#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 2.61 0.22 4.39 8.00 -1.26 -4.20 116.55 126.31 2kd3 n ASP 49 Ca 0.00 -2.32 0.05 0.00 0.71 0.00 0.00 54.79 53.23 2kd3 n ASP 49 Cb 0.00 -0.56 0.50 0.00 -0.02 0.00 0.00 41.12 41.04 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 1.29 1.13 -0.05 2.53 2.07 -2.05 -1.40 116.25 119.76 2kd3 h VAL 50 Ca 0.01 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.91 2kd3 h VAL 50 Cb 1.02 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 2kd3 h VAL 50 CO 0.17 0.18 0.00 -1.54 0.02 0.00 0.00 177.57 176.40 2kd3 n SER 51 N -4.32 0.57 0.00 0.57 3.41 -1.26 -3.77 113.62 108.82 2kd3 n SER 51 Ca -0.02 -1.50 0.12 0.00 -0.26 0.00 0.00 58.87 57.20 2kd3 n SER 51 Cb 0.24 -0.03 0.69 0.00 -0.26 0.00 0.00 64.21 64.86 2kd3 n SER 51 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2kd3 n GLU 52 N -0.42 0.64 -0.16 4.33 -0.58 -0.53 -3.12 120.64 120.81 2kd3 n GLU 52 Ca 0.15 0.02 0.06 0.00 -0.42 0.00 0.00 57.16 56.97 2kd3 n GLU 52 Cb 0.16 -1.50 0.19 0.00 -0.57 0.00 0.00 31.44 29.72 2kd3 n GLU 52 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2kd3 n TYR 53 N -1.09 0.41 -2.40 -0.32 4.01 -1.25 -4.87 117.16 111.66 2kd3 n TYR 53 Ca 0.16 -0.20 -0.43 0.00 -0.16 0.00 0.00 57.90 57.27 2kd3 n TYR 53 Cb 0.12 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.12 2kd3 n TYR 53 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2kd3 s SER 54 N -1.10 6.91 0.29 7.72 0.01 -1.18 -4.70 113.70 121.65 2kd3 s SER 54 Ca 0.24 1.70 0.04 0.00 1.31 0.00 0.00 55.95 59.25 2kd3 s SER 54 Cb 0.13 -2.54 0.44 0.00 0.21 0.00 0.00 66.02 64.26 2kd3 s SER 54 CO 0.17 -0.79 1.72 0.00 0.41 0.00 0.00 173.24 174.75 2kd3 s ARG 56 N -4.35 1.62 -0.78 0.00 3.03 -1.26 -5.01 118.95 112.20 2kd3 s ARG 56 Ca -0.06 -0.93 -0.19 0.00 2.03 0.00 0.00 55.73 56.58 2kd3 s ARG 56 Cb 0.14 0.53 -0.17 0.00 -1.03 0.00 0.00 34.95 34.41 2kd3 s ARG 56 CO 0.78 -0.75 1.92 0.39 -1.13 0.00 0.00 175.30 176.51 2kd3 n GLU 57 N -0.49 0.15 -4.44 3.89 1.02 -1.26 -4.83 120.64 114.68 2kd3 n GLU 57 Ca -0.05 -1.03 -0.33 0.00 -0.02 0.00 0.00 57.16 55.73 2kd3 n GLU 57 Cb 0.60 -2.99 -0.15 0.00 -0.02 0.00 0.00 31.44 28.88 2kd3 n GLU 57 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2kd3 s LEU 58 N 11.63 2.56 -0.30 -4.62 1.98 -1.26 -5.08 118.68 123.58 2kd3 s LEU 58 Ca 0.69 -0.45 -0.09 0.00 -2.89 0.00 0.00 54.13 51.40 2kd3 s LEU 58 Cb -0.12 -1.59 0.16 0.00 0.66 0.00 0.00 46.19 45.30 2kd3 s LEU 58 CO 0.16 0.08 0.76 -1.00 -1.89 0.00 0.00 176.35 174.46 2kd3 s HIS 59 N 0.88 -1.17 0.27 5.38 3.76 -1.26 -4.77 115.29 118.38 2kd3 s HIS 59 Ca -0.04 1.66 0.12 0.00 -0.15 0.00 0.00 55.06 56.66 2kd3 s HIS 59 Cb -0.15 0.57 -0.05 0.00 1.11 0.00 0.00 32.58 34.06 2kd3 s HIS 59 CO -0.01 -0.61 -0.20 0.71 -0.85 0.00 0.00 174.74 173.79 2kd3 s TYR 60 N 2.79 2.30 -0.59 1.40 1.51 0.24 -4.94 117.35 120.06 2kd3 s TYR 60 Ca 0.03 -0.33 0.04 0.00 -1.01 