#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 2.36 0.01 4.39 5.68 -1.26 -3.64 116.55 124.09 2kd3 n ASP 49 Ca 0.00 -2.18 0.11 0.00 -0.50 0.00 0.00 54.79 52.22 2kd3 n ASP 49 Cb 0.00 -0.37 -0.11 0.00 -1.14 0.00 0.00 41.12 39.49 2kd3 n ASP 49 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 2kd3 n VAL 50 N 0.40 0.12 1.08 2.12 0.24 -1.26 -4.08 118.33 116.95 2kd3 n VAL 50 Ca 0.12 -0.42 0.14 0.00 -2.04 0.00 0.00 64.34 62.13 2kd3 n VAL 50 Cb 0.45 0.07 0.62 0.00 -1.47 0.00 0.00 33.84 33.52 2kd3 n VAL 50 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2kd3 n SER 51 N -2.21 0.03 0.05 -1.34 3.41 -1.20 -2.79 113.62 109.58 2kd3 n SER 51 Ca -0.02 0.34 0.04 0.00 -0.26 0.00 0.00 58.87 58.97 2kd3 n SER 51 Cb 0.52 -0.42 0.44 0.00 -0.26 0.00 0.00 64.21 64.49 2kd3 n SER 51 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2kd3 h GLU 52 N 0.01 0.42 0.00 4.33 5.08 -1.80 -3.35 114.58 119.27 2kd3 h GLU 52 Ca 0.00 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 2kd3 h GLU 52 Cb 0.46 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2kd3 h GLU 52 CO 0.00 0.33 -1.03 2.48 -1.00 0.00 0.00 179.01 179.79 2kd3 n TYR 53 N -4.44 0.00 -3.09 4.33 4.11 -1.22 -5.12 117.16 111.73 2kd3 n TYR 53 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.92 2kd3 n TYR 53 Cb 0.11 -0.41 0.00 0.00 -0.00 0.00 0.00 39.34 39.04 2kd3 n TYR 53 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29 2kd3 n SER 54 N -4.02 0.00 -3.18 9.48 7.64 -1.12 -5.00 113.62 117.42 2kd3 n SER 54 Ca -0.17 -0.66 -0.15 0.00 1.01 0.00 0.00 58.87 58.91 2kd3 n SER 54 Cb 0.45 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.73 2kd3 n SER 54 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kd3 s ARG 56 N -4.76 1.15 -0.72 0.00 1.04 -1.26 -4.34 118.95 110.06 2kd3 s ARG 56 Ca 0.22 -1.26 -0.06 0.00 -1.04 0.00 0.00 55.73 53.59 2kd3 s ARG 56 Cb -0.03 -1.26 0.06 0.00 -2.04 0.00 0.00 34.95 31.68 2kd3 s ARG 56 CO 0.68 0.27 0.15 -1.91 -0.04 0.00 0.00 175.30 174.46 2kd3 n GLU 57 N 0.70 -0.92 -4.01 3.89 2.13 -1.26 -4.83 120.64 116.34 2kd3 n GLU 57 Ca -0.16 0.05 -0.30 0.00 0.66 0.00 0.00 57.16 57.40 2kd3 n GLU 57 Cb 0.55 -1.75 -0.16 0.00 0.27 0.00 0.00 31.44 30.36 2kd3 n GLU 57 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 2kd3 s LEU 58 N -3.99 1.98 -0.16 4.31 -0.00 -1.26 -5.11 118.68 114.45 2kd3 s LEU 58 Ca 0.22 -0.68 -0.11 0.00 -0.00 0.00 0.00 54.13 53.56 2kd3 s LEU 58 Cb -0.13 -1.22 0.05 0.00 -0.00 0.00 0.00 46.19 44.90 2kd3 s LEU 58 CO 0.41 -0.09 0.40 -1.00 -0.00 0.00 0.00 176.35 176.07 2kd3 s HIS 59 N 1.44 -0.53 0.06 3.48 3.76 -1.26 -4.64 115.29 117.59 2kd3 s HIS 59 Ca 0.02 1.19 0.04 0.00 -0.15 0.00 0.00 55.06 56.16 2kd3 s HIS 59 Cb -0.14 0.22 -0.03 0.00 1.11 0.00 0.00 32.58 33.73 2kd3 s HIS 59 CO -0.10 -0.29 -0.13 0.71 -0.85 0.00 0.00 174.74 174.09 2kd3 s TYR 60 N 0.97 1.08 -0.65 1.40 1.51 0.53 -4.89 117.35 117.30 2kd3 