#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 2.91 0.03 4.39 8.00 -1.26 -4.09 116.55 126.53 2kd3 n ASP 49 Ca 0.00 -2.34 0.09 0.00 0.71 0.00 0.00 54.79 53.26 2kd3 n ASP 49 Cb 0.00 -0.51 0.39 0.00 -0.02 0.00 0.00 41.12 40.99 2kd3 n ASP 49 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2kd3 n VAL 50 N 0.34 0.81 0.00 2.53 0.31 -1.26 -2.73 118.33 118.34 2kd3 n VAL 50 Ca 0.13 0.19 0.05 0.00 -0.01 0.00 0.00 64.34 64.69 2kd3 n VAL 50 Cb 0.60 -0.95 0.44 0.00 -0.91 0.00 0.00 33.84 33.02 2kd3 n VAL 50 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2kd3 h SER 51 N 0.00 0.45 -0.22 4.52 0.02 -2.00 0.25 113.55 116.58 2kd3 h SER 51 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2kd3 h SER 51 Cb 0.33 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2kd3 h SER 51 CO 0.00 0.32 0.00 -0.62 -1.14 0.00 0.00 176.83 175.39 2kd3 n GLU 52 N -4.48 1.77 -1.03 3.45 1.02 -1.10 -3.75 120.64 116.52 2kd3 n GLU 52 Ca 0.03 -0.90 0.05 0.00 -0.02 0.00 0.00 57.16 56.32 2kd3 n GLU 52 Cb 0.08 -1.37 0.13 0.00 -0.02 0.00 0.00 31.44 30.26 2kd3 n GLU 52 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2kd3 n TYR 53 N 0.19 0.07 -2.25 -0.32 9.36 0.87 -4.67 117.16 120.42 2kd3 n TYR 53 Ca 0.08 -1.11 -0.42 0.00 3.32 0.00 0.00 57.90 59.77 2kd3 n TYR 53 Cb 0.31 -0.21 -0.03 0.00 -0.63 0.00 0.00 39.34 38.78 2kd3 n TYR 53 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 2kd3 s SER 54 N -2.75 6.91 0.32 2.98 0.01 0.26 0.74 113.70 122.18 2kd3 s SER 54 Ca 0.36 2.27 0.13 0.00 1.31 0.00 0.00 55.95 60.03 2kd3 s SER 54 Cb 0.38 -2.59 0.53 0.00 0.21 0.00 0.00 66.02 64.55 2kd3 s SER 54 CO -0.11 -0.56 1.70 0.00 0.41 0.00 0.00 173.24 174.67 2kd3 n ARG 56 N -3.81 0.00 -2.69 0.00 1.85 -1.26 -4.57 116.66 106.18 2kd3 n ARG 56 Ca -0.01 0.08 -0.05 0.00 -1.00 0.00 0.00 57.85 56.87 2kd3 n ARG 56 Cb 0.54 -0.25 0.10 0.00 -1.05 0.00 0.00 32.46 31.79 2kd3 n ARG 56 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 2kd3 n GLU 57 N -0.32 0.40 -3.90 2.89 4.07 -1.26 -5.14 120.64 117.38 2kd3 n GLU 57 Ca 0.00 -1.08 -0.37 0.00 -0.06 0.00 0.00 57.16 55.65 2kd3 n GLU 57 Cb 0.00 -0.48 -0.06 0.00 -0.06 0.00 0.00 31.44 30.84 2kd3 n GLU 57 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 2kd3 s LEU 58 N -1.21 4.36 -0.01 4.31 0.20 -1.26 -5.08 118.68 119.99 2kd3 s LEU 58 Ca 0.23 0.46 0.03 0.00 0.69 0.00 0.00 54.13 55.53 2kd3 s LEU 58 Cb 0.27 -2.08 -0.01 0.00 -0.43 0.00 0.00 46.19 43.95 2kd3 s LEU 58 CO -0.15 0.40 -0.10 -1.00 -0.29 0.00 0.00 176.35 175.22 2kd3 s HIS 59 N -1.03 0.91 0.15 5.38 3.76 -1.25 -3.29 115.29 119.92 2kd3 s HIS 59 Ca 0.15 -0.19 0.09 0.00 -0.15 0.00 0.00 55.06 54.97 2kd3 s HIS 59 Cb -0.12 -0.60 -0.04 0.00 1.11 0.00 0.00 32.58 32.93 2kd3 s HIS 59 CO 0.04 -0.03 -0.14 0.71 -0.85 0.00 0.00 174.74 174.47 2kd3 s TYR 60 N -0.14 2.57 -1.07 1.40 2.02 0.18 -4.87 117.35 117.45 2kd3 s TYR 60 Ca 0.02 -0.24 -0.07 0.00 -0.37 0.00 0.00 57.07 