0.00 0.00 57.07 55.80 2kd3 s TYR 60 Cb -0.11 -1.01 0.16 0.00 -0.11 0.00 0.00 41.96 40.88 2kd3 s TYR 60 CO -0.18 0.69 0.39 0.95 -1.11 0.00 0.00 175.55 176.29 2kd3 s THR 61 N -2.41 2.33 -0.16 -0.71 -4.23 -1.26 0.13 115.64 109.33 2kd3 s THR 61 Ca 0.29 -3.63 0.01 0.00 -1.18 0.00 0.00 61.69 57.18 2kd3 s THR 61 Cb -0.05 -2.57 0.01 0.00 1.34 0.00 0.00 72.50 71.23 2kd3 s THR 61 CO 0.15 -0.97 -0.19 -0.13 -0.54 0.00 0.00 174.62 172.94 2kd3 s ARG 62 N -0.76 3.09 0.00 3.99 0.52 -1.26 -4.96 118.95 119.56 2kd3 s ARG 62 Ca 0.23 -0.81 0.00 0.00 -0.52 0.00 0.00 55.73 54.63 2kd3 s ARG 62 Cb -0.11 -2.55 0.00 0.00 0.52 0.00 0.00 34.95 32.81 2kd3 s ARG 62 CO -0.11 -0.06 0.00 1.19 0.02 0.00 0.00 175.30 176.35 2kd3 n PHE 63 N 4.22 0.00 -3.64 -0.53 3.01 -1.26 -4.80 117.46 114.46 2kd3 n PHE 63 Ca -0.20 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.19 2kd3 n PHE 63 Cb 0.51 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.91 2kd3 n PHE 63 CO 0.00 0.00 0.00 -0.48 1.01 0.00 0.00 176.76 177.29 2kd3 s LEU 64 N -2.91 -0.43 0.02 4.37 2.34 -1.26 -4.85 118.68 115.97 2kd3 s LEU 64 Ca 0.00 0.80 0.05 0.00 0.06 0.00 0.00 54.13 55.04 2kd3 s LEU 64 Cb 0.00 1.79 -0.02 0.00 -0.56 0.00 0.00 46.19 47.41 2kd3 s LEU 64 CO 0.00 -0.14 -0.15 0.42 -1.06 0.00 0.00 176.35 175.43 2kd3 s THR 65 N 0.39 1.16 0.00 5.48 -4.23 -1.26 -1.59 115.64 115.59 2kd3 s THR 65 Ca 0.02 -0.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.66 2kd3 s THR 65 Cb -0.05 -1.02 0.00 0.00 1.34 0.00 0.00 72.50 72.78 2kd3 s THR 65 CO -0.08 0.13 0.00 -0.67 -0.54 0.00 0.00 174.62 173.46 2kd3 n ASP 66 N 2.20 0.00 -1.98 3.99 -0.08 -1.04 -5.03 116.55 114.61 2kd3 n ASP 66 Ca -0.17 -0.27 -0.21 0.00 -1.51 0.00 0.00 54.79 52.64 2kd3 n ASP 66 Cb 0.55 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 44.00 2kd3 n ASP 66 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kd3 n GLY 67 N 0.00 -0.90 0.00 0.27 0.00 -1.26 -2.64 105.19 100.66 2kd3 n GLY 67 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.49 0.00 -3.72 1.61 -0.02 -1.26 -4.50 135.00 127.60 2kd3 n PRO 68 Ca 0.07 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.49 2kd3 n PRO 68 Cb 0.13 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.59 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 -3.61 0.86 0.76 0.00 3.52 0.07 -2.49 118.95 118.06 2kd3 s ARG 70 Ca 0.09 0.67 -0.09 0.00 -0.13 0.00 0.00 55.73 56.27 2kd3 s ARG 70 Cb -0.03 0.41 0.08 0.00 -1.56 0.00 0.00 34.95 33.86 2kd3 s ARG 70 CO 0.01 -0.18 1.09 -1.54 -0.81 0.00 0.00 175.30 173.87 2kd3 s SER 71 N -0.24 4.55 0.00 -2.12 1.04 -0.62 0.20 113.70 116.51 2kd3 s SER 71 Ca -0.03 0.48 0.06 0.00 0.48 0.00 0.00 55.95 56.93 2kd3 s SER 71 Cb -0.03 -1.01 0.09 0.00 0.10 0.00 0.00 66.02 65.17 2kd3 s SER 71 CO 0.03 -1.80 0.90 0.00 0.98 0.00 0.00 173.24 173.35 2kd3 n ALA 72 N -3.10 2.68 -1.77 5.32 0.00 -1.26 -4.63 120.51 117.75 2kd3 n ALA 72 Ca 