s TYR 60 Ca -0.06 -0.47 -0.17 0.00 -1.01 0.00 0.00 57.07 55.36 2kd3 s TYR 60 Cb -0.06 -0.61 0.14 0.00 -0.11 0.00 0.00 41.96 41.32 2kd3 s TYR 60 CO -0.08 0.02 0.67 0.99 -1.11 0.00 0.00 175.55 176.05 2kd3 s THR 61 N -1.32 5.14 -0.13 -0.71 2.01 -1.26 0.16 115.64 119.53 2kd3 s THR 61 Ca -0.04 -1.56 0.00 0.00 0.31 0.00 0.00 61.69 60.40 2kd3 s THR 61 Cb -0.10 -4.45 0.02 0.00 0.01 0.00 0.00 72.50 67.98 2kd3 s THR 61 CO 0.02 -1.04 -0.12 -0.60 -0.69 0.00 0.00 174.62 172.18 2kd3 s ARG 62 N 1.71 2.03 0.00 4.92 6.06 -1.26 -5.00 118.95 127.41 2kd3 s ARG 62 Ca 0.11 -0.46 0.00 0.00 -2.50 0.00 0.00 55.73 52.88 2kd3 s ARG 62 Cb -0.22 -1.88 0.00 0.00 0.06 0.00 0.00 34.95 32.91 2kd3 s ARG 62 CO 0.00 -0.20 0.00 1.19 -2.50 0.00 0.00 175.30 173.80 2kd3 n PHE 63 N 4.66 0.00 -3.64 5.12 3.01 -1.26 -4.75 117.46 120.60 2kd3 n PHE 63 Ca -0.16 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.23 2kd3 n PHE 63 Cb 0.50 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.90 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 -2.07 -0.44 -0.03 4.37 2.34 -1.26 -4.79 118.68 116.80 2kd3 s LEU 64 Ca 0.00 0.80 0.03 0.00 0.06 0.00 0.00 54.13 55.03 2kd3 s LEU 64 Cb 0.00 1.79 -0.00 0.00 -0.56 0.00 0.00 46.19 47.42 2kd3 s LEU 64 CO 0.00 -0.14 -0.12 0.42 -1.06 0.00 0.00 176.35 175.45 2kd3 s THR 65 N 0.48 1.04 0.00 5.48 -4.23 -1.26 -0.86 115.64 116.30 2kd3 s THR 65 Ca 0.01 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 2kd3 s THR 65 Cb -0.05 -0.90 0.00 0.00 1.34 0.00 0.00 72.50 72.89 2kd3 s THR 65 CO -0.09 0.31 0.00 -0.67 -0.54 0.00 0.00 174.62 173.63 2kd3 n ASP 66 N 3.14 0.00 -2.49 3.99 -0.08 -1.07 -5.03 116.55 115.01 2kd3 n ASP 66 Ca -0.17 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 52.84 2kd3 n ASP 66 Cb 0.54 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.99 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 -1.12 0.00 0.27 0.00 -1.26 -2.81 105.19 100.27 2kd3 n GLY 67 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.61 0.00 -3.57 1.61 -0.02 -1.26 -4.56 135.00 127.82 2kd3 n PRO 68 Ca 0.09 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.47 2kd3 n PRO 68 Cb 0.16 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.62 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 -3.81 0.34 0.65 0.00 3.52 0.29 -2.60 118.95 117.34 2kd3 s ARG 70 Ca 0.04 0.46 -0.10 0.00 -0.13 0.00 0.00 55.73 56.00 2kd3 s ARG 70 Cb -0.02 0.12 -0.01 0.00 -1.56 0.00 0.00 34.95 33.48 2kd3 s ARG 70 CO -0.07 -0.07 1.04 0.45 -0.81 0.00 0.00 175.30 175.84 2kd3 s SER 71 N 0.40 5.75 0.00 -2.12 0.15 -0.04 -0.44 113.70 117.40 2kd3 s SER 71 Ca -0.02 1.16 0.08 0.00 0.70 0.00 0.00 55.95 57.87 2kd3 s SER 71 Cb -0.04 -2.09 0.14 0.00 -1.71 0.00 0.00 66.02 62.33 2kd3 s SER 71 CO -0.02 -1.12 0.99 0.00 1.20 0.00 0.00 173.24 174.29 2kd3 n ALA 72 N -2.84 2.93 -1.76 5.45 0.00 -1.26 -4.56 120.51 118.47 2kd3 n ALA 72 Ca 0.06 -1.17 -0.35 0.00 0.00 0.00 0.00 53.44 51.98 2kd3 n ALA 72 Cb 0.56 -0.44 -0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 3.43 -0.09 0.00 2.20 -1.26 -4.91 119.74 119.11 2kd3 s LYS 73 Ca 0.11 1.52 -0.29 0.00 -0.36 0.00 0.00 55.97 56.95 2kd3 s LYS 73 Cb 0.13 -2.02 -0.07 0.00 -1.51 0.00 0.00 37.83 34.35 2kd3 s LYS 73 CO -0.06 -0.77 2.10 -2.30 -0.36 0.00 0.00 175.35 173.97 2kd3 n PRO 74 N -1.32 2.41 -4.14 4.03 -0.02 -1.26 -4.81 135.00 129.90 2kd3 n PRO 74 Ca 0.11 0.79 -0.13 0.00 -2.02 0.00 0.00 63.50 62.25 2kd3 n PRO 74 Cb 0.51 -3.12 -0.11 0.00 -0.02 0.00 0.00 33.50 30.77 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 6.39 0.75 -0.12 -1.45 -7.23 -1.26 -5.12 120.40 112.36 2kd3 s VAL 75 Ca 0.95 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 59.54 2kd3 s VAL 75 Cb -0.39 -1.26 0.02 0.00 0.56 0.00 0.00 36.38 35.31 2kd3 s VAL 75 CO 0.39 -0.62 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.55 2kd3 s THR 76 N -2.55 1.33 0.08 5.32 2.01 -1.26 -4.27 115.64 116.30 2kd3 s THR 76 Ca 0.03 -0.50 0.05 0.00 0.31 0.00 0.00 61.69 61.59 2kd3 s THR 76 Cb -0.02 -1.27 -0.03 0.00 0.01 0.00 0.00 72.50 71.19 2kd3 s THR 76 CO -0.02 0.42 -0.14 -1.83 -0.69 0.00 0.00 174.62 172.36 2kd3 s GLU 77 N 1.41 0.85 -0.09 4.92 -1.05 0.41 -4.88 118.70 120.28 2kd3 s GLU 77 Ca 0.01 -1.00 -0.04 0.00 -0.15 0.00 0.00 54.97 53.79 2kd3 s GLU 77 Cb -0.13 -0.83 -0.04 0.00 -0.44 0.00 0.00 34.13 32.69 2kd3 s GLU 77 CO -0.07 0.18 0.09 -0.51 0.95 0.00 0.00 175.26 175.90 2kd3 s LEU 78 N -1.86 4.09 -0.98 1.83 1.02 -1.24 0.20 118.68 121.74 2kd3 s LEU 78 Ca -0.00 0.32 -0.17 0.00 0.02 0.00 0.00 54.13 54.30 2kd3 s LEU 78 Cb -0.09 -2.06 0.15 0.00 0.02 0.00 0.00 46.19 44.21 2kd3 s LEU 78 CO 0.02 0.37 1.15 0.68 0.02 0.00 0.00 176.35 178.59 2kd3 s VAL 79 N -1.03 4.91 -0.33 -1.59 -7.23 -1.26 -4.86 120.40 109.02 2kd3 s VAL 79 Ca 0.16 -1.93 -0.17 0.00 -1.81 0.00 0.00 61.98 58.23 2kd3 s VAL 79 Cb -0.12 -4.77 -0.01 0.00 0.56 0.00 0.00 36.38 32.04 2kd3 s VAL 79 CO 0.06 -1.47 0.48 0.00 -0.31 0.00 0.00 175.10 173.85 2kd3 s SER 81 N 1.72 4.21 -0.19 0.00 0.01 1.04 -4.58 113.70 115.90 2kd3 s SER 81 Ca 0.18 -0.61 -0.29 0.00 1.31 0.00 0.00 55.95 56.54 2kd3 s SER 81 Cb -0.16 -0.69 -0.04 0.00 0.21 0.00 0.00 66.02 65.34 2kd3 s SER 81 CO 0.12 0.10 1.93 -0.83 0.41 0.00 0.00 173.24 174.97 2kd3 s GLY 82 N -2.89 0.93 0.00 3.44 0.00 -0.96 0.51 107.32 108.35 2kd3 s GLY 82 Ca 0.25 0.70 -0.24 0.00 0.00 0.00 0.00 44.72 45.42 2kd3 s GLY 82 CO 0.15 3.43 0.54 1.62 0.00 0.00 0.00 173.10 178.84 2kd3 s GLN 83 N 5.42 0.98 0.00 2.90 0.74 0.66 -3.80 119.66 126.57 2kd3 s GLN 83 Ca 0.87 -0.05 0.00 0.00 0.05 0.00 0.00 55.36 56.22 2kd3 s GLN 83 Cb -0.30 0.45 0.00 0.00 1.10 0.00 0.00 33.01 34.26 2kd3 s GLN 83 CO 0.34 -0.33 0.00 0.00 -0.55 0.00 0.00 175.29 174.76 2kd3 n GLY 85 N 0.00 2.10 3.13 0.00 0.00 -1.26 -4.89 105.19 104.27 2kd3 n GLY 85 Ca 0.00 -0.68 -0.57 