56.41 2kd3 s TYR 60 Cb -0.05 -1.30 0.27 0.00 -0.40 0.00 0.00 41.96 40.48 2kd3 s TYR 60 CO -0.00 0.46 1.05 0.25 -1.57 0.00 0.00 175.55 175.74 2kd3 n THR 61 N 0.37 4.24 -4.10 -0.71 -2.24 -1.26 -2.28 114.28 108.29 2kd3 n THR 61 Ca -0.13 -5.34 -0.33 0.00 -2.27 0.00 0.00 64.05 55.98 2kd3 n THR 61 Cb 0.54 -2.52 -0.16 0.00 -2.10 0.00 0.00 70.33 66.09 2kd3 n THR 61 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2kd3 s ARG 62 N -1.37 3.07 0.00 -0.78 6.06 -1.26 -5.01 118.95 119.66 2kd3 s ARG 62 Ca 0.30 -0.79 0.00 0.00 -2.50 0.00 0.00 55.73 52.74 2kd3 s ARG 62 Cb -0.09 -2.65 0.00 0.00 0.06 0.00 0.00 34.95 32.27 2kd3 s ARG 62 CO -0.09 -0.20 0.00 1.19 -2.50 0.00 0.00 175.30 173.71 2kd3 n PHE 63 N 4.63 0.00 -3.64 5.12 3.72 -1.26 -4.78 117.46 121.25 2kd3 n PHE 63 Ca -0.20 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.12 2kd3 n PHE 63 Cb 0.50 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.97 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 -2.68 -0.47 0.07 4.37 2.34 -1.26 -4.81 118.68 116.24 2kd3 s LEU 64 Ca 0.00 0.86 0.06 0.00 0.06 0.00 0.00 54.13 55.11 2kd3 s LEU 64 Cb 0.00 1.85 -0.03 0.00 -0.56 0.00 0.00 46.19 47.45 2kd3 s LEU 64 CO 0.00 -0.15 -0.15 0.42 -1.06 0.00 0.00 176.35 175.41 2kd3 s THR 65 N 0.48 1.23 0.00 5.48 -4.23 -1.26 -1.54 115.64 115.80 2kd3 s THR 65 Ca 0.00 -1.29 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 2kd3 s THR 65 Cb -0.05 -1.15 0.00 0.00 1.34 0.00 0.00 72.50 72.64 2kd3 s THR 65 CO -0.08 -0.15 0.00 -0.67 -0.54 0.00 0.00 174.62 173.18 2kd3 n ASP 66 N 1.37 0.00 -2.63 3.99 2.03 -1.03 -5.03 116.55 115.25 2kd3 n ASP 66 Ca -0.20 -0.55 -0.25 0.00 0.52 0.00 0.00 54.79 54.30 2kd3 n ASP 66 Cb 0.54 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 2kd3 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kd3 n GLY 67 N 0.00 -1.75 0.00 0.27 0.00 -1.26 -2.77 105.19 99.67 2kd3 n GLY 67 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.85 0.00 -3.54 1.61 -0.02 -1.26 -4.56 135.00 128.08 2kd3 n PRO 68 Ca 0.06 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.45 2kd3 n PRO 68 Cb 0.26 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.72 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 -3.59 0.88 0.80 0.00 3.52 -0.30 -2.45 118.95 117.81 2kd3 s ARG 70 Ca 0.04 0.59 -0.10 0.00 -0.13 0.00 0.00 55.73 56.13 2kd3 s ARG 70 Cb -0.02 0.42 0.10 0.00 -1.56 0.00 0.00 34.95 33.89 2kd3 s ARG 70 CO -0.08 -0.19 1.13 -1.54 -0.81 0.00 0.00 175.30 173.82 2kd3 s SER 71 N -0.37 4.31 -0.20 -2.12 1.04 -0.59 -0.00 113.70 115.76 2kd3 s SER 71 Ca -0.05 0.45 0.14 0.00 0.48 0.00 0.00 55.95 56.97 2kd3 s SER 71 Cb -0.03 -0.90 0.34 0.00 0.10 0.00 0.00 66.02 65.54 2kd3 s SER 71 CO 0.05 -1.97 1.28 0.00 0.98 0.00 0.00 173.24 173.58 2kd3 n ALA 72 N -3.23 2.96 -1.87 5.32 0.00 -1.26 -4.66 120.51 117.77 2kd3 n ALA 72 Ca 0.10 -1.50 -0.30 0.00 0.00 0.00 0.00 53.44 51.73 2kd3 n ALA 72 Cb 0.60 -0.71 0.04 