#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 2.02 -0.16 4.39 8.00 -1.26 -4.15 116.55 125.39 2kd3 n ASP 49 Ca 0.00 -2.18 -0.06 0.00 0.71 0.00 0.00 54.79 53.27 2kd3 n ASP 49 Cb 0.00 -0.40 0.12 0.00 -0.02 0.00 0.00 41.12 40.82 2kd3 n ASP 49 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2kd3 h VAL 50 N 1.33 1.25 0.00 2.53 2.07 -2.00 -2.87 116.25 118.56 2kd3 h VAL 50 Ca 0.00 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.52 2kd3 h VAL 50 Cb 0.71 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2kd3 h VAL 50 CO 0.09 0.36 -0.80 0.28 0.02 0.00 0.00 177.57 177.53 2kd3 h SER 51 N 0.86 0.00 -0.35 0.57 0.02 -2.00 -3.32 113.55 109.35 2kd3 h SER 51 Ca 0.17 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kd3 h SER 51 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2kd3 h SER 51 CO 0.01 0.09 0.00 -0.62 -1.14 0.00 0.00 176.83 175.17 2kd3 n GLU 52 N -2.27 2.54 0.00 3.45 4.71 -1.09 -4.66 120.64 123.31 2kd3 n GLU 52 Ca 0.02 -1.55 0.00 0.00 -0.01 0.00 0.00 57.16 55.62 2kd3 n GLU 52 Cb 0.47 -1.63 0.00 0.00 -1.01 0.00 0.00 31.44 29.27 2kd3 n GLU 52 CO 0.00 0.00 0.00 2.48 0.09 0.00 0.00 177.13 179.70 2kd3 n TYR 53 N 0.48 0.00 -3.20 -0.32 0.18 -1.16 -4.95 117.16 108.19 2kd3 n TYR 53 Ca 0.14 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.92 2kd3 n TYR 53 Cb 0.56 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.52 2kd3 n TYR 53 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2kd3 n SER 54 N -0.53 0.00 0.00 9.48 2.88 -1.26 -4.93 113.62 119.26 2kd3 n SER 54 Ca 0.00 -0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.23 2kd3 n SER 54 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2kd3 n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kd3 n ARG 56 N -2.88 1.76 -2.94 0.00 0.00 -1.26 -4.85 116.66 106.49 2kd3 n ARG 56 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.43 2kd3 n ARG 56 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 32.46 32.41 2kd3 n ARG 56 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2kd3 s GLU 57 N 0.00 4.07 -0.15 2.89 2.12 -1.26 -5.02 118.70 121.35 2kd3 s GLU 57 Ca 0.00 0.73 -0.09 0.00 0.36 0.00 0.00 54.97 55.97 2kd3 s GLU 57 Cb 0.00 -3.69 0.05 0.00 0.26 0.00 0.00 34.13 30.76 2kd3 s GLU 57 CO 0.00 -0.59 0.37 -0.48 -0.54 0.00 0.00 175.26 174.02 2kd3 s LEU 58 N 2.87 0.14 -0.04 2.70 0.05 -1.26 -5.07 118.68 118.07 2kd3 s LEU 58 Ca 0.33 0.78 -0.01 0.00 0.05 0.00 0.00 54.13 55.28 2kd3 s LEU 58 Cb -0.15 1.20 0.03 0.00 -2.05 0.00 0.00 46.19 45.22 2kd3 s LEU 58 CO 0.10 -0.18 0.05 -1.00 -0.55 0.00 0.00 176.35 174.77 2kd3 s HIS 59 N 1.15 0.11 0.15 3.48 3.76 -1.25 -4.11 115.29 118.59 2kd3 s HIS 59 Ca -0.08 0.19 0.07 0.00 -0.15 0.00 0.00 55.06 55.09 2kd3 s HIS 59 Cb -0.08 -0.46 -0.04 0.00 1.11 0.00 0.00 32.58 33.12 2kd3 s HIS 59 CO -0.09 -0.18 -0.15 0.71 -0.85 0.00 0.00 174.74 174.18 2kd3 s TYR 60 N 1.91 1.53 -0.70 1.40 1.51 0.38 -4.89 117.35 118.49 2kd3 s TYR 60 