0.00 0.00 0.00 0.00 46.02 44.77 2kd3 n GLY 85 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kd3 n PRO 86 N 0.00 0.00 -1.07 1.61 -0.02 -1.26 -4.83 135.00 129.43 2kd3 n PRO 86 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 2kd3 n PRO 86 Cb 0.00 -1.38 0.24 0.00 -0.02 0.00 0.00 33.50 32.34 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 5.87 4.92 -1.63 3.55 0.00 -1.26 -4.96 120.51 126.99 2kd3 n ALA 87 Ca 0.44 -2.66 -0.41 0.00 0.00 0.00 0.00 53.44 50.81 2kd3 n ALA 87 Cb -0.04 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.12 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 -3.14 2.84 0.32 0.00 3.00 -1.26 -4.95 118.95 115.76 2kd3 s ARG 88 Ca 0.54 1.77 -0.12 0.00 -1.00 0.00 0.00 55.73 56.93 2kd3 s ARG 88 Cb 0.45 -4.42 -0.08 0.00 0.00 0.00 0.00 34.95 30.90 2kd3 s ARG 88 CO 0.11 -2.44 0.70 -0.51 0.00 0.00 0.00 175.30 173.16 2kd3 s LEU 89 N 9.32 4.03 -0.35 -0.88 1.43 -1.26 -4.90 118.68 126.07 2kd3 s LEU 89 Ca 0.97 1.14 -0.19 0.00 -1.03 0.00 0.00 54.13 55.02 2kd3 s LEU 89 Cb -0.27 -3.95 -0.00 0.00 0.03 0.00 0.00 46.19 41.99 2kd3 s LEU 89 CO 0.32 -0.23 0.57 -0.76 0.23 0.00 0.00 176.35 176.48 2kd3 s LEU 90 N -3.19 4.29 0.00 1.79 2.01 -1.26 -5.04 118.68 117.28 2kd3 s LEU 90 Ca 0.51 0.09 0.00 0.00 0.01 0.00 0.00 54.13 54.74 2kd3 s LEU 90 Cb -0.10 -2.68 0.00 0.00 0.01 0.00 0.00 46.19 43.41 2kd3 s LEU 90 CO 0.22 -0.52 0.00 -0.81 1.01 0.00 0.00 176.35 176.25 2kd3 n PRO 91 N 5.87 0.30 -2.42 1.29 -0.04 -1.26 -3.48 135.00 135.25 2kd3 n PRO 91 Ca -0.03 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.01 2kd3 n PRO 91 Cb 0.49 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.92 2kd3 n PRO 91 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2kd3 s ASN 92 N -1.94 7.07 0.00 3.54 0.01 -1.26 -4.49 114.94 117.88 2kd3 s ASN 92 Ca 0.00 1.99 0.24 0.00 -0.71 0.00 0.00 52.86 54.38 2kd3 s ASN 92 Cb 0.00 -2.58 0.34 0.00 0.41 0.00 0.00 41.25 39.43 2kd3 s ASN 92 CO 0.00 -0.49 1.30 0.00 -1.51 0.00 0.00 177.10 176.40 2kd3 n ALA 93 N 4.11 3.58 0.00 0.60 0.00 -1.26 -4.74 120.51 122.80 2kd3 n ALA 93 Ca 0.09 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.04 2kd3 n ALA 93 Cb 0.46 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.79 0.00 0.00 0.00 5.41 -1.26 -5.04 119.36 117.68 2kd3 n ILE 94 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.84 2kd3 n ILE 94 Cb 0.37 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.30 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 -0.56 0.98 3.69 7.39 0.00 -1.26 -5.07 105.19 110.35 2kd3 n GLY 95 Ca 0.00 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 3.23 -0.20 1.61 1.70 -1.26 -5.10 118.95 118.93 2kd3 s ARG 96 Ca 0.00 -0.37 -0.05 0.00 -0.47 0.00 0.00 55.73 54.84 2kd3 s ARG 96 Cb 0.00 -2.91 -0.02 0.00 -0.57 0.00 0.00 34.95 31.45 2kd3 s ARG 96 CO 0.00 0.62 -0.02 0.08 -1.08 0.00 0.00 175.30 174.90 2kd3 s VAL 97 N -0.63 