0.09 -0.91 -0.38 0.00 0.00 0.00 0.00 53.44 52.24 2kd3 n ALA 72 Cb 0.60 -0.36 -0.01 0.00 0.00 0.00 0.00 19.45 19.69 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 3.93 -0.18 0.00 1.02 -1.26 -4.88 119.74 118.36 2kd3 s LYS 73 Ca 0.07 1.94 -0.32 0.00 0.02 0.00 0.00 55.97 57.68 2kd3 s LYS 73 Cb 0.08 -2.63 -0.09 0.00 -0.52 0.00 0.00 37.83 34.67 2kd3 s LYS 73 CO -0.04 -0.46 2.07 -2.30 -0.92 0.00 0.00 175.35 173.71 2kd3 n PRO 74 N -0.07 1.90 -4.22 -1.68 -0.02 -1.26 -4.83 135.00 124.83 2kd3 n PRO 74 Ca 0.05 0.62 -0.16 0.00 -2.02 0.00 0.00 63.50 61.98 2kd3 n PRO 74 Cb 0.46 -2.81 -0.11 0.00 -0.02 0.00 0.00 33.50 31.02 2kd3 n PRO 74 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2kd3 s VAL 75 N 6.17 1.18 -0.17 -1.45 -7.23 -1.26 -5.13 120.40 112.52 2kd3 s VAL 75 Ca 0.99 -1.72 -0.00 0.00 -1.81 0.00 0.00 61.98 59.44 2kd3 s VAL 75 Cb -0.61 -1.50 0.00 0.00 0.56 0.00 0.00 36.38 34.84 2kd3 s VAL 75 CO 0.45 -0.50 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.71 2kd3 s THR 76 N -2.35 2.66 -0.11 5.32 2.01 -1.26 -4.39 115.64 117.52 2kd3 s THR 76 Ca 0.08 -0.76 0.03 0.00 0.31 0.00 0.00 61.69 61.35 2kd3 s THR 76 Cb -0.04 -2.13 0.01 0.00 0.01 0.00 0.00 72.50 70.35 2kd3 s THR 76 CO 0.02 0.51 -0.21 -0.70 -0.69 0.00 0.00 174.62 173.55 2kd3 s GLU 77 N 0.97 2.77 -0.19 4.92 2.56 0.35 -4.66 118.70 125.41 2kd3 s GLU 77 Ca -0.02 -0.77 -0.03 0.00 0.00 0.00 0.00 54.97 54.15 2kd3 s GLU 77 Cb -0.15 -2.19 -0.01 0.00 2.00 0.00 0.00 34.13 33.78 2kd3 s GLU 77 CO -0.02 0.06 -0.08 -0.51 -0.56 0.00 0.00 175.26 174.15 2kd3 s LEU 78 N 0.64 2.81 -0.92 2.70 1.02 -1.23 0.81 118.68 124.51 2kd3 s LEU 78 Ca -0.12 -0.38 -0.02 0.00 0.02 0.00 0.00 54.13 53.63 2kd3 s LEU 78 Cb -0.16 -1.69 0.25 0.00 0.02 0.00 0.00 46.19 44.60 2kd3 s LEU 78 CO 0.03 0.04 0.95 1.33 0.02 0.00 0.00 176.35 178.71 2kd3 n VAL 79 N 4.41 3.52 -2.77 -1.59 0.24 -1.26 -4.79 118.33 116.09 2kd3 n VAL 79 Ca -0.18 -5.31 -0.43 0.00 -2.04 0.00 0.00 64.34 56.38 2kd3 n VAL 79 Cb 0.51 -2.31 -0.03 0.00 -1.47 0.00 0.00 33.84 30.54 2kd3 n VAL 79 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kd3 s SER 81 N 2.05 1.82 0.00 0.00 1.04 -0.52 -3.35 113.70 114.74 2kd3 s SER 81 Ca 0.40 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.71 2kd3 s SER 81 Cb -0.11 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.39 2kd3 s SER 81 CO 0.22 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.70 2kd3 n GLY 82 N 4.94 3.24 3.48 7.32 0.00 -1.05 -4.89 105.19 118.22 2kd3 n GLY 82 Ca 0.02 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 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 1.26 1.90 0.16 1.61 -0.21 -1.26 0.02 119.66 123.13 2kd3 s GLN 83 Ca 0.00 -1.10 0.06 0.00 0.02 0.00 0.00 55.36 54.34 2kd3 s GLN 83 Cb 0.00 -2.15 -0.04 0.00 1.00 0.00 0.00 33.01 31.82 2kd3 s GLN 83 CO 0.00 0.50 -0.13 0.00 -2.12 0.00 0.00 175.29 173.54 2kd3 n GLY 85 N 0.03 4.10 3.74 