Ca 0.02 -0.56 -0.04 0.00 -1.01 0.00 0.00 57.07 55.48 2kd3 s TYR 60 Cb -0.12 -0.77 0.18 0.00 -0.11 0.00 0.00 41.96 41.13 2kd3 s TYR 60 CO -0.03 0.21 0.53 0.95 -1.11 0.00 0.00 175.55 176.11 2kd3 s THR 61 N -2.37 4.00 -0.17 -0.71 -4.23 -1.26 -0.92 115.64 109.99 2kd3 s THR 61 Ca 0.13 -3.10 0.00 0.00 -1.18 0.00 0.00 61.69 57.54 2kd3 s THR 61 Cb -0.04 -3.57 0.00 0.00 1.34 0.00 0.00 72.50 70.24 2kd3 s THR 61 CO 0.04 -0.93 -0.16 -0.13 -0.54 0.00 0.00 174.62 172.90 2kd3 s ARG 62 N -0.31 3.15 0.00 3.99 0.52 -1.26 -4.95 118.95 120.08 2kd3 s ARG 62 Ca 0.19 -0.77 0.00 0.00 -0.52 0.00 0.00 55.73 54.63 2kd3 s ARG 62 Cb -0.17 -2.63 0.00 0.00 0.52 0.00 0.00 34.95 32.67 2kd3 s ARG 62 CO -0.05 -0.07 0.00 1.19 0.02 0.00 0.00 175.30 176.38 2kd3 n PHE 63 N 4.29 0.00 -3.64 -0.53 3.72 -1.26 -4.85 117.46 115.19 2kd3 n PHE 63 Ca -0.20 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.17 2kd3 n PHE 63 Cb 0.51 0.00 -0.06 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 -2.99 -0.09 -0.02 4.37 2.34 -1.26 -4.83 118.68 116.20 2kd3 s LEU 64 Ca 0.00 0.16 0.00 0.00 0.06 0.00 0.00 54.13 54.36 2kd3 s LEU 64 Cb 0.00 1.19 0.02 0.00 -0.56 0.00 0.00 46.19 46.84 2kd3 s LEU 64 CO 0.00 -0.04 0.01 0.42 -1.06 0.00 0.00 176.35 175.68 2kd3 s THR 65 N -0.18 0.07 0.00 5.48 -4.23 -1.26 -1.38 115.64 114.13 2kd3 s THR 65 Ca 0.07 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.67 2kd3 s THR 65 Cb -0.04 -0.15 0.00 0.00 1.34 0.00 0.00 72.50 73.64 2kd3 s THR 65 CO -0.13 0.09 0.00 -0.67 -0.54 0.00 0.00 174.62 173.37 2kd3 n ASP 66 N 3.85 0.00 -1.41 3.99 2.03 -1.13 -5.06 116.55 118.82 2kd3 n ASP 66 Ca -0.23 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 54.92 2kd3 n ASP 66 Cb 0.53 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.91 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 -0.45 0.00 0.27 0.00 -1.26 -2.76 105.19 100.98 2kd3 n GLY 67 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.35 0.00 -3.57 1.61 -0.02 -1.26 -4.60 135.00 127.52 2kd3 n PRO 68 Ca 0.06 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.46 2kd3 n PRO 68 Cb 0.07 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.53 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 -3.32 0.32 0.44 0.00 3.52 0.00 -2.86 118.95 117.06 2kd3 s ARG 70 Ca 0.06 0.30 -0.06 0.00 -0.13 0.00 0.00 55.73 55.90 2kd3 s ARG 70 Cb -0.01 0.15 -0.04 0.00 -1.56 0.00 0.00 34.95 33.49 2kd3 s ARG 70 CO -0.06 -0.04 0.75 0.45 -0.81 0.00 0.00 175.30 175.58 2kd3 s SER 71 N 0.01 6.34 0.00 -2.12 0.15 -0.48 0.26 113.70 117.86 2kd3 s SER 71 Ca -0.01 0.92 0.13 0.00 0.70 0.00 0.00 55.95 57.68 2kd3 s SER 71 Cb -0.02 -2.24 0.21 0.00 -1.71 0.00 0.00 66.02 62.26 2kd3 s SER 71 CO 0.01 -0.49 1.04 0.00 1.20 0.00 0.00 173.24 175.00 2kd3 n ALA 72 N -1.90 2.63 -2.03 5.45 0.00 -1.26 -4.48 120.51 118.92 2kd3 n ALA 72 Ca 0.00 -1.48 -0.41 0.00 0.00 0.00 0.00 53.44 51.56 2kd3 n ALA 72 Cb 0.55 -0.53 -0.04 0.00 0.00 0.00 0.00 19.45 