3.76 0.00 4.99 1.01 -1.26 -4.86 120.40 123.41 2kd3 s VAL 97 Ca 0.11 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.71 2kd3 s VAL 97 Cb -0.12 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.56 2kd3 s VAL 97 CO 0.02 0.43 0.53 2.29 0.00 0.00 0.00 175.10 178.37 2kd3 n LYS 98 N 4.39 0.00 0.08 2.72 2.85 -1.26 -5.02 118.16 121.92 2kd3 n LYS 98 Ca -0.17 -0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.02 2kd3 n LYS 98 Cb 0.52 -0.02 0.00 0.00 -0.65 0.00 0.00 35.03 34.88 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 -2.63 -3.57 5.58 4.27 -1.26 -5.17 117.44 114.66 2kd3 n TRP 99 Ca -0.00 0.49 0.00 0.00 -3.89 0.00 0.00 57.50 54.10 2kd3 n TRP 99 Cb 0.51 1.47 0.00 0.00 -1.36 0.00 0.00 31.31 31.93 2kd3 n TRP 99 CO 0.00 0.00 0.00 -2.67 -2.29 0.00 0.00 177.69 172.73 2kd3 n TRP 100 N -2.87 0.00 -3.61 -2.67 -0.00 -1.26 -5.18 117.44 101.85 2kd3 n TRP 100 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.50 57.40 2kd3 n TRP 100 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 31.31 31.25 2kd3 n TRP 100 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 177.69 178.19 2kd3 s ARG 101 N -0.71 0.55 0.00 -2.67 6.06 -1.26 -4.91 118.95 116.02 2kd3 s ARG 101 Ca 0.00 0.43 0.04 0.00 -2.50 0.00 0.00 55.73 53.70 2kd3 s ARG 101 Cb 0.00 0.27 0.26 0.00 0.06 0.00 0.00 34.95 35.53 2kd3 s ARG 101 CO 0.00 -0.11 0.68 -2.30 -2.50 0.00 0.00 175.30 171.07 2kd3 n PRO 102 N 1.65 0.15 -0.11 5.12 -0.02 -1.23 -3.24 135.00 137.34 2kd3 n PRO 102 Ca -0.12 0.00 0.26 0.00 -2.02 0.00 0.00 63.50 61.63 2kd3 n PRO 102 Cb 0.57 -1.43 0.72 0.00 -0.02 0.00 0.00 33.50 33.33 2kd3 n PRO 102 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 2kd3 h ASN 103 N 0.00 0.00 -4.79 2.55 2.35 -1.96 -3.37 115.58 110.36 2kd3 h ASN 103 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2kd3 h ASN 103 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2kd3 h ASN 103 CO 0.00 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.39 2kd3 n GLY 104 N -1.65 3.60 3.91 2.83 0.00 -1.20 -4.99 105.19 107.69 2kd3 n GLY 104 Ca 0.16 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 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 -3.63 1.77 -0.12 1.61 0.05 -1.26 -4.99 135.00 128.42 2kd3 s PRO 105 Ca 0.00 -0.06 -0.30 0.00 0.05 0.00 0.00 61.00 60.70 2kd3 s PRO 105 Cb 0.00 -1.97 -0.02 0.00 0.05 0.00 0.00 34.50 32.55 2kd3 s PRO 105 CO 0.00 -1.68 1.24 0.34 0.05 0.00 0.00 177.00 176.95 2kd3 s ASP 106 N -4.63 6.99 -0.14 6.66 -1.08 -1.26 -5.02 116.67 118.19 2kd3 s ASP 106 Ca 0.64 1.74 -0.03 0.00 -0.52 0.00 0.00 52.55 54.38 2kd3 s ASP 106 Cb -0.10 -2.55 -0.03 0.00 -1.46 0.00 0.00 42.92 38.79 2kd3 s ASP 106 CO 0.49 -0.69 -0.05 -0.36 0.52 0.00 0.00 175.17 175.08 2kd3 s PHE 107 N 2.95 3.00 0.00 -5.34 0.08 -1.25 -2.28 117.98 115.14 2kd3 s PHE 107 Ca 0.55 -0.27 0.00 0.00 0.12 0.00 0.00 56.93 57.34 2kd3 s PHE 107 Cb -0.23 -1.91 0.00 