0.00 0.00 -1.26 -3.93 105.19 107.86 2kd3 n GLY 85 Ca -0.12 -2.25 -0.38 0.00 0.00 0.00 0.00 46.02 43.28 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 -2.12 2.78 0.00 1.61 0.04 -1.26 -4.88 135.00 131.17 2kd3 s PRO 86 Ca 0.39 2.15 0.20 0.00 0.04 0.00 0.00 61.00 63.77 2kd3 s PRO 86 Cb 0.19 -2.01 1.11 0.00 0.04 0.00 0.00 34.50 33.83 2kd3 s PRO 86 CO -0.07 -1.44 1.58 0.00 0.04 0.00 0.00 177.00 177.11 2kd3 n ALA 87 N -1.55 2.16 -2.33 8.56 0.00 -1.26 -4.74 120.51 121.35 2kd3 n ALA 87 Ca 0.14 -0.11 -0.43 0.00 0.00 0.00 0.00 53.44 53.04 2kd3 n ALA 87 Cb 0.47 -1.32 -0.02 0.00 0.00 0.00 0.00 19.45 18.58 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 -2.19 4.24 -0.38 0.00 6.06 -1.26 -4.99 118.95 120.43 2kd3 s ARG 88 Ca 0.26 1.79 -0.13 0.00 -2.50 0.00 0.00 55.73 55.15 2kd3 s ARG 88 Cb 0.13 -3.77 0.01 0.00 0.06 0.00 0.00 34.95 31.38 2kd3 s ARG 88 CO 0.25 -0.70 0.24 -0.51 -2.50 0.00 0.00 175.30 172.08 2kd3 s LEU 89 N 3.40 4.78 -0.51 -0.88 2.01 -1.26 -4.59 118.68 121.63 2kd3 s LEU 89 Ca 0.59 -0.82 0.03 0.00 0.01 0.00 0.00 54.13 53.94 2kd3 s LEU 89 Cb -0.25 -2.09 0.14 0.00 0.01 0.00 0.00 46.19 44.00 2kd3 s LEU 89 CO 0.19 -0.37 0.28 -0.22 1.01 0.00 0.00 176.35 177.24 2kd3 s LEU 90 N 1.64 3.74 -0.72 1.79 1.98 -1.25 -4.90 118.68 120.95 2kd3 s LEU 90 Ca 0.04 -2.98 -0.26 0.00 -2.89 0.00 0.00 54.13 48.04 2kd3 s LEU 90 Cb -0.19 -1.40 -0.02 0.00 0.66 0.00 0.00 46.19 45.24 2kd3 s LEU 90 CO 0.09 -0.22 1.80 -2.16 -1.89 0.00 0.00 176.35 173.97 2kd3 s PRO 91 N -0.20 2.71 -0.31 0.98 0.04 -1.23 -4.18 135.00 132.81 2kd3 s PRO 91 Ca 0.18 0.20 0.17 0.00 0.04 0.00 0.00 61.00 61.60 2kd3 s PRO 91 Cb -0.22 -4.59 0.46 0.00 0.04 0.00 0.00 34.50 30.18 2kd3 s PRO 91 CO -0.02 -2.82 1.20 0.27 0.04 0.00 0.00 177.00 175.67 2kd3 n ASN 92 N 12.55 0.36 0.32 6.66 6.94 -1.26 -4.80 115.26 136.02 2kd3 n ASN 92 Ca 0.24 -2.31 -0.17 0.00 -0.02 0.00 0.00 54.58 52.32 2kd3 n ASN 92 Cb 0.50 -0.02 -0.09 0.00 -2.36 0.00 0.00 39.78 37.82 2kd3 n ASN 92 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kd3 h ALA 93 N 2.28 -0.77 0.00 -2.53 0.00 -1.90 -3.40 119.26 112.94 2kd3 h ALA 93 Ca -0.22 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2kd3 h ALA 93 Cb 1.26 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2kd3 h ALA 93 CO 0.15 -0.92 -0.90 -0.89 0.00 0.00 0.00 179.25 176.69 2kd3 n ILE 94 N -5.41 0.00 0.00 0.00 5.41 -1.26 -5.05 119.36 113.05 2kd3 n ILE 94 Ca -0.13 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.62 2kd3 n ILE 94 Cb 0.32 -0.63 0.00 0.00 -0.71 0.00 0.00 39.64 38.62 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 2.65 3.51 3.76 7.39 0.00 -1.26 -5.09 105.19 116.14 2kd3 n GLY 95 Ca 0.00 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.65 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 3.28 -0.07 1.61 0.52 -1.26 -5.02 118.95 118.01 2kd3 s ARG 96 Ca 0.00 1.82 0.04 0.00 -0.52 0.00 0.00 