19.43 2kd3 n ALA 72 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2kd3 s LYS 73 N 0.00 4.65 0.09 0.00 2.20 -1.26 -4.95 119.74 120.46 2kd3 s LYS 73 Ca 0.16 1.66 -0.36 0.00 -0.36 0.00 0.00 55.97 57.08 2kd3 s LYS 73 Cb 0.19 -3.28 -0.15 0.00 -1.51 0.00 0.00 37.83 33.07 2kd3 s LYS 73 CO -0.08 0.16 1.48 -0.35 -0.36 0.00 0.00 175.35 176.20 2kd3 n PRO 74 N 2.21 1.59 -3.91 4.03 -0.04 -1.26 -4.78 135.00 132.84 2kd3 n PRO 74 Ca 0.02 0.58 -0.11 0.00 -0.04 0.00 0.00 63.50 63.95 2kd3 n PRO 74 Cb 0.47 -2.28 -0.11 0.00 -0.04 0.00 0.00 33.50 31.53 2kd3 n PRO 74 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2kd3 s VAL 75 N 0.98 0.08 -0.15 0.52 -7.23 -1.26 -5.11 120.40 108.23 2kd3 s VAL 75 Ca 0.83 -0.63 0.01 0.00 -1.81 0.00 0.00 61.98 60.38 2kd3 s VAL 75 Cb -0.84 -0.30 -0.00 0.00 0.56 0.00 0.00 36.38 35.80 2kd3 s VAL 75 CO 0.44 -0.34 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.83 2kd3 s THR 76 N -1.10 2.59 0.04 5.32 2.01 -1.26 -4.18 115.64 119.05 2kd3 s THR 76 Ca -0.12 -0.80 -0.05 0.00 0.31 0.00 0.00 61.69 61.03 2kd3 s THR 76 Cb -0.07 -2.08 -0.02 0.00 0.01 0.00 0.00 72.50 70.35 2kd3 s THR 76 CO 0.00 0.52 0.07 -1.83 -0.69 0.00 0.00 174.62 172.70 2kd3 s GLU 77 N 0.74 0.58 -0.03 4.92 -1.05 -0.10 -4.84 118.70 118.92 2kd3 s GLU 77 Ca -0.07 -0.82 -0.01 0.00 -0.15 0.00 0.00 54.97 53.92 2kd3 s GLU 77 Cb -0.16 0.22 -0.04 0.00 -0.44 0.00 0.00 34.13 33.72 2kd3 s GLU 77 CO 0.01 -0.14 0.05 -0.51 0.95 0.00 0.00 175.26 175.62 2kd3 s LEU 78 N -2.23 3.78 -1.07 1.83 1.02 -1.19 0.14 118.68 120.97 2kd3 s LEU 78 Ca -0.04 0.14 -0.10 0.00 0.02 0.00 0.00 54.13 54.15 2kd3 s LEU 78 Cb -0.00 -2.10 0.27 0.00 0.02 0.00 0.00 46.19 44.38 2kd3 s LEU 78 CO -0.05 0.31 1.06 0.68 0.02 0.00 0.00 176.35 178.37 2kd3 s VAL 79 N -1.09 5.92 -0.22 -1.59 -7.23 -1.26 -4.65 120.40 110.28 2kd3 s VAL 79 Ca 0.19 -3.24 -0.02 0.00 -1.81 0.00 0.00 61.98 57.11 2kd3 s VAL 79 Cb -0.12 -4.59 0.06 0.00 0.56 0.00 0.00 36.38 32.30 2kd3 s VAL 79 CO 0.10 -1.17 0.01 0.00 -0.31 0.00 0.00 175.10 173.73 2kd3 s SER 81 N 1.69 2.39 0.10 0.00 0.01 -1.26 -4.41 113.70 112.22 2kd3 s SER 81 Ca -0.02 -0.77 -0.05 0.00 1.31 0.00 0.00 55.95 56.42 2kd3 s SER 81 Cb -0.18 0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.08 2kd3 s SER 81 CO -0.09 -0.38 0.25 0.61 0.41 0.00 0.00 173.24 174.04 2kd3 n GLY 82 N 5.28 1.54 3.12 3.44 0.00 0.31 -4.90 105.19 113.98 2kd3 n GLY 82 Ca -0.05 -1.06 -0.19 0.00 0.00 0.00 0.00 46.02 44.72 2kd3 n GLY 82 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kd3 s GLN 83 N -2.02 0.84 0.03 1.61 -0.21 -1.18 -3.80 119.66 114.92 2kd3 s GLN 83 Ca 0.05 -0.73 0.02 0.00 0.02 0.00 0.00 55.36 54.72 2kd3 s GLN 83 Cb -0.01 -0.81 -0.04 0.00 1.00 0.00 0.00 33.01 33.15 2kd3 s GLN 83 CO 0.03 0.20 0.04 0.00 -2.12 0.00 0.00 175.29 173.44 2kd3 s GLY 85 N -1.92 0.34 0.69 0.00 0.00 -1.16 -4.46 107.32 100.82 2kd3 s GLY 85 Ca 0.24 -0.69 -0.16 0.00 0.00 0.00 0.00 44.72 44.11 2kd3 s GLY 