0.00 -0.57 0.00 0.00 43.02 40.31 2kd3 s PHE 107 CO 0.18 0.02 0.00 -2.13 -0.10 0.00 0.00 175.22 173.19 2kd3 n ARG 108 N 3.30 0.00 -3.59 0.44 0.63 -0.89 -4.86 116.66 111.68 2kd3 n ARG 108 Ca -0.18 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.65 2kd3 n ARG 108 Cb 0.53 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.38 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 -0.60 4.45 0.31 0.00 1.10 0.77 0.34 121.20 127.57 2kd3 s ILE 110 Ca -0.01 -0.17 -0.28 0.00 -0.51 0.00 0.00 60.65 59.68 2kd3 s ILE 110 Cb -0.02 -2.96 -0.13 0.00 0.15 0.00 0.00 42.46 39.50 2kd3 s ILE 110 CO -0.00 0.51 1.20 -0.81 -2.11 0.00 0.00 174.94 173.73 2kd3 n PRO 111 N 3.15 1.84 0.01 3.50 -0.04 -1.26 0.35 135.00 142.55 2kd3 n PRO 111 Ca -0.17 0.65 0.00 0.00 -0.04 0.00 0.00 63.50 63.93 2kd3 n PRO 111 Cb 0.53 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 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 1.04 0.04 -4.20 3.54 2.03 -1.26 -4.58 116.55 113.17 2kd3 n ASP 112 Ca 0.07 0.05 -0.25 0.00 0.52 0.00 0.00 54.79 55.18 2kd3 n ASP 112 Cb 0.34 0.02 -0.15 0.00 -0.72 0.00 0.00 41.12 40.61 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 -1.13 1.41 0.26 -0.67 3.52 -1.05 -5.03 118.95 116.26 2kd3 s ARG 113 Ca 0.00 -0.75 0.11 0.00 -0.13 0.00 0.00 55.73 54.96 2kd3 s ARG 113 Cb 0.00 -1.41 -0.05 0.00 -1.56 0.00 0.00 34.95 31.93 2kd3 s ARG 113 CO 0.00 0.38 -0.11 0.71 -0.81 0.00 0.00 175.30 175.47 2kd3 s TYR 114 N -0.57 2.49 0.04 5.12 1.51 -1.26 -2.52 117.35 122.16 2kd3 s TYR 114 Ca 0.07 -0.28 -0.05 0.00 -1.01 0.00 0.00 57.07 55.80 2kd3 s TYR 114 Cb -0.08 -1.10 -0.05 0.00 -0.11 0.00 0.00 41.96 40.62 2kd3 s TYR 114 CO 0.00 0.65 0.28 0.50 -1.11 0.00 0.00 175.55 175.88 2kd3 s ARG 115 N -3.50 3.57 0.10 -0.62 3.52 0.60 -4.71 118.95 117.91 2kd3 s ARG 115 Ca 0.30 -0.13 -0.26 0.00 -0.13 0.00 0.00 55.73 55.50 2kd3 s ARG 115 Cb -0.06 -3.03 -0.06 0.00 -1.56 0.00 0.00 34.95 30.24 2kd3 s ARG 115 CO 0.17 0.61 0.82 0.00 -0.81 0.00 0.00 175.30 176.08 2kd3 s ALA 116 N -1.40 3.36 -0.02 6.12 0.00 -1.26 -1.20 121.76 127.36 2kd3 s ALA 116 Ca 0.31 0.38 0.02 0.00 0.00 0.00 0.00 51.96 52.67 2kd3 s ALA 116 Cb -0.13 -3.06 0.01 0.00 0.00 0.00 0.00 23.12 19.94 2kd3 s ALA 116 CO 0.20 0.12 -0.06 -0.65 0.00 0.00 0.00 175.76 175.37 2kd3 s GLN 117 N -0.42 0.69 -0.40 0.00 -1.52 -0.74 -4.99 119.66 112.29 2kd3 s GLN 117 Ca 0.40 -0.19 0.02 0.00 -1.95 0.00 0.00 55.36 53.64 2kd3 s GLN 117 Cb -0.22 -0.68 0.12 0.00 -0.22 0.00 0.00 33.01 32.01 2kd3 s GLN 117 CO 0.26 0.05 0.18 0.50 -0.25 0.00 0.00 175.29 176.02 2kd3 s ARG 118 N 0.33 1.20 0.03 2.91 3.52 -1.26 -1.72 118.95 123.96 2kd3 s ARG 118 Ca -0.04 -1.78 0.05 0.00 -0.13 0.00 0.00 55.73 53.83 2kd3 s ARG 118 Cb -0.08 -2.42 -0.02 0.00 -1.56 0.00 0.00 34.95 30.86 2kd3 s ARG 118 CO 0.00 -1.08 -0.15 0.08 -0.81 0.00 0.00 175.30 173.34 2kd3 s VAL 119 N 0.72 1.19 -0.06 7.11 1.01 -0.99 -4.96 