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.83 2.98 -0.11 0.00 -0.14 -1.26 -4.97 119.74 115.41 2kd3 s LYS 73 Ca 0.14 0.52 -0.29 0.00 -1.36 0.00 0.00 55.97 54.98 2kd3 s LYS 73 Cb 0.31 -2.03 -0.06 0.00 -1.68 0.00 0.00 37.83 34.37 2kd3 s LYS 73 CO -0.08 -0.96 1.90 -2.14 -0.76 0.00 0.00 175.35 173.31 2kd3 s PRO 74 N -5.32 3.79 -0.01 -1.68 0.02 -1.26 -4.80 135.00 125.74 2kd3 s PRO 74 Ca 0.58 2.16 -0.00 0.00 0.02 0.00 0.00 61.00 63.75 2kd3 s PRO 74 Cb -0.11 -4.16 0.01 0.00 0.02 0.00 0.00 34.50 30.26 2kd3 s PRO 74 CO 0.52 -1.33 0.01 0.14 -0.33 0.00 0.00 177.00 176.01 2kd3 s VAL 75 N 5.61 -0.02 -0.11 3.83 -7.23 -1.26 -5.09 120.40 116.13 2kd3 s VAL 75 Ca 0.85 0.08 0.01 0.00 -1.81 0.00 0.00 61.98 61.11 2kd3 s VAL 75 Cb -0.34 -0.04 0.02 0.00 0.56 0.00 0.00 36.38 36.58 2kd3 s VAL 75 CO 0.35 0.03 -0.13 -0.89 -0.31 0.00 0.00 175.10 174.16 2kd3 s THR 76 N 0.38 1.36 0.06 5.32 2.01 -1.26 -4.28 115.64 119.23 2kd3 s THR 76 Ca -0.03 -0.54 0.05 0.00 0.31 0.00 0.00 61.69 61.48 2kd3 s THR 76 Cb -0.05 -1.28 -0.03 0.00 0.01 0.00 0.00 72.50 71.16 2kd3 s THR 76 CO -0.01 0.42 -0.13 -1.83 -0.69 0.00 0.00 174.62 172.37 2kd3 s GLU 77 N 1.25 0.81 0.21 4.92 -1.05 -0.97 -4.02 118.70 119.86 2kd3 s GLU 77 Ca -0.02 -0.86 0.05 0.00 -0.15 0.00 0.00 54.97 53.98 2kd3 s GLU 77 Cb -0.14 -0.79 -0.03 0.00 -0.44 0.00 0.00 34.13 32.72 2kd3 s GLU 77 CO -0.05 0.18 0.31 -0.51 0.95 0.00 0.00 175.26 176.14 2kd3 s LEU 78 N -1.53 4.23 -0.45 1.83 1.02 0.11 0.51 118.68 124.41 2kd3 s LEU 78 Ca -0.02 0.04 0.03 0.00 0.02 0.00 0.00 54.13 54.21 2kd3 s LEU 78 Cb -0.09 -2.78 0.16 0.00 0.02 0.00 0.00 46.19 43.49 2kd3 s LEU 78 CO 0.02 -0.03 0.32 0.68 0.02 0.00 0.00 176.35 177.36 2kd3 s VAL 79 N -1.92 0.87 -0.12 -1.59 -7.23 -1.21 -4.88 120.40 104.32 2kd3 s VAL 79 Ca 0.34 -2.68 -0.09 0.00 -1.81 0.00 0.00 61.98 57.74 2kd3 s VAL 79 Cb -0.09 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.19 2kd3 s VAL 79 CO 0.28 -1.09 0.19 0.00 -0.31 0.00 0.00 175.10 174.18 2kd3 s SER 81 N -0.65 0.35 0.00 0.00 0.15 3.69 -3.66 113.70 113.58 2kd3 s SER 81 Ca 0.15 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.89 2kd3 s SER 81 Cb -0.13 1.07 0.00 0.00 -1.71 0.00 0.00 66.02 65.25 2kd3 s SER 81 CO 0.04 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.78 2kd3 n GLY 82 N 5.36 2.95 3.66 9.45 0.00 -1.26 -3.85 105.19 121.49 2kd3 n GLY 82 Ca -0.03 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 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 1.84 2.85 0.13 1.61 0.74 -1.26 -3.68 119.66 121.89 2kd3 s GLN 83 Ca 0.00 -0.51 0.02 0.00 0.05 0.00 0.00 55.36 54.92 2kd3 s GLN 83 Cb 0.00 -2.70 -0.04 0.00 1.10 0.00 0.00 33.01 31.37 2kd3 s GLN 83 CO 0.00 0.67 0.25 0.00 -0.55 0.00 0.00 175.29 175.65 2kd3 h GLY 85 N 2.42 0.28 -5.09 0.00 0.00 -2.00 -3.42 103.07 95.26 2kd3 h GLY 85 Ca -0.48 0.07 -0.57 0.00 0.00 0.00 0.00 47.33 46.35 2kd3 h GLY 85 CO 0.70 -0.10 0.93 -1.05 0.00 