85 CO 0.15 -0.37 0.74 -1.05 0.00 0.00 0.00 173.10 172.57 2kd3 n PRO 86 N -0.47 0.46 0.00 2.90 -0.02 -1.26 -2.85 135.00 133.76 2kd3 n PRO 86 Ca -0.04 0.20 0.13 0.00 -2.02 0.00 0.00 63.50 61.77 2kd3 n PRO 86 Cb 0.60 -2.00 0.74 0.00 -0.02 0.00 0.00 33.50 32.83 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 -2.29 2.42 -2.09 3.55 0.00 -1.26 -4.39 120.51 116.45 2kd3 n ALA 87 Ca 0.12 -0.15 -0.41 0.00 0.00 0.00 0.00 53.44 52.99 2kd3 n ALA 87 Cb 0.49 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 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 -2.12 4.44 -0.18 0.00 6.06 -1.26 -5.02 118.95 120.87 2kd3 s ARG 88 Ca 0.36 1.94 -0.02 0.00 -2.50 0.00 0.00 55.73 55.50 2kd3 s ARG 88 Cb 0.18 -3.24 -0.01 0.00 0.06 0.00 0.00 34.95 31.94 2kd3 s ARG 88 CO 0.32 -0.19 -0.08 -0.51 -2.50 0.00 0.00 175.30 172.33 2kd3 s LEU 89 N 0.06 2.81 -0.62 -0.88 2.01 -1.26 -4.87 118.68 115.93 2kd3 s LEU 89 Ca 0.56 -0.37 0.04 0.00 0.01 0.00 0.00 54.13 54.37 2kd3 s LEU 89 Cb -0.34 -1.68 0.15 0.00 0.01 0.00 0.00 46.19 44.33 2kd3 s LEU 89 CO 0.36 0.06 0.39 -0.22 1.01 0.00 0.00 176.35 177.95 2kd3 s LEU 90 N 0.99 4.63 0.01 1.79 1.98 -1.26 -5.06 118.68 121.76 2kd3 s LEU 90 Ca -0.01 -3.43 -0.17 0.00 -2.89 0.00 0.00 54.13 47.63 2kd3 s LEU 90 Cb -0.15 -1.66 -0.06 0.00 0.66 0.00 0.00 46.19 44.99 2kd3 s LEU 90 CO -0.00 -0.16 0.49 -2.16 -1.89 0.00 0.00 176.35 172.62 2kd3 s PRO 91 N -0.87 4.10 -0.00 0.98 0.04 -1.26 -4.72 135.00 133.26 2kd3 s PRO 91 Ca 0.21 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.81 2kd3 s PRO 91 Cb -0.15 -3.26 0.01 0.00 0.04 0.00 0.00 34.50 31.13 2kd3 s PRO 91 CO -0.08 0.59 0.68 0.09 0.04 0.00 0.00 177.00 178.32 2kd3 n ASN 92 N 2.05 0.12 0.00 6.66 3.02 -1.26 -4.75 115.26 121.10 2kd3 n ASN 92 Ca -0.11 -1.37 0.00 0.00 -0.03 0.00 0.00 54.58 53.07 2kd3 n ASN 92 Cb 0.52 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 2kd3 n ASN 92 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kd3 n ALA 93 N -0.04 1.76 1.07 5.41 0.00 -1.26 -4.89 120.51 122.55 2kd3 n ALA 93 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2kd3 n ALA 93 Cb 0.55 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.11 2kd3 n ALA 93 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2kd3 n ILE 94 N -0.84 0.00 -0.22 0.00 -0.00 -1.26 -4.93 119.36 112.10 2kd3 n ILE 94 Ca 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 62.75 62.53 2kd3 n ILE 94 Cb 0.00 1.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.64 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 1.40 0.66 3.40 7.39 0.00 -1.26 -5.05 105.19 111.72 2kd3 n GLY 95 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 2kd3 n GLY 95 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kd3 s ARG 96 N -0.74 2.43 -0.36 1.61 1.70 -1.26 -4.71 118.95 117.62 2kd3 s ARG 96 Ca 0.00 -0.79 -0.09 0.00 -0.47 0.00 0.00 55.73 54.38 2kd3 s ARG 96 Cb 0.00 -2.27 0.03 0.00 -0.57 0.00 0.00 34.95 32.15 2kd3 