 133 CO -0.01 0.49 0.12 0.08 0.10 0.00 0.00 175.35 176.14 2kd3 s VAL 134 N -1.37 -0.12 -0.62 1.79 1.01 0.16 -4.98 120.40 116.28 2kd3 s VAL 134 Ca 0.38 0.26 -0.18 0.00 0.00 0.00 0.00 61.98 62.44 2kd3 s VAL 134 Cb -0.18 -0.22 0.11 0.00 0.00 0.00 0.00 36.38 36.09 2kd3 s VAL 134 CO 0.21 0.11 0.71 -0.13 0.00 0.00 0.00 175.10 176.00 2kd3 s ARG 135 N 1.59 3.09 -0.15 2.72 0.52 -1.26 -1.83 118.95 123.64 2kd3 s ARG 135 Ca -0.04 -1.43 -0.05 0.00 -0.52 0.00 0.00 55.73 53.69 2kd3 s ARG 135 Cb -0.12 -4.31 -0.04 0.00 0.52 0.00 0.00 34.95 31.01 2kd3 s ARG 135 CO -0.05 -1.53 0.04 -0.51 0.02 0.00 0.00 175.30 173.27 2kd3 s LEU 136 N 2.49 3.75 -0.91 2.53 1.43 -0.75 -4.76 118.68 122.46 2kd3 s LEU 136 Ca 0.12 0.12 -0.25 0.00 -1.03 0.00 0.00 54.13 53.10 2kd3 s LEU 136 Cb -0.23 -1.92 -0.06 0.00 0.03 0.00 0.00 46.19 44.02 2kd3 s LEU 136 CO 0.05 0.26 1.98 0.68 0.23 0.00 0.00 176.35 179.55 2kd3 s VAL 137 N -0.14 3.42 -0.74 -1.59 -7.23 -1.25 0.24 120.40 113.10 2kd3 s VAL 137 Ca 0.06 -0.37 0.21 0.00 -1.81 0.00 0.00 61.98 60.07 2kd3 s VAL 137 Cb -0.12 -3.96 0.21 0.00 0.56 0.00 0.00 36.38 33.07 2kd3 s VAL 137 CO 0.01 -0.87 1.66 0.00 -0.31 0.00 0.00 175.10 175.60 2kd3 n ALA 138 N 14.42 1.81 -3.64 1.32 0.00 -1.24 -3.99 120.51 129.20 2kd3 n ALA 138 Ca 0.41 0.01 -0.06 0.00 0.00 0.00 0.00 53.44 53.79 2kd3 n ALA 138 Cb 0.47 -1.36 -0.07 0.00 0.00 0.00 0.00 19.45 18.49 2kd3 n ALA 138 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kd3 s SER 139 N -3.73 -0.89 0.21 0.00 0.15 -1.26 -5.03 113.70 103.15 2kd3 s SER 139 Ca 0.07 1.42 0.08 0.00 0.70 0.00 0.00 55.95 58.22 2kd3 s SER 139 Cb 0.11 1.37 -0.05 0.00 -1.71 0.00 0.00 66.02 65.75 2kd3 s SER 139 CO 0.39 -0.22 -0.15 0.00 1.20 0.00 0.00 173.24 174.46 2kd3 s LYS 141 N -3.64 1.46 -0.30 0.00 2.20 -1.15 -4.92 119.74 113.39 2kd3 s LYS 141 Ca 0.23 -1.62 -0.31 0.00 -0.36 0.00 0.00 55.97 53.90 2kd3 s LYS 141 Cb -0.01 -1.43 -0.08 0.00 -1.51 0.00 0.00 37.83 34.80 2kd3 s LYS 141 CO 0.07 0.26 2.23 0.00 -0.36 0.00 0.00 175.35 177.55 2kd3 s LYS 143 N 6.47 0.19 0.00 0.00 -0.14 -1.26 -4.76 119.74 120.24 2kd3 s LYS 143 Ca 1.05 -0.31 0.28 0.00 -1.36 0.00 0.00 55.97 55.63 2kd3 s LYS 143 Cb -0.56 -0.01 1.67 0.00 -1.68 0.00 0.00 37.83 37.25 2kd3 s LYS 143 CO 0.41 -0.01 2.02 2.89 -0.76 0.00 0.00 175.35 179.90