55.73 57.07 2kd3 s ARG 96 Cb 0.00 -2.11 -0.00 0.00 0.52 0.00 0.00 34.95 33.36 2kd3 s ARG 96 CO 0.00 -0.96 -0.21 0.08 0.02 0.00 0.00 175.30 174.23 2kd3 s VAL 97 N -1.58 1.80 0.00 3.52 1.01 -1.26 -4.70 120.40 119.20 2kd3 s VAL 97 Ca 0.72 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.81 2kd3 s VAL 97 Cb -0.30 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.53 2kd3 s VAL 97 CO 0.34 0.50 0.00 2.29 0.00 0.00 0.00 175.10 178.23 2kd3 n LYS 98 N 3.34 0.00 -0.29 2.72 2.85 -1.26 -4.90 118.16 120.62 2kd3 n LYS 98 Ca -0.19 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.18 2kd3 n LYS 98 Cb 0.53 0.00 0.28 0.00 -0.65 0.00 0.00 35.03 35.19 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 0.77 -0.21 5.58 4.27 -1.26 -5.04 117.44 121.54 2kd3 n TRP 99 Ca 0.00 -0.38 -0.07 0.00 -3.89 0.00 0.00 57.50 53.15 2kd3 n TRP 99 Cb 0.00 0.00 -0.01 0.00 -1.36 0.00 0.00 31.31 29.94 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 1.44 -0.04 -3.68 -2.67 -0.00 -1.26 -4.94 117.44 106.29 2kd3 n TRP 100 Ca 0.22 0.15 -0.29 0.00 -0.00 0.00 0.00 57.50 57.57 2kd3 n TRP 100 Cb 0.57 -0.30 -0.12 0.00 -0.00 0.00 0.00 31.31 31.46 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 -0.12 1.37 0.00 5.87 0.52 -1.26 -4.97 118.95 120.37 2kd3 s ARG 101 Ca 0.10 -2.19 0.07 0.00 -0.52 0.00 0.00 55.73 53.19 2kd3 s ARG 101 Cb -0.15 -2.32 0.43 0.00 0.52 0.00 0.00 34.95 33.43 2kd3 s ARG 101 CO 0.08 -1.22 0.92 -0.35 0.02 0.00 0.00 175.30 174.76 2kd3 n PRO 102 N 3.22 0.21 -0.03 3.54 -0.04 -1.26 -3.17 135.00 137.47 2kd3 n PRO 102 Ca 0.14 0.03 0.13 0.00 -0.04 0.00 0.00 63.50 63.76 2kd3 n PRO 102 Cb 0.37 -1.50 0.56 0.00 -0.04 0.00 0.00 33.50 32.88 2kd3 n PRO 102 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 2kd3 h ASN 103 N 0.00 0.25 -4.26 3.54 -0.73 -1.92 -3.32 115.58 109.14 2kd3 h ASN 103 Ca 0.00 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.18 2kd3 h ASN 103 Cb 0.01 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 38.55 2kd3 h ASN 103 CO 0.00 0.15 0.00 0.61 -0.37 0.00 0.00 177.43 177.82 2kd3 n GLY 104 N -1.55 -1.30 3.63 1.57 0.00 -1.19 -4.75 105.19 101.60 2kd3 n GLY 104 Ca 0.09 -1.58 -0.29 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.86 0.26 -0.10 1.61 0.04 -1.26 -4.92 135.00 127.78 2kd3 s PRO 105 Ca 0.00 0.78 -0.30 0.00 0.04 0.00 0.00 61.00 61.52 2kd3 s PRO 105 Cb 0.00 -1.70 -0.03 0.00 0.04 0.00 0.00 34.50 32.82 2kd3 s PRO 105 CO 0.00 -2.91 1.24 0.34 0.04 0.00 0.00 177.00 175.71 2kd3 s ASP 106 N -3.10 7.00 -0.11 6.66 2.15 -1.26 -5.01 116.67 123.00 2kd3 s ASP 106 Ca 0.66 1.78 -0.02 0.00 0.43 0.00 0.00 52.55 55.40 2kd3 s ASP 106 Cb -0.21 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 39.83 2kd3 s ASP 106 CO 0.60 -0.66 -0.01 -0.36 -0.17 0.00 0.00 175.17 174.56 2kd3 s PHE 107 N 2.75 3.10 0.13 -5.34 0.08 -1.25 -4.72 117.98 112.73 2kd3 s PHE 107 Ca 0.56 0.02 0.10 0.00 0.12 0.00 0.00 