0.00 0.00 176.54 177.02 2kd3 n PRO 86 N -5.22 2.34 -0.60 4.80 -0.02 -1.26 -4.91 135.00 130.14 2kd3 n PRO 86 Ca 0.01 0.85 0.02 0.00 -2.02 0.00 0.00 63.50 62.35 2kd3 n PRO 86 Cb 0.18 -2.66 0.22 0.00 -0.02 0.00 0.00 33.50 31.21 2kd3 n PRO 86 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kd3 n ALA 87 N 4.44 3.61 -2.04 3.55 0.00 -1.26 -5.02 120.51 123.78 2kd3 n ALA 87 Ca 0.18 -2.79 -0.42 0.00 0.00 0.00 0.00 53.44 50.41 2kd3 n ALA 87 Cb 0.31 -0.69 -0.03 0.00 0.00 0.00 0.00 19.45 19.05 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 -3.06 4.22 -0.35 0.00 6.06 -1.26 -4.98 118.95 119.59 2kd3 s ARG 88 Ca 0.42 2.19 -0.04 0.00 -2.50 0.00 0.00 55.73 55.80 2kd3 s ARG 88 Cb 0.37 -3.64 0.06 0.00 0.06 0.00 0.00 34.95 31.80 2kd3 s ARG 88 CO 0.03 -0.69 0.10 -0.51 -2.50 0.00 0.00 175.30 171.73 2kd3 s LEU 89 N 2.74 4.45 -0.21 -0.88 1.43 -1.26 -4.67 118.68 120.27 2kd3 s LEU 89 Ca 0.70 -1.41 -0.02 0.00 -1.03 0.00 0.00 54.13 52.37 2kd3 s LEU 89 Cb -0.36 -1.82 0.01 0.00 0.03 0.00 0.00 46.19 44.05 2kd3 s LEU 89 CO 0.30 -0.37 -0.10 -0.22 0.23 0.00 0.00 176.35 176.19 2kd3 s LEU 90 N 1.30 2.68 0.17 1.79 2.96 -1.26 -4.59 118.68 121.72 2kd3 s LEU 90 Ca -0.00 -0.55 -0.31 0.00 -0.22 0.00 0.00 54.13 53.04 2kd3 s LEU 90 Cb -0.21 -1.64 -0.09 0.00 0.50 0.00 0.00 46.19 44.75 2kd3 s LEU 90 CO -0.00 -0.03 1.49 -2.16 -1.32 0.00 0.00 176.35 174.33 2kd3 s PRO 91 N 1.39 4.26 0.01 0.98 0.04 -1.23 -4.21 135.00 136.23 2kd3 s PRO 91 Ca 0.05 2.26 -0.02 0.00 0.04 0.00 0.00 61.00 63.33 2kd3 s PRO 91 Cb -0.14 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 2kd3 s PRO 91 CO -0.07 -0.52 0.16 -0.80 0.04 0.00 0.00 177.00 175.82 2kd3 s ASN 92 N 0.97 6.19 0.49 6.66 0.01 -1.26 -4.87 114.94 123.13 2kd3 s ASN 92 Ca 0.66 0.28 0.28 0.00 -0.71 0.00 0.00 52.86 53.37 2kd3 s ASN 92 Cb -0.41 -1.89 0.91 0.00 0.41 0.00 0.00 41.25 40.27 2kd3 s ASN 92 CO 0.33 0.25 1.82 0.00 -1.51 0.00 0.00 177.10 177.98 2kd3 h ALA 93 N 3.73 0.99 -3.92 0.60 0.00 -1.95 -3.44 119.26 115.26 2kd3 h ALA 93 Ca -0.48 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.25 2kd3 h ALA 93 Cb 1.18 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 2kd3 h ALA 93 CO 0.69 0.06 -0.18 -0.89 0.00 0.00 0.00 179.25 178.92 2kd3 n ILE 94 N -3.14 0.00 0.00 0.00 5.41 -1.26 0.17 119.36 120.55 2kd3 n ILE 94 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.77 2kd3 n ILE 94 Cb 0.41 -0.10 0.00 0.00 -0.71 0.00 0.00 39.64 39.24 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 -0.47 2.75 3.38 7.39 0.00 -1.26 -4.98 105.19 112.01 2kd3 n GLY 95 Ca 0.02 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 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 2.10 -0.06 1.61 0.52 0.45 -5.13 118.95 118.45 2kd3 s ARG 96 Ca 0.00 -0.94 0.05 0.00 -0.52 0.00 0.00 55.73 54.32 2kd3 s ARG 96 Cb 0.00 -2.12 -0.00 0.00 0.52 0.00 0.00 34.95 33.34 2kd3 s ARG 96 CO 0.00 0.56 -0.20 0.08 0.02 0.00 0.00 175.30 