120.40 124.42 2kd3 s VAL 119 Ca 0.15 -0.96 -0.22 0.00 0.00 0.00 0.00 61.98 60.95 2kd3 s VAL 119 Cb -0.22 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 2kd3 s VAL 119 CO -0.08 0.08 0.63 0.00 0.00 0.00 0.00 175.10 175.73 2kd3 s GLN 120 N -1.01 4.39 -0.29 2.72 -2.07 -1.26 -1.67 119.66 120.48 2kd3 s GLN 120 Ca 0.03 0.75 -0.29 0.00 -1.82 0.00 0.00 55.36 54.03 2kd3 s GLN 120 Cb -0.08 -3.42 0.01 0.00 -1.09 0.00 0.00 33.01 28.43 2kd3 s GLN 120 CO 0.01 0.16 1.22 -0.51 -1.32 0.00 0.00 175.29 174.84 2kd3 s LEU 121 N 0.53 3.94 0.44 2.60 1.02 0.71 -4.48 118.68 123.43 2kd3 s LEU 121 Ca 0.33 1.21 -0.20 0.00 0.02 0.00 0.00 54.13 55.50 2kd3 s LEU 121 Cb -0.17 -3.54 -0.10 0.00 0.02 0.00 0.00 46.19 42.39 2kd3 s LEU 121 CO 0.16 -0.97 0.95 -0.76 0.02 0.00 0.00 176.35 175.75 2kd3 s LEU 122 N 4.00 3.90 -0.30 1.79 1.02 0.42 -2.07 118.68 127.44 2kd3 s LEU 122 Ca 0.52 1.65 -0.05 0.00 0.02 0.00 0.00 54.13 56.28 2kd3 s LEU 122 Cb -0.16 -4.51 0.03 0.00 0.02 0.00 0.00 46.19 41.57 2kd3 s LEU 122 CO 0.19 -0.39 0.05 0.00 0.02 0.00 0.00 176.35 176.22 2kd3 n PRO 124 N 4.76 1.34 -1.53 0.00 -0.04 -1.26 0.70 135.00 138.97 2kd3 n PRO 124 Ca -0.14 0.32 -0.06 0.00 -0.04 0.00 0.00 63.50 63.58 2kd3 n PRO 124 Cb 0.46 -2.84 -0.02 0.00 -0.04 0.00 0.00 33.50 31.06 2kd3 n PRO 124 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kd3 n GLY 125 N 6.20 0.58 3.17 0.55 0.00 -1.26 -5.00 105.19 109.42 2kd3 n GLY 125 Ca 0.38 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.85 -0.29 -0.20 -0.02 0.00 0.22 -5.04 107.32 99.13 2kd3 s GLY 126 Ca 0.00 1.30 -0.02 0.00 0.00 0.00 0.00 44.72 46.00 2kd3 s GLY 126 CO 0.00 2.30 2.41 0.00 0.00 0.00 0.00 173.10 177.81 2kd3 n ALA 127 N 5.38 5.23 -2.88 3.20 0.00 -1.26 -3.18 120.51 127.00 2kd3 n ALA 127 Ca -0.08 -1.44 -0.31 0.00 0.00 0.00 0.00 53.44 51.61 2kd3 n ALA 127 Cb 0.50 -1.55 -0.02 0.00 0.00 0.00 0.00 19.45 18.37 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 1.12 5.06 -1.77 0.00 0.00 -1.26 -5.04 120.51 118.62 2kd3 n ALA 128 Ca 0.27 -4.69 -0.37 0.00 0.00 0.00 0.00 53.44 48.65 2kd3 n ALA 128 Cb 0.61 -1.16 -0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 -3.67 3.62 0.04 0.00 0.04 -1.26 -4.70 135.00 129.08 2kd3 s PRO 129 Ca 0.46 1.81 0.03 0.00 0.04 0.00 0.00 61.00 63.33 2kd3 s PRO 129 Cb 0.25 -2.33 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 2kd3 s PRO 129 CO -0.13 -0.67 -0.09 1.03 0.04 0.00 0.00 177.00 177.17 2kd3 s ARG 130 N -2.80 0.61 0.08 4.56 0.52 -0.88 -4.91 118.95 116.14 2kd3 s ARG 130 Ca 0.66 -0.73 -0.18 0.00 -0.52 0.00 0.00 55.73 54.96 2kd3 s ARG 130 Cb -0.29 -0.48 -0.07 0.00 0.52 0.00 0.00 34.95 34.63 2kd3 s ARG 130 CO 0.35 0.10 0.55 -1.54 0.02 0.00 0.00 175.30 174.79 2kd3 s SER 131 N -1.39 6.99 -0.02 0.23 1.04 -1.26 0.25 113.70 119.54 2kd3 s SER 131 Ca -0.06 1.20 -0.10 0.00 0.48 0.00 0.00 55.95 57.47 2kd3 s SER 131 Cb -0.09 -2.34 0.01 0.00 0.10 0.00 