56.93 57.74 2kd3 s PHE 107 Cb -0.24 -1.85 -0.04 0.00 -0.57 0.00 0.00 43.02 40.32 2kd3 s PHE 107 CO 0.19 0.28 -0.24 1.03 -0.10 0.00 0.00 175.22 176.38 2kd3 s ARG 108 N -0.42 1.51 -0.57 0.44 0.52 0.52 0.16 118.95 121.11 2kd3 s ARG 108 Ca 0.07 -1.32 -0.21 0.00 -0.52 0.00 0.00 55.73 53.75 2kd3 s ARG 108 Cb -0.12 -1.95 0.06 0.00 0.52 0.00 0.00 34.95 33.46 2kd3 s ARG 108 CO 0.02 0.45 0.81 0.00 0.02 0.00 0.00 175.30 176.60 2kd3 s ILE 110 N 3.35 1.71 0.57 0.00 -5.25 -1.21 -1.44 121.20 118.94 2kd3 s ILE 110 Ca 0.20 -1.92 -0.21 0.00 -0.99 0.00 0.00 60.65 57.74 2kd3 s ILE 110 Cb -0.18 -1.81 -0.04 0.00 2.95 0.00 0.00 42.46 43.38 2kd3 s ILE 110 CO 0.12 -0.37 1.35 -0.81 -1.79 0.00 0.00 174.94 173.44 2kd3 n PRO 111 N 0.25 1.56 0.00 0.37 -0.04 -1.25 -3.97 135.00 131.92 2kd3 n PRO 111 Ca -0.13 0.58 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 2kd3 n PRO 111 Cb 0.57 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 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 -1.23 0.67 -4.31 3.54 9.92 -1.26 -4.90 116.55 118.98 2kd3 n ASP 112 Ca 0.12 0.00 -0.24 0.00 -0.53 0.00 0.00 54.79 54.14 2kd3 n ASP 112 Cb 0.45 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.81 2kd3 n ASP 112 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 2kd3 s ARG 113 N -1.80 1.20 0.10 -1.24 3.52 -1.25 -5.07 118.95 114.40 2kd3 s ARG 113 Ca 0.00 -1.26 0.05 0.00 -0.13 0.00 0.00 55.73 54.39 2kd3 s ARG 113 Cb 0.00 -1.41 -0.03 0.00 -1.56 0.00 0.00 34.95 31.94 2kd3 s ARG 113 CO 0.00 0.32 -0.14 0.71 -0.81 0.00 0.00 175.30 175.38 2kd3 s TYR 114 N -1.45 1.31 -0.04 5.12 1.51 -1.26 -3.73 117.35 118.81 2kd3 s TYR 114 Ca 0.10 -0.53 -0.14 0.00 -1.01 0.00 0.00 57.07 55.49 2kd3 s TYR 114 Cb -0.09 -0.71 -0.05 0.00 -0.11 0.00 0.00 41.96 41.01 2kd3 s TYR 114 CO 0.05 0.10 0.38 0.50 -1.11 0.00 0.00 175.55 175.47 2kd3 s ARG 115 N -2.33 3.97 -0.22 -0.62 3.52 0.42 -4.68 118.95 119.01 2kd3 s ARG 115 Ca 0.05 0.34 -0.27 0.00 -0.13 0.00 0.00 55.73 55.71 2kd3 s ARG 115 Cb -0.07 -3.27 0.00 0.00 -1.56 0.00 0.00 34.95 30.06 2kd3 s ARG 115 CO 0.02 0.58 0.95 0.00 -0.81 0.00 0.00 175.30 176.04 2kd3 s ALA 116 N -0.69 3.63 -0.01 6.12 0.00 -1.26 -0.86 121.76 128.69 2kd3 s ALA 116 Ca 0.22 0.08 0.03 0.00 0.00 0.00 0.00 51.96 52.29 2kd3 s ALA 116 Cb -0.16 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 2kd3 s ALA 116 CO 0.11 -0.93 -0.08 1.14 0.00 0.00 0.00 175.76 176.00 2kd3 s GLN 117 N 2.87 0.69 -0.26 0.00 -2.07 0.48 -4.96 119.66 116.41 2kd3 s GLN 117 Ca 0.41 -0.29 0.02 0.00 -1.82 0.00 0.00 55.36 53.67 2kd3 s GLN 117 Cb -0.16 -0.67 0.06 0.00 -1.09 0.00 0.00 33.01 31.16 2kd3 s GLN 117 CO 0.08 0.17 -0.06 1.03 -1.32 0.00 0.00 175.29 175.19 2kd3 s ARG 118 N -0.15 1.82 0.06 9.60 0.52 -1.26 0.18 118.95 129.72 2kd3 s ARG 118 Ca 0.03 -1.21 0.09 0.00 -0.52 0.00 0.00 55.73 54.12 2kd3 s ARG 118 Cb -0.04 -2.74 -0.03 0.00 0.52 0.00 0.00 34.95 32.66 2kd3 s ARG 