s ARG 96 CO 0.00 0.56 0.16 0.08 -1.08 0.00 0.00 175.30 175.02 2kd3 s VAL 97 N -0.58 4.26 0.00 4.99 1.01 -1.26 -4.81 120.40 124.01 2kd3 s VAL 97 Ca 0.08 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.12 2kd3 s VAL 97 Cb -0.11 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.89 2kd3 s VAL 97 CO 0.01 -0.19 0.49 2.29 0.00 0.00 0.00 175.10 177.69 2kd3 n LYS 98 N 4.92 0.00 0.00 2.72 2.85 -1.26 -5.00 118.16 122.40 2kd3 n LYS 98 Ca -0.12 -0.06 0.00 0.00 -1.05 0.00 0.00 58.31 57.08 2kd3 n LYS 98 Cb 0.46 0.03 0.00 0.00 -0.65 0.00 0.00 35.03 34.87 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 0.00 -3.31 5.58 4.27 -1.26 -5.10 117.44 117.62 2kd3 n TRP 99 Ca -0.02 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.21 2kd3 n TRP 99 Cb 0.47 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.36 2kd3 n TRP 99 CO 0.00 0.00 0.00 1.67 -2.29 0.00 0.00 177.69 177.07 2kd3 s TRP 100 N 0.00 3.64 -0.31 -2.67 -2.14 -1.26 -5.02 118.94 111.18 2kd3 s TRP 100 Ca 0.00 1.05 -0.03 0.00 2.66 0.00 0.00 56.10 59.78 2kd3 s TRP 100 Cb 0.00 -2.52 0.11 0.00 -3.10 0.00 0.00 33.47 27.96 2kd3 s TRP 100 CO 0.00 0.36 0.15 1.03 -2.66 0.00 0.00 176.95 175.83 2kd3 s ARG 101 N -0.15 0.31 0.35 3.25 1.81 -1.26 -4.93 118.95 118.33 2kd3 s ARG 101 Ca 0.28 -0.75 0.04 0.00 -1.72 0.00 0.00 55.73 53.57 2kd3 s ARG 101 Cb -0.17 -1.24 0.68 0.00 -0.45 0.00 0.00 34.95 33.77 2kd3 s ARG 101 CO 0.14 -1.06 1.97 -1.35 -0.68 0.00 0.00 175.30 174.32 2kd3 h PRO 102 N 8.06 0.80 -0.32 3.54 0.11 -1.97 -0.46 132.00 141.76 2kd3 h PRO 102 Ca -0.14 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.93 2kd3 h PRO 102 Cb 1.00 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2kd3 h PRO 102 CO 0.40 0.53 0.00 0.09 -0.21 0.00 0.00 178.00 178.81 2kd3 n ASN 103 N -4.46 2.60 0.00 -2.05 3.02 -1.26 -5.04 115.26 108.07 2kd3 n ASN 103 Ca 0.10 -1.88 0.00 0.00 -0.03 0.00 0.00 54.58 52.76 2kd3 n ASN 103 Cb 0.16 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 2kd3 n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kd3 n GLY 104 N 1.32 0.51 3.67 7.41 0.00 -0.18 -4.58 105.19 113.33 2kd3 n GLY 104 Ca 0.18 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.37 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 -4.61 0.93 1.21 1.61 0.02 -1.26 -4.69 135.00 128.21 2kd3 s PRO 105 Ca 0.00 1.06 -0.14 0.00 0.02 0.00 0.00 61.00 61.94 2kd3 s PRO 105 Cb 0.00 -1.75 0.31 0.00 0.02 0.00 0.00 34.50 33.07 2kd3 s PRO 105 CO 0.00 -2.53 1.01 0.16 -0.33 0.00 0.00 177.00 175.30 2kd3 s ASP 106 N -3.06 0.56 0.34 2.53 1.47 -1.26 -2.96 116.67 114.29 2kd3 s ASP 106 Ca 0.65 1.43 -0.28 0.00 1.18 0.00 0.00 52.55 55.52 2kd3 s ASP 106 Cb -0.20 -2.20 -0.10 0.00 -0.34 0.00 0.00 42.92 40.07 2kd3 s ASP 106 CO 0.58 -4.45 1.32 -0.36 0.68 0.00 0.00 175.17 172.95 2kd3 s PHE 107 N -2.41 2.98 0.00 2.11 0.08 -1.13 -3.35 117.98 116.26 2kd3 s PHE 107 Ca 0.69 1.40 0.00 0.00 0.12 0.00 0.00 56.93 59.13 2kd3 s PHE 107 Cb -0.24 -3.70 0.00 0.00 -0.57 0.00 0.00 43.02 38.50 2kd3 s PHE 107 CO 0.65 -1.97 0.00 -2.13 -0.10 0.00 0.00 175.22 171.67 2kd3 n ARG 108 N 0.68 0.00 -3.89 0.44 0.63 -1.08 -4.80 116.66 108.64 2kd3 n ARG 108 Ca 0.01 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.77 2kd3 n ARG 108 Cb 0.42 0.00 -0.16 0.00 0.45 0.00 0.00 32.46 33.17 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 0.95 1.66 0.28 0.00 1.01 -0.74 0.11 121.20 124.48 2kd3 s ILE 110 Ca -0.09 -0.72 -0.29 0.00 0.00 0.00 0.00 60.65 59.54 2kd3 s ILE 110 Cb -0.13 -1.57 -0.13 0.00 0.01 0.00 0.00 42.46 40.64 2kd3 s ILE 110 CO -0.02 0.45 1.23 -0.81 0.00 0.00 0.00 174.94 175.79 2kd3 n PRO 111 N 4.74 1.78 0.05 2.79 -0.04 -1.26 -3.11 135.00 139.95 2kd3 n PRO 111 Ca -0.17 0.63 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 2kd3 n PRO 111 Cb 0.50 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 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 1.40 1.07 -4.20 3.54 2.03 -1.26 -4.88 116.55 114.25 2kd3 n ASP 112 Ca 0.09 0.15 -0.24 0.00 0.52 0.00 0.00 54.79 55.31 2kd3 n ASP 112 Cb 0.32 -0.32 -0.14 0.00 -0.72 0.00 0.00 41.12 40.27 2kd3 n ASP 112 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 2kd3 s ARG 113 N -1.99 1.30 0.24 -0.67 3.52 -1.02 -5.07 118.95 115.26 2kd3 s ARG 113 Ca 0.00 -0.81 0.11 0.00 -0.13 0.00 0.00 55.73 54.91 2kd3 s ARG 113 Cb 0.00 -1.34 -0.05 0.00 -1.56 0.00 0.00 34.95 32.00 2kd3 s ARG 113 CO 0.00 0.35 -0.18 0.71 -0.81 0.00 0.00 175.30 175.37 2kd3 s TYR 114 N -0.69 2.37 -0.01 5.12 2.02 -1.26 -2.57 117.35 122.33 2kd3 s TYR 114 Ca 0.06 -0.32 -0.14 0.00 -0.37 0.00 0.00 57.07 56.30 2kd3 s TYR 114 Cb -0.08 -1.10 -0.06 0.00 -0.40 0.00 0.00 41.96 40.33 2kd3 s TYR 114 CO 0.01 0.61 0.39 0.50 -1.57 0.00 0.00 175.55 175.49 2kd3 s ARG 115 N -3.16 3.89 0.07 -0.62 3.52 0.68 -4.68 118.95 118.65 2kd3 s ARG 115 Ca 0.26 0.38 -0.30 0.00 -0.13 0.00 0.00 55.73 55.94 2kd3 s ARG 115 Cb -0.07 -3.22 -0.05 0.00 -1.56 0.00 0.00 34.95 30.05 2kd3 s ARG 115 CO 0.14 0.69 1.08 0.00 -0.81 0.00 0.00 175.30 176.40 2kd3 s ALA 116 N -1.05 3.29 -0.29 6.12 0.00 -1.26 -1.51 121.76 127.07 2kd3 s ALA 116 Ca 0.23 0.71 -0.02 0.00 0.00 0.00 0.00 51.96 52.89 2kd3 s ALA 116 Cb -0.16 -3.37 0.09 0.00 0.00 0.00 0.00 23.12 19.68 2kd3 s ALA 116 CO 0.13 -0.28 0.09 -0.65 0.00 0.00 0.00 175.76 175.05 2kd3 s GLN 117 N 0.64 0.64 -0.46 0.00 -0.21 0.55 -4.97 119.66 115.85 2kd3 s GLN 117 Ca 0.53 -0.88 -0.07 0.00 0.02 0.00 0.00 55.36 54.96 2kd3 s GLN 117 Cb -0.26 -1.90 0.12 0.00 1.00 0.00 0.00 33.01 31.97 2kd3 s GLN 117 CO 0.30 -0.93 0.30 0.50 -2.12 0.00 0.00 175.29 173.35 2kd3 s ARG 118 N 1.72 2.32 0.07 2.91 3.52 -1.26 -0.51 118.95 127.73 2kd3 s ARG 118 Ca 0.08 -1.82 0.06 0.00 -0.13 0.00 0.00 55.73 53.91 2kd3 s ARG 118 Cb -0.17 -3.80 -0.03 0.00 -1.56 0.00 0.00 34.95 29.39 2kd3 s ARG 118 CO -0.24 -1.15 -0.16 0.08 -0.81 0.00 0.00 175.30 173.02 2kd3 s VAL 119 N 1.22 1.24 -0.05 7.11 1.01 -1.04 -4.97 120.40 124.92 2kd3 s VAL 119 Ca 0.07 -1.28 -0.17 0.00 0.00 0.00 0.00 61.98 60.60 2kd3 s VAL 119 Cb -0.25 -1.