0.00 66.02 63.71 2kd3 s SER 131 CO 0.01 0.24 0.22 -0.60 0.98 0.00 0.00 173.24 174.09 2kd3 s ARG 132 N -1.30 0.52 -0.01 4.02 3.52 -0.67 -4.90 118.95 120.14 2kd3 s ARG 132 Ca 0.31 -0.21 -0.02 0.00 -0.13 0.00 0.00 55.73 55.68 2kd3 s ARG 132 Cb -0.18 0.23 -0.04 0.00 -1.56 0.00 0.00 34.95 33.40 2kd3 s ARG 132 CO 0.19 -0.13 0.15 -1.59 -0.81 0.00 0.00 175.30 173.11 2kd3 s LYS 133 N -1.13 3.32 -0.15 5.12 -2.85 -1.26 -2.35 119.74 120.45 2kd3 s LYS 133 Ca -0.12 -0.37 -0.07 0.00 -1.00 0.00 0.00 55.97 54.41 2kd3 s LYS 133 Cb -0.06 -3.02 0.06 0.00 -2.06 0.00 0.00 37.83 32.75 2kd3 s LYS 133 CO 0.02 0.67 0.34 0.14 0.10 0.00 0.00 175.35 176.62 2kd3 s VAL 134 N -1.27 -0.20 -0.38 1.79 -7.23 -0.70 -4.99 120.40 107.41 2kd3 s VAL 134 Ca 0.25 0.16 -0.17 0.00 -1.81 0.00 0.00 61.98 60.41 2kd3 s VAL 134 Cb -0.12 -0.52 0.01 0.00 0.56 0.00 0.00 36.38 36.30 2kd3 s VAL 134 CO 0.17 0.06 0.46 -0.13 -0.31 0.00 0.00 175.10 175.35 2kd3 s ARG 135 N 1.74 3.38 -0.17 4.82 0.52 -1.26 -1.78 118.95 126.21 2kd3 s ARG 135 Ca -0.06 -0.46 -0.01 0.00 -0.52 0.00 0.00 55.73 54.68 2kd3 s ARG 135 Cb -0.10 -3.88 -0.01 0.00 0.52 0.00 0.00 34.95 31.48 2kd3 s ARG 135 CO -0.11 -0.73 -0.11 -0.51 0.02 0.00 0.00 175.30 173.87 2kd3 s LEU 136 N 2.26 2.71 -0.82 2.53 1.43 -0.34 -4.78 118.68 121.67 2kd3 s LEU 136 Ca 0.15 -0.39 -0.22 0.00 -1.03 0.00 0.00 54.13 52.64 2kd3 s LEU 136 Cb -0.16 -1.64 -0.18 0.00 0.03 0.00 0.00 46.19 44.24 2kd3 s LEU 136 CO 0.14 0.08 2.37 1.33 0.23 0.00 0.00 176.35 180.50 2kd3 n VAL 137 N 4.09 -0.01 0.25 -1.59 0.24 -1.26 0.22 118.33 120.28 2kd3 n VAL 137 Ca -0.18 -0.51 0.11 0.00 -2.04 0.00 0.00 64.34 61.72 2kd3 n VAL 137 Cb 0.52 -1.60 0.66 0.00 -1.47 0.00 0.00 33.84 31.95 2kd3 n VAL 137 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kd3 h ALA 138 N 12.74 1.30 -1.89 2.33 0.00 -1.79 -3.30 119.26 128.65 2kd3 h ALA 138 Ca -0.01 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.81 2kd3 h ALA 138 Cb 1.05 -0.02 -0.22 0.00 0.00 0.00 0.00 17.79 18.59 2kd3 h ALA 138 CO 1.15 0.19 0.08 -1.54 0.00 0.00 0.00 179.25 179.13 2kd3 s SER 139 N -6.28 -0.87 0.25 0.00 1.04 -1.22 -4.89 113.70 101.73 2kd3 s SER 139 Ca -0.03 1.38 0.00 0.00 0.48 0.00 0.00 55.95 57.79 2kd3 s SER 139 Cb 0.13 1.43 -0.00 0.00 0.10 0.00 0.00 66.02 67.68 2kd3 s SER 139 CO 0.61 -0.22 0.01 0.00 0.98 0.00 0.00 173.24 174.62 2kd3 s LYS 141 N -2.92 1.99 -0.60 0.00 2.20 0.16 -4.84 119.74 115.72 2kd3 s LYS 141 Ca 0.02 -2.00 -0.24 0.00 -0.36 0.00 0.00 55.97 53.39 2kd3 s LYS 141 Cb 0.00 -1.74 0.05 0.00 -1.51 0.00 0.00 37.83 34.63 2kd3 s LYS 141 CO 0.01 -0.01 0.96 0.00 -0.36 0.00 0.00 175.35 175.96 2kd3 s LYS 143 N 4.08 0.19 0.00 0.00 2.47 -0.72 -4.82 119.74 120.95 2kd3 s LYS 143 Ca 0.27 -0.00 0.05 0.00 -1.56 0.00 0.00 55.97 54.72 2kd3 s LYS 143 Cb -0.14 0.09 0.27 0.00 -1.46 0.00 0.00 37.83 36.59 2kd3 s LYS 143 CO 0.15 -0.03 0.74 0.54 0.16 0.00 0.00 175.35 176.92