175.75 2kd3 s VAL 97 N -0.75 1.69 0.00 3.52 1.01 -1.25 -4.61 120.40 120.01 2kd3 s VAL 97 Ca 0.12 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.25 2kd3 s VAL 97 Cb -0.10 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.82 2kd3 s VAL 97 CO 0.01 0.48 0.00 2.29 0.00 0.00 0.00 175.10 177.88 2kd3 n LYS 98 N 3.21 0.00 -0.81 2.72 2.85 -1.26 -4.94 118.16 119.93 2kd3 n LYS 98 Ca -0.18 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.08 2kd3 n LYS 98 Cb 0.53 0.00 0.30 0.00 -0.65 0.00 0.00 35.03 35.21 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 1.91 -0.63 5.58 4.27 -1.26 -5.02 117.44 122.29 2kd3 n TRP 99 Ca 0.00 -0.81 -0.23 0.00 -3.89 0.00 0.00 57.50 52.57 2kd3 n TRP 99 Cb 0.00 -0.53 -0.02 0.00 -1.36 0.00 0.00 31.31 29.40 2kd3 n TRP 99 CO 0.00 0.00 0.00 1.87 -2.29 0.00 0.00 177.69 177.27 2kd3 n TRP 100 N 0.24 -0.06 -3.78 -2.67 -0.00 -1.26 -4.92 117.44 104.99 2kd3 n TRP 100 Ca 0.29 0.44 -0.28 0.00 -0.00 0.00 0.00 57.50 57.95 2kd3 n TRP 100 Cb 1.13 -0.88 -0.12 0.00 -0.00 0.00 0.00 31.31 31.45 2kd3 n TRP 100 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 2kd3 s ARG 101 N -0.30 2.07 0.00 5.87 0.52 -1.26 -4.92 118.95 120.92 2kd3 s ARG 101 Ca 0.32 -3.02 0.06 0.00 -0.52 0.00 0.00 55.73 52.58 2kd3 s ARG 101 Cb -0.45 -2.94 0.34 0.00 0.52 0.00 0.00 34.95 32.42 2kd3 s ARG 101 CO 0.25 -1.30 1.00 -0.35 0.02 0.00 0.00 175.30 174.91 2kd3 n PRO 102 N 2.24 0.12 -0.09 3.54 -0.04 -1.26 -2.74 135.00 136.76 2kd3 n PRO 102 Ca 0.21 0.16 0.17 0.00 -0.04 0.00 0.00 63.50 64.00 2kd3 n PRO 102 Cb 0.38 -1.50 0.57 0.00 -0.04 0.00 0.00 33.50 32.91 2kd3 n PRO 102 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2kd3 h ASN 103 N 0.00 0.25 -5.00 3.54 4.21 -1.91 -3.39 115.58 113.27 2kd3 h ASN 103 Ca 0.00 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.52 2kd3 h ASN 103 Cb 0.04 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.21 2kd3 h ASN 103 CO 0.00 0.13 0.00 0.61 -1.29 0.00 0.00 177.43 176.88 2kd3 n GLY 104 N -1.57 2.64 3.70 2.83 0.00 -1.11 -4.70 105.19 106.99 2kd3 n GLY 104 Ca 0.12 -1.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.07 2kd3 n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kd3 s PRO 105 N -3.82 0.83 0.02 1.61 0.04 -1.26 -4.87 135.00 127.55 2kd3 s PRO 105 Ca 0.00 0.66 -0.30 0.00 0.04 0.00 0.00 61.00 61.39 2kd3 s PRO 105 Cb 0.00 -1.77 -0.05 0.00 0.04 0.00 0.00 34.50 32.72 2kd3 s PRO 105 CO 0.00 -2.49 1.21 0.34 0.04 0.00 0.00 177.00 176.09 2kd3 s ASP 106 N -3.45 7.06 0.20 6.66 2.15 -1.26 -5.02 116.67 123.01 2kd3 s ASP 106 Ca 0.64 1.96 0.08 0.00 0.43 0.00 0.00 52.55 55.66 2kd3 s ASP 106 Cb -0.18 -2.57 -0.04 0.00 -0.30 0.00 0.00 42.92 39.83 2kd3 s ASP 106 CO 0.57 -0.51 -0.03 -0.36 -0.17 0.00 0.00 175.17 174.67 2kd3 s PHE 107 N 1.47 2.75 0.05 -5.34 0.08 -1.26 -4.72 117.98 111.01 2kd3 s PHE 107 Ca 0.58 -0.18 -0.27 0.00 0.12 0.00 0.00 56.93 57.17 2kd3 s PHE 107 Cb -0.28 -1.31 