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 2kd3 s VAL 119 CO -0.02 -0.13 0.46 0.00 0.00 0.00 0.00 175.10 175.40 2kd3 s GLN 120 N -1.62 4.17 -0.14 2.72 -2.07 -1.25 -2.04 119.66 119.43 2kd3 s GLN 120 Ca 0.01 0.46 -0.29 0.00 -1.82 0.00 0.00 55.36 53.71 2kd3 s GLN 120 Cb -0.09 -3.33 -0.02 0.00 -1.09 0.00 0.00 33.01 28.47 2kd3 s GLN 120 CO 0.02 0.41 1.29 -0.51 -1.32 0.00 0.00 175.29 175.19 2kd3 s LEU 121 N -0.21 4.21 0.05 2.60 1.43 0.78 -4.34 118.68 123.20 2kd3 s LEU 121 Ca 0.25 1.76 -0.19 0.00 -1.03 0.00 0.00 54.13 54.92 2kd3 s LEU 121 Cb -0.16 -3.54 -0.06 0.00 0.03 0.00 0.00 46.19 42.46 2kd3 s LEU 121 CO 0.12 -0.75 0.55 -0.76 0.23 0.00 0.00 176.35 175.75 2kd3 s LEU 122 N 3.34 4.50 -0.25 1.79 1.02 0.73 -2.17 118.68 127.63 2kd3 s LEU 122 Ca 0.57 1.20 -0.07 0.00 0.02 0.00 0.00 54.13 55.84 2kd3 s LEU 122 Cb -0.23 -2.86 -0.02 0.00 0.02 0.00 0.00 46.19 43.09 2kd3 s LEU 122 CO 0.17 0.24 0.07 0.00 0.02 0.00 0.00 176.35 176.85 2kd3 s PRO 124 N 1.60 2.77 0.00 0.00 0.04 -1.26 -1.40 135.00 136.75 2kd3 s PRO 124 Ca 0.06 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.08 2kd3 s PRO 124 Cb -0.15 -4.36 0.00 0.00 0.04 0.00 0.00 34.50 30.03 2kd3 s PRO 124 CO 0.03 -2.54 0.00 0.41 0.04 0.00 0.00 177.00 174.94 2kd3 n GLY 125 N 5.66 0.65 2.88 0.56 0.00 -1.26 -5.03 105.19 108.65 2kd3 n GLY 125 Ca 0.23 -0.27 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 2kd3 n GLY 125 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kd3 s GLY 126 N -2.24 -0.03 -0.13 -0.02 0.00 -0.49 -5.03 107.32 99.37 2kd3 s GLY 126 Ca 0.00 0.62 -0.02 0.00 0.00 0.00 0.00 44.72 45.32 2kd3 s GLY 126 CO 0.00 1.94 2.40 0.00 0.00 0.00 0.00 173.10 177.45 2kd3 n ALA 127 N 5.33 5.00 -2.51 3.20 0.00 -1.26 -3.55 120.51 126.72 2kd3 n ALA 127 Ca -0.05 -1.08 -0.31 0.00 0.00 0.00 0.00 53.44 51.99 2kd3 n ALA 127 Cb 0.50 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 1.35 5.39 -1.64 0.00 0.00 -1.26 -5.06 120.51 119.28 2kd3 n ALA 128 Ca 0.21 -4.42 -0.35 0.00 0.00 0.00 0.00 53.44 48.88 2kd3 n ALA 128 Cb 0.61 -1.09 0.04 0.00 0.00 0.00 0.00 19.45 19.01 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 -3.73 2.82 0.08 0.00 0.04 -1.26 -4.81 135.00 128.15 2kd3 s PRO 129 Ca 0.48 1.72 0.02 0.00 0.04 0.00 0.00 61.00 63.27 2kd3 s PRO 129 Cb 0.35 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.93 2kd3 s PRO 129 CO -0.22 -1.30 -0.08 1.03 0.04 0.00 0.00 177.00 176.48 2kd3 s ARG 130 N -3.55 0.75 -0.15 4.56 0.52 -0.92 -4.90 118.95 115.26 2kd3 s ARG 130 Ca 0.75 -1.12 -0.06 0.00 -0.52 0.00 0.00 55.73 54.77 2kd3 s ARG 130 Cb -0.28 -0.33 -0.04 0.00 0.52 0.00 0.00 34.95 34.82 2kd3 s ARG 130 CO 0.36 0.03 0.07 -1.54 0.02 0.00 0.00 175.30 174.24 2kd3 s SER 131 N -2.45 5.71 0.00 0.23 1.04 -1.26 0.27 113.70 117.24 2kd3 s SER 131 Ca 0.04 0.16 -0.00 0.00 0.48 0.00 0.00 