118 CO -0.00 -0.63 -0.26 0.08 0.02 0.00 0.00 175.30 174.51 2kd3 s VAL 119 N 1.24 2.12 -0.12 3.52 1.01 -0.79 -4.93 120.40 122.46 2kd3 s VAL 119 Ca -0.05 -1.42 -0.22 0.00 0.00 0.00 0.00 61.98 60.29 2kd3 s VAL 119 Cb -0.19 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 2kd3 s VAL 119 CO -0.06 0.32 0.65 -1.10 0.00 0.00 0.00 175.10 174.91 2kd3 s GLN 120 N -1.33 4.35 -0.03 2.72 1.11 -1.25 -2.21 119.66 123.01 2kd3 s GLN 120 Ca 0.12 0.75 -0.30 0.00 0.01 0.00 0.00 55.36 55.93 2kd3 s GLN 120 Cb -0.10 -3.49 -0.03 0.00 -1.01 0.00 0.00 33.01 28.38 2kd3 s GLN 120 CO 0.02 -0.03 1.13 -0.51 0.01 0.00 0.00 175.29 175.92 2kd3 s LEU 121 N 1.16 4.31 0.11 2.90 1.43 0.65 -4.41 118.68 124.82 2kd3 s LEU 121 Ca 0.33 1.78 -0.18 0.00 -1.03 0.00 0.00 54.13 55.04 2kd3 s LEU 121 Cb -0.17 -3.56 -0.07 0.00 0.03 0.00 0.00 46.19 42.42 2kd3 s LEU 121 CO 0.14 -0.49 0.57 -0.76 0.23 0.00 0.00 176.35 176.05 2kd3 s LEU 122 N 1.75 4.45 0.18 1.79 1.02 0.13 -1.40 118.68 126.60 2kd3 s LEU 122 Ca 0.55 1.21 0.10 0.00 0.02 0.00 0.00 54.13 56.01 2kd3 s LEU 122 Cb -0.24 -3.07 -0.04 0.00 0.02 0.00 0.00 46.19 42.86 2kd3 s LEU 122 CO 0.24 0.20 -0.19 0.00 0.02 0.00 0.00 176.35 176.61 2kd3 n PRO 124 N 0.26 0.84 -0.41 0.00 -0.02 -1.26 0.13 135.00 134.55 2kd3 n PRO 124 Ca -0.12 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 2kd3 n PRO 124 Cb 0.55 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 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 6.23 0.76 3.23 -1.23 0.00 -1.26 -4.59 105.19 108.33 2kd3 n GLY 125 Ca 0.41 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.26 -0.60 0.62 -0.02 0.00 0.35 -4.90 105.19 98.39 2kd3 n GLY 126 Ca 0.00 0.56 -0.12 0.00 0.00 0.00 0.00 46.02 46.46 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 -1.44 2.18 -2.99 4.61 0.00 -1.26 -4.84 120.51 116.77 2kd3 n ALA 127 Ca -0.18 -0.47 -0.26 0.00 0.00 0.00 0.00 53.44 52.53 2kd3 n ALA 127 Cb 0.50 0.31 -0.04 0.00 0.00 0.00 0.00 19.45 20.21 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 -3.61 4.45 -1.30 0.00 0.00 -1.26 -5.10 120.51 113.68 2kd3 n ALA 128 Ca -0.21 -4.62 -0.37 0.00 0.00 0.00 0.00 53.44 48.24 2kd3 n ALA 128 Cb 0.60 -0.76 0.05 0.00 0.00 0.00 0.00 19.45 19.34 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 -0.13 0.30 -4.35 0.00 -0.04 -1.26 -4.88 135.00 124.64 2kd3 n PRO 129 Ca 0.30 0.13 -0.20 0.00 -0.04 0.00 0.00 63.50 63.70 2kd3 n PRO 129 Cb 0.41 -1.64 -0.10 0.00 -0.04 0.00 0.00 33.50 32.13 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 -2.31 1.35 -0.07 0.54 0.52 -0.49 -4.93 118.95 113.56 2kd3 s ARG 130 Ca 0.64 -1.55 0.03 0.00 -0.52 0.00 0.00 55.73 54.32 2kd3 s ARG 130 Cb -0.38 -1.25 -0.02 0.00 0.52 0.00 0.00 34.95 33.81 2kd3 s ARG 130 CO 0.59 0.23 -0.15 0.45 0.02 0.00 0.00 175.30 176.44 2kd3 s SER 131 N -3.14 3.94 -0.12 0.23 0.15 -1.26 0.24 113.70 113.72 2kd3 s SER 131 Ca 0.21 -0.26 -0.09 0.00 0.70 0.00 