0.10 0.00 -0.57 0.00 0.00 43.02 40.96 2kd3 s PHE 107 CO 0.27 0.54 1.19 0.50 -0.10 0.00 0.00 175.22 177.62 2kd3 s ARG 108 N -3.08 0.70 0.11 0.44 3.52 -1.25 -4.86 118.95 114.53 2kd3 s ARG 108 Ca 0.28 -0.42 -0.24 0.00 -0.13 0.00 0.00 55.73 55.22 2kd3 s ARG 108 Cb -0.08 0.22 -0.07 0.00 -1.56 0.00 0.00 34.95 33.45 2kd3 s ARG 108 CO 0.18 -0.32 0.73 0.00 -0.81 0.00 0.00 175.30 175.08 2kd3 s ILE 110 N -0.84 0.10 0.43 0.00 -5.25 -0.62 -4.20 121.20 110.82 2kd3 s ILE 110 Ca 0.35 -0.83 -0.25 0.00 -0.99 0.00 0.00 60.65 58.93 2kd3 s ILE 110 Cb -0.22 -0.90 -0.09 0.00 2.95 0.00 0.00 42.46 44.20 2kd3 s ILE 110 CO 0.24 -0.46 1.24 -0.81 -1.79 0.00 0.00 174.94 173.36 2kd3 n PRO 111 N 0.68 1.82 0.06 0.37 -0.04 -1.26 -2.73 135.00 133.91 2kd3 n PRO 111 Ca -0.19 0.65 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 2kd3 n PRO 111 Cb 0.59 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 2kd3 n PRO 111 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2kd3 n ASP 112 N 0.14 0.51 -4.36 3.54 -0.08 -1.26 -4.81 116.55 110.23 2kd3 n ASP 112 Ca 0.07 0.19 -0.28 0.00 -1.51 0.00 0.00 54.79 53.27 2kd3 n ASP 112 Cb 0.40 -0.06 -0.13 0.00 2.34 0.00 0.00 41.12 43.67 2kd3 n ASP 112 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 2kd3 s ARG 113 N -2.00 1.33 0.23 -0.67 3.52 -1.15 -5.07 118.95 115.14 2kd3 s ARG 113 Ca 0.00 -1.31 0.08 0.00 -0.13 0.00 0.00 55.73 54.38 2kd3 s ARG 113 Cb 0.00 -1.76 -0.05 0.00 -1.56 0.00 0.00 34.95 31.58 2kd3 s ARG 113 CO 0.00 0.41 -0.14 0.71 -0.81 0.00 0.00 175.30 175.48 2kd3 s TYR 114 N -1.11 1.83 -0.07 5.12 1.51 -1.26 -3.12 117.35 120.24 2kd3 s TYR 114 Ca 0.12 -0.56 -0.09 0.00 -1.01 0.00 0.00 57.07 55.53 2kd3 s TYR 114 Cb -0.10 -0.87 -0.05 0.00 -0.11 0.00 0.00 41.96 40.83 2kd3 s TYR 114 CO 0.06 0.40 0.23 0.50 -1.11 0.00 0.00 175.55 175.62 2kd3 s ARG 115 N -3.64 3.59 0.01 -0.62 3.52 0.63 -4.74 118.95 117.70 2kd3 s ARG 115 Ca 0.25 0.03 -0.29 0.00 -0.13 0.00 0.00 55.73 55.58 2kd3 s ARG 115 Cb -0.01 -3.19 -0.03 0.00 -1.56 0.00 0.00 34.95 30.16 2kd3 s ARG 115 CO 0.09 0.74 0.96 0.00 -0.81 0.00 0.00 175.30 176.28 2kd3 s ALA 116 N -1.07 3.19 -0.02 6.12 0.00 -1.26 -1.83 121.76 126.89 2kd3 s ALA 116 Ca 0.19 0.51 0.02 0.00 0.00 0.00 0.00 51.96 52.68 2kd3 s ALA 116 Cb -0.13 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.69 2kd3 s ALA 116 CO 0.08 -0.19 -0.07 -0.65 0.00 0.00 0.00 175.76 174.93 2kd3 s GLN 117 N 0.85 0.74 -0.36 0.00 -1.52 -0.97 -5.01 119.66 113.39 2kd3 s GLN 117 Ca 0.50 -0.24 -0.00 0.00 -1.95 0.00 0.00 55.36 53.67 2kd3 s GLN 117 Cb -0.21 -0.72 0.12 0.00 -0.22 0.00 0.00 33.01 31.98 2kd3 s GLN 117 CO 0.28 0.09 0.17 0.50 -0.25 0.00 0.00 175.29 176.08 2kd3 s ARG 118 N 0.16 0.78 0.18 2.91 3.52 -1.26 -1.20 118.95 124.04 2kd3 s ARG 118 Ca -0.02 -1.35 0.04 0.00 -0.13 0.00 0.00 55.73 54.27 2kd3 s ARG 118 Cb -0.07 -1.84 -0.05 0.00 -1.56 0.00 0.00 34.95 31.43 2kd3 s ARG 118 CO 0.00 -1.09 -0.06 0.14 -0.81 0.00 0.00 175.30 173.48 2kd3 s VAL 119 N 1.17 1.10 -0.06 7.11 -7.23 -1.04 -4.96 120.40 116.49 2kd3 s VAL 119 Ca 0.14 -2.05 -0.05 0.00 -1.81 0.00 0.00 61.98 58.21 2kd3 s VAL 119 Cb -0.21 -2.04 -0.04 0.00 0.56 0.00 0.00 36.38 34.66 2kd3 s VAL 119 CO -0.13 -0.58 0.17 0.00 -0.31 0.00 0.00 175.10 174.25 2kd3 s GLN 120 N -3.80 3.45 0.04 4.82 -2.07 -1.25 -1.01 119.66 119.84 2kd3 s GLN 120 Ca 0.21 -0.23 -0.30 0.00 -1.82 0.00 0.00 55.36 53.23 2kd3 s GLN 120 Cb 0.04 -3.14 -0.04 0.00 -1.09 0.00 0.00 33.01 28.78 2kd3 s GLN 120 CO 0.04 0.72 0.99 -0.51 -1.32 0.00 0.00 175.29 175.21 2kd3 s LEU 121 N -1.55 4.41 -0.06 2.60 1.43 0.72 -4.41 118.68 121.83 2kd3 s LEU 121 Ca 0.22 1.73 -0.10 0.00 -1.03 0.00 0.00 54.13 54.96 2kd3 s LEU 121 Cb -0.12 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.47 2kd3 s LEU 121 CO 0.12 -0.22 0.26 -0.76 0.23 0.00 0.00 176.35 175.98 2kd3 s LEU 122 N 0.68 4.42 0.16 1.79 1.02 0.99 -2.40 118.68 125.34 2kd3 s LEU 122 Ca 0.51 0.66 0.11 0.00 0.02 0.00 0.00 54.13 55.42 2kd3 s LEU 122 Cb -0.22 -2.35 -0.04 0.00 0.02 0.00 0.00 46.19 43.59 2kd3 s LEU 122 CO 0.29 0.35 -0.22 0.00 0.02 0.00 0.00 176.35 176.79 2kd3 n PRO 124 N 0.51 0.75 -0.22 0.00 -0.02 -1.26 0.22 135.00 134.97 2kd3 n PRO 124 Ca -0.14 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 2kd3 n PRO 124 Cb 0.54 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 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 6.82 0.71 3.88 -1.23 0.00 -1.26 -4.56 105.19 109.56 2kd3 n GLY 125 Ca 0.46 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.08 -0.82 0.12 -0.02 0.00 0.59 -4.88 105.19 98.10 2kd3 n GLY 126 Ca 0.00 0.35 -0.22 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.69 0.99 -2.93 4.61 0.00 -1.26 -4.74 120.51 113.50 2kd3 n ALA 127 Ca -0.15 -0.88 -0.26 0.00 0.00 0.00 0.00 53.44 52.15 2kd3 n ALA 127 Cb 0.50 -0.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.89 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 -4.10 4.44 -1.63 0.00 0.00 -1.26 -5.09 120.51 112.86 2kd3 n ALA 128 Ca -0.38 -4.53 -0.38 0.00 0.00 0.00 0.00 53.44 48.15 2kd3 n ALA 128 Cb 0.72 -0.74 0.05 0.00 0.00 0.00 0.00 19.45 19.48 2kd3 n ALA 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2kd3 n PRO 129 N -0.21 0.98 -4.23 0.00 -0.04 -1.26 -4.91 135.00 125.33 2kd3 n PRO 129 Ca 0.31 0.38 -0.17 0.00 -0.04 0.00 0.00 63.50 63.98 2kd3 n PRO 129 Cb 0.44 -2.22 -0.11 0.00 -0.04 0.00 0.00 33.50 31.57 2kd3 n PRO 129 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2kd3 s ARG 130 N -2.79 0.99 -0.12 0.54 0.52 -1.01 -4.93 118.95 112.14 2kd3 s ARG 130 Ca 0.76 -1.25 -0.02 0.00 -0.52 0.00 0.00 55.73 54.69 2kd3 s ARG 130 Cb -0.42 -0.78 -0.03 0.00 0.52 0.00 0.00 34.95 34.24 2kd3 s ARG 130 CO 0.47 0.14 -0.04 -1.12 0.02 0.00 0.00 175.30 174.77 2kd3 s SER 131 N -2.56 4.83 -0.01 0.23 0.01 -1.26 0.26 113.70 115.21 2kd3 s SER 131 Ca 0.09 -0.06 -0.01 0.00 1.31 0.00 