55.95 56.63 2kd3 s SER 131 Cb -0.02 -1.90 -0.01 0.00 0.10 0.00 0.00 66.02 64.20 2kd3 s SER 131 CO -0.02 0.25 0.00 -0.60 0.98 0.00 0.00 173.24 173.86 2kd3 s ARG 132 N -0.10 0.13 0.10 4.02 3.52 -0.86 -4.95 118.95 120.80 2kd3 s ARG 132 Ca 0.07 -0.20 -0.04 0.00 -0.13 0.00 0.00 55.73 55.43 2kd3 s ARG 132 Cb -0.12 0.05 -0.05 0.00 -1.56 0.00 0.00 34.95 33.27 2kd3 s ARG 132 CO 0.01 -0.02 0.32 -1.59 -0.81 0.00 0.00 175.30 173.21 2kd3 s LYS 133 N -0.51 3.56 -0.13 5.12 -2.85 -1.26 -2.49 119.74 121.17 2kd3 s LYS 133 Ca -0.06 -0.19 -0.05 0.00 -1.00 0.00 0.00 55.97 54.67 2kd3 s LYS 133 Cb -0.04 -2.93 0.06 0.00 -2.06 0.00 0.00 37.83 32.86 2kd3 s LYS 133 CO -0.00 0.53 0.29 0.08 0.10 0.00 0.00 175.35 176.34 2kd3 s VAL 134 N -1.57 -0.29 -0.41 1.79 1.01 0.34 -4.97 120.40 116.29 2kd3 s VAL 134 Ca 0.38 0.21 -0.15 0.00 0.00 0.00 0.00 61.98 62.42 2kd3 s VAL 134 Cb -0.13 -0.46 0.02 0.00 0.00 0.00 0.00 36.38 35.82 2kd3 s VAL 134 CO 0.25 0.09 0.30 -0.13 0.00 0.00 0.00 175.10 175.60 2kd3 s ARG 135 N 2.00 2.95 -0.18 2.72 0.52 -1.26 -0.33 118.95 125.38 2kd3 s ARG 135 Ca -0.03 -1.05 -0.03 0.00 -0.52 0.00 0.00 55.73 54.10 2kd3 s ARG 135 Cb -0.11 -3.96 -0.02 0.00 0.52 0.00 0.00 34.95 31.38 2kd3 s ARG 135 CO -0.09 -0.76 -0.06 -0.51 0.02 0.00 0.00 175.30 173.89 2kd3 s LEU 136 N 1.66 2.96 -0.76 2.53 2.01 -0.57 -4.78 118.68 121.73 2kd3 s LEU 136 Ca 0.05 -0.29 -0.18 0.00 0.01 0.00 0.00 54.13 53.71 2kd3 s LEU 136 Cb -0.19 -1.72 -0.18 0.00 0.01 0.00 0.00 46.19 44.11 2kd3 s LEU 136 CO 0.09 0.09 1.95 1.33 1.01 0.00 0.00 176.35 180.82 2kd3 n VAL 137 N 4.07 0.00 0.80 -1.59 0.24 -1.26 0.25 118.33 120.84 2kd3 n VAL 137 Ca -0.18 -0.30 0.10 0.00 -2.04 0.00 0.00 64.34 61.92 2kd3 n VAL 137 Cb 0.52 -1.28 0.47 0.00 -1.47 0.00 0.00 33.84 32.08 2kd3 n VAL 137 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kd3 n ALA 138 N 14.34 2.00 -3.58 2.33 0.00 -1.06 -3.14 120.51 131.40 2kd3 n ALA 138 Ca 0.37 -0.08 -0.01 0.00 0.00 0.00 0.00 53.44 53.72 2kd3 n ALA 138 Cb 0.42 -1.34 -0.04 0.00 0.00 0.00 0.00 19.45 18.49 2kd3 n ALA 138 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2kd3 s SER 139 N -2.88 -0.95 0.12 0.00 1.04 -1.18 -4.87 113.70 104.98 2kd3 s SER 139 Ca 0.13 1.33 0.01 0.00 0.48 0.00 0.00 55.95 57.90 2kd3 s SER 139 Cb 0.14 2.00 -0.04 0.00 0.10 0.00 0.00 66.02 68.22 2kd3 s SER 139 CO 0.37 -0.19 -0.01 0.00 0.98 0.00 0.00 173.24 174.38 2kd3 s LYS 141 N -3.92 0.72 -0.41 0.00 1.02 -1.18 -4.94 119.74 111.04 2kd3 s LYS 141 Ca 0.17 -1.06 -0.28 0.00 0.02 0.00 0.00 55.97 54.82 2kd3 s LYS 141 Cb 0.06 0.28 0.00 0.00 -0.52 0.00 0.00 37.83 37.65 2kd3 s LYS 141 CO -0.02 -0.19 1.53 0.00 -0.92 0.00 0.00 175.35 175.76 2kd3 s LYS 143 N 5.26 3.37 0.00 0.00 2.36 -1.26 -4.86 119.74 124.62 2kd3 s LYS 143 Ca 0.66 -0.66 0.04 0.00 -2.55 0.00 0.00 55.97 53.46 2kd3 s LYS 143 Cb -0.16 -2.82 0.21 0.00 -1.05 0.00 0.00 37.83 34.02 2kd3 s LYS 143 CO 0.32 -0.00 0.69 0.54 1.55 0.00 0.00 175.35 178.45