0.00 55.95 56.51 2kd3 s SER 131 Cb -0.03 -1.06 0.04 0.00 -1.71 0.00 0.00 66.02 63.26 2kd3 s SER 131 CO 0.08 0.28 0.32 -0.60 1.20 0.00 0.00 173.24 174.52 2kd3 s ARG 132 N -0.37 0.34 -0.05 5.44 3.52 -0.94 -4.92 118.95 121.97 2kd3 s ARG 132 Ca 0.04 0.52 -0.11 0.00 -0.13 0.00 0.00 55.73 56.05 2kd3 s ARG 132 Cb -0.12 0.08 -0.05 0.00 -1.56 0.00 0.00 34.95 33.29 2kd3 s ARG 132 CO 0.02 -0.09 0.29 -1.59 -0.81 0.00 0.00 175.30 173.12 2kd3 s LYS 133 N 0.62 3.69 -0.10 5.12 -2.85 -1.26 -1.88 119.74 123.08 2kd3 s LYS 133 Ca -0.04 0.14 -0.04 0.00 -1.00 0.00 0.00 55.97 55.03 2kd3 s LYS 133 Cb -0.05 -3.19 0.05 0.00 -2.06 0.00 0.00 37.83 32.58 2kd3 s LYS 133 CO -0.04 0.72 0.21 0.08 0.10 0.00 0.00 175.35 176.43 2kd3 s VAL 134 N -1.09 -0.17 -0.39 1.79 1.01 0.47 -4.96 120.40 117.07 2kd3 s VAL 134 Ca 0.21 0.22 -0.15 0.00 0.00 0.00 0.00 61.98 62.26 2kd3 s VAL 134 Cb -0.14 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 35.89 2kd3 s VAL 134 CO 0.10 0.09 0.32 -0.60 0.00 0.00 0.00 175.10 175.01 2kd3 s ARG 135 N 1.69 3.19 -0.05 2.72 3.52 -1.25 -0.39 118.95 128.38 2kd3 s ARG 135 Ca -0.05 -0.81 0.03 0.00 -0.13 0.00 0.00 55.73 54.77 2kd3 s ARG 135 Cb -0.11 -3.92 -0.03 0.00 -1.56 0.00 0.00 34.95 29.33 2kd3 s ARG 135 CO -0.08 -0.67 -0.13 -0.51 -0.81 0.00 0.00 175.30 173.11 2kd3 s LEU 136 N 1.82 2.83 -0.94 -0.88 1.43 -0.04 -4.71 118.68 118.19 2kd3 s LEU 136 Ca 0.07 -0.16 -0.25 0.00 -1.03 0.00 0.00 54.13 52.76 2kd3 s LEU 136 Cb -0.18 -1.59 -0.20 0.00 0.03 0.00 0.00 46.19 44.26 2kd3 s LEU 136 CO 0.11 0.35 2.20 1.33 0.23 0.00 0.00 176.35 180.57 2kd3 n VAL 137 N 2.28 0.00 0.61 -1.59 0.24 -1.25 0.16 118.33 118.78 2kd3 n VAL 137 Ca -0.17 -0.22 0.11 0.00 -2.04 0.00 0.00 64.34 62.02 2kd3 n VAL 137 Cb 0.52 -1.89 0.45 0.00 -1.47 0.00 0.00 33.84 31.45 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 18.82 1.93 -3.58 2.33 0.00 -1.24 -3.55 120.51 135.21 2kd3 n ALA 138 Ca 0.43 -0.02 -0.02 0.00 0.00 0.00 0.00 53.44 53.82 2kd3 n ALA 138 Cb 0.45 -1.37 -0.05 0.00 0.00 0.00 0.00 19.45 18.47 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 -3.60 -0.79 0.21 0.00 0.15 -1.26 -4.99 113.70 103.43 2kd3 s SER 139 Ca 0.09 1.16 0.08 0.00 0.70 0.00 0.00 55.95 57.98 2kd3 s SER 139 Cb 0.12 1.65 -0.05 0.00 -1.71 0.00 0.00 66.02 66.03 2kd3 s SER 139 CO 0.42 -0.17 -0.16 0.00 1.20 0.00 0.00 173.24 174.53 2kd3 s LYS 141 N -3.52 2.08 -0.68 0.00 1.02 -1.25 -4.67 119.74 112.72 2kd3 s LYS 141 Ca 0.23 -0.98 -0.23 0.00 0.02 0.00 0.00 55.97 55.00 2kd3 s LYS 141 Cb -0.02 -2.21 0.06 0.00 -0.52 0.00 0.00 37.83 35.14 2kd3 s LYS 141 CO 0.08 0.54 1.03 0.00 -0.92 0.00 0.00 175.35 176.07 2kd3 s LYS 143 N 4.36 0.44 0.00 0.00 2.47 -0.40 -4.79 119.74 121.83 2kd3 s LYS 143 Ca 0.25 -0.14 0.00 0.00 -1.56 0.00 0.00 55.97 54.52 2kd3 s LYS 143 Cb -0.15 0.19 0.00 0.00 -1.46 0.00 0.00 37.83 36.41 2kd3 s LYS 143 CO 0.11 -0.10 0.00 0.54 0.16 0.00 0.00 175.35 176.06