0.00 55.95 57.28 2kd3 s SER 131 Cb -0.03 -1.59 -0.00 0.00 0.21 0.00 0.00 66.02 64.61 2kd3 s SER 131 CO 0.02 0.25 0.03 -0.60 0.41 0.00 0.00 173.24 173.35 2kd3 s ARG 132 N -0.12 0.12 -0.00 12.44 3.52 -0.18 -4.94 118.95 129.79 2kd3 s ARG 132 Ca 0.02 -0.10 -0.02 0.00 -0.13 0.00 0.00 55.73 55.50 2kd3 s ARG 132 Cb -0.13 0.05 -0.04 0.00 -1.56 0.00 0.00 34.95 33.27 2kd3 s ARG 132 CO 0.02 -0.02 0.18 -1.59 -0.81 0.00 0.00 175.30 173.09 2kd3 s LYS 133 N -0.34 3.43 -0.18 5.12 -2.85 -1.26 -2.51 119.74 121.15 2kd3 s LYS 133 Ca -0.04 -0.34 -0.12 0.00 -1.00 0.00 0.00 55.97 54.47 2kd3 s LYS 133 Cb -0.03 -3.08 0.06 0.00 -2.06 0.00 0.00 37.83 32.72 2kd3 s LYS 133 CO -0.00 0.67 0.46 0.14 0.10 0.00 0.00 175.35 176.72 2kd3 s VAL 134 N -1.34 -0.01 -0.38 1.79 -7.23 -0.34 -5.01 120.40 107.87 2kd3 s VAL 134 Ca 0.28 0.05 -0.20 0.00 -1.81 0.00 0.00 61.98 60.30 2kd3 s VAL 134 Cb -0.13 -0.67 0.01 0.00 0.56 0.00 0.00 36.38 36.15 2kd3 s VAL 134 CO 0.20 0.02 0.63 -0.13 -0.31 0.00 0.00 175.10 175.51 2kd3 s ARG 135 N 1.05 3.54 -0.14 4.82 0.52 -1.26 -2.30 118.95 125.18 2kd3 s ARG 135 Ca -0.06 -0.11 -0.01 0.00 -0.52 0.00 0.00 55.73 55.02 2kd3 s ARG 135 Cb -0.06 -3.86 -0.02 0.00 0.52 0.00 0.00 34.95 31.53 2kd3 s ARG 135 CO -0.09 -0.83 -0.10 -0.51 0.02 0.00 0.00 175.30 173.79 2kd3 s LEU 136 N 2.73 2.90 -0.71 2.53 1.43 -0.76 -4.83 118.68 121.97 2kd3 s LEU 136 Ca 0.23 -0.26 -0.26 0.00 -1.03 0.00 0.00 54.13 52.82 2kd3 s LEU 136 Cb -0.14 -1.67 -0.07 0.00 0.03 0.00 0.00 46.19 44.33 2kd3 s LEU 136 CO 0.16 0.17 2.18 0.68 0.23 0.00 0.00 176.35 179.77 2kd3 s VAL 137 N 0.35 3.19 -1.30 -1.59 -7.23 -1.26 0.23 120.40 112.79 2kd3 s VAL 137 Ca -0.09 -0.05 0.30 0.00 -1.81 0.00 0.00 61.98 60.33 2kd3 s VAL 137 Cb -0.15 -3.46 0.43 0.00 0.56 0.00 0.00 36.38 33.76 2kd3 s VAL 137 CO 0.05 -0.44 2.00 0.00 -0.31 0.00 0.00 175.10 176.40 2kd3 n ALA 138 N 15.59 2.46 -3.64 1.32 0.00 -1.18 0.04 120.51 135.10 2kd3 n ALA 138 Ca 0.37 -0.14 -0.05 0.00 0.00 0.00 0.00 53.44 53.62 2kd3 n ALA 138 Cb 0.49 -1.48 -0.07 0.00 0.00 0.00 0.00 19.45 18.40 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 -2.71 -0.80 0.25 0.00 0.15 -1.24 -4.85 113.70 104.50 2kd3 s SER 139 Ca 0.24 1.27 0.04 0.00 0.70 0.00 0.00 55.95 58.20 2kd3 s SER 139 Cb 0.20 1.34 -0.05 0.00 -1.71 0.00 0.00 66.02 65.80 2kd3 s SER 139 CO 0.49 -0.20 -0.01 0.00 1.20 0.00 0.00 173.24 174.71 2kd3 s LYS 141 N -3.83 1.36 -0.47 0.00 1.02 -1.10 -4.91 119.74 111.82 2kd3 s LYS 141 Ca 0.29 -1.44 -0.27 0.00 0.02 0.00 0.00 55.97 54.58 2kd3 s LYS 141 Cb 0.05 -1.54 -0.03 0.00 -0.52 0.00 0.00 37.83 35.79 2kd3 s LYS 141 CO 0.10 0.33 2.00 0.00 -0.92 0.00 0.00 175.35 176.86 2kd3 s LYS 143 N 6.85 0.28 0.00 0.00 2.47 0.46 -4.74 119.74 125.05 2kd3 s LYS 143 Ca 0.81 0.43 0.00 0.00 -1.56 0.00 0.00 55.97 55.64 2kd3 s LYS 143 Cb -0.18 0.06 0.00 0.00 -1.46 0.00 0.00 37.83 36.25 2kd3 s LYS 143 CO 0.27 -0.08 0.00 -2.13 0.16 0.00 0.00 175.35 173.57