#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 2.65 0.14 4.39 5.68 -1.26 -4.12 116.55 124.04 2kd3 n ASP 49 Ca 0.00 -2.24 -0.01 0.00 -0.50 0.00 0.00 54.79 52.04 2kd3 n ASP 49 Cb 0.00 -0.43 0.19 0.00 -1.14 0.00 0.00 41.12 39.75 2kd3 n ASP 49 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 2kd3 h VAL 50 N 2.01 1.41 0.00 2.12 2.07 -2.01 -2.85 116.25 119.00 2kd3 h VAL 50 Ca 0.00 -2.02 0.00 0.00 0.82 0.00 0.00 66.70 65.50 2kd3 h VAL 50 Cb 0.87 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 2kd3 h VAL 50 CO 0.13 0.58 0.00 -1.54 0.02 0.00 0.00 177.57 176.75 2kd3 n SER 51 N -3.83 0.00 0.13 0.57 3.41 -1.26 -3.36 113.62 109.29 2kd3 n SER 51 Ca -0.01 0.04 0.03 0.00 -0.26 0.00 0.00 58.87 58.66 2kd3 n SER 51 Cb 0.59 -0.34 0.39 0.00 -0.26 0.00 0.00 64.21 64.60 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 0.00 0.21 -0.30 4.33 5.08 -1.79 -2.42 114.58 119.69 2kd3 h GLU 52 Ca 0.00 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 2kd3 h GLU 52 Cb 0.31 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 2kd3 h GLU 52 CO 0.00 0.37 -0.00 2.48 -1.00 0.00 0.00 179.01 180.85 2kd3 n TYR 53 N -4.27 1.02 -1.67 4.33 4.11 -1.21 -4.76 117.16 114.70 2kd3 n TYR 53 Ca -0.01 -1.11 -0.46 0.00 -0.00 0.00 0.00 57.90 56.32 2kd3 n TYR 53 Cb 0.27 -0.38 -0.04 0.00 -0.00 0.00 0.00 39.34 39.19 2kd3 n TYR 53 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 2kd3 n SER 54 N -0.73 3.65 -1.20 9.48 2.88 -0.91 -4.36 113.62 122.43 2kd3 n SER 54 Ca 0.26 0.91 -0.01 0.00 -1.33 0.00 0.00 58.87 58.70 2kd3 n SER 54 Cb 0.95 -1.42 0.23 0.00 -0.75 0.00 0.00 64.21 63.22 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 -0.81 -0.47 -1.45 0.00 -4.01 -1.26 -4.36 116.66 104.30 2kd3 n ARG 56 Ca 0.31 -0.13 -0.17 0.00 -1.04 0.00 0.00 57.85 56.82 2kd3 n ARG 56 Cb 1.05 -1.25 -0.17 0.00 -3.04 0.00 0.00 32.46 29.05 2kd3 n ARG 56 CO 0.00 0.00 0.00 -0.85 -3.04 0.00 0.00 177.63 173.74 2kd3 n GLU 57 N 0.94 0.10 -4.36 2.89 0.28 -1.26 -4.85 120.64 114.37 2kd3 n GLU 57 Ca -0.01 -0.20 -0.34 0.00 -0.16 0.00 0.00 57.16 56.45 2kd3 n GLU 57 Cb 0.68 -1.56 -0.11 0.00 1.43 0.00 0.00 31.44 31.88 2kd3 n GLU 57 CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 2kd3 s LEU 58 N 3.12 3.37 -0.11 -1.84 0.05 -1.26 -5.10 118.68 116.91 2kd3 s LEU 58 Ca 1.06 -0.05 -0.06 0.00 0.05 0.00 0.00 54.13 55.13 2kd3 s LEU 58 Cb -0.59 -1.81 0.04 0.00 -2.05 0.00 0.00 46.19 41.79 2kd3 s LEU 58 CO 0.40 0.22 0.26 -1.00 -0.55 0.00 0.00 176.35 175.68 2kd3 s HIS 59 N 0.07 -0.34 0.07 3.48 3.76 -1.25 -4.53 115.29 116.54 2kd3 s HIS 59 Ca 0.01 0.81 0.06 0.00 -0.15 0.00 0.00 55.06 55.79 2kd3 s HIS 59 Cb -0.13 0.07 -0.03 0.00 1.11 0.00 0.00 32.58 33.60 2kd3 s HIS 59 CO 0.02 -0.23 -0.16 0.71 -0.85 0.00 0.00 174.74 174.24 2kd3 s TYR 60 N 1.14 1.35 -0.85 1.40 1.51 0.77 -4.87 117.35 117.80 2kd3 s TYR 60 Ca -0.08 -0.42 -0.09 0.00 -1.01 0.00 0.00 57.07 55.46 2kd3 s TYR 60 Cb -0.09 -0.77 0.22 0.00 -0.11 0.00 0.00 41.96 41.21 2kd3 s TYR 60 CO -0.08 0.08 0.77 -0.08 -1.11 0.00 0.00 175.55 175.13 2kd3 s THR 61 N -1.12 5.14 -0.13 -0.71 -1.32 -1.26 0.88 115.64 117.13 2kd3 s THR 61 Ca 0.01 -2.92 0.02 0.00 -1.21 0.00 0.00 61.69 57.59 2kd3 s THR 61 Cb -0.09 -4.19 0.01 0.00 -1.51 0.00 0.00 72.50 66.72 2kd3 s THR 61 CO 0.02 -1.03 -0.19 -0.60 -2.21 0.00 0.00 174.62 170.61 2kd3 s ARG 62 N -0.34 2.65 0.00 7.08 3.52 -1.26 -5.01 118.95 125.60 2kd3 s ARG 62 Ca 0.21 -0.72 0.00 0.00 -0.13 0.00 0.00 55.73 55.09 2kd3 s ARG 62 Cb -0.12 -2.19 0.00 0.00 -1.56 0.00 0.00 34.95 31.08 2kd3 s ARG 62 CO -0.08 -0.04 0.00 1.19 -0.81 0.00 0.00 175.30 175.56 2kd3 n PHE 63 N 4.15 0.00 -3.63 5.12 3.72 -1.26 -4.80 117.46 120.76 2kd3 n PHE 63 Ca -0.19 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.12 2kd3 n PHE 63 Cb 0.51 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.99 2kd3 n PHE 63 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 176.76 176.23 2kd3 s LEU 64 N -1.61 -0.40 -0.03 4.37 2.34 -1.26 -4.80 118.68 117.29 2kd3 s LEU 64 Ca 0.00 0.72 0.01 0.00 0.06 0.00 0.00 54.13 54.91 2kd3 s LEU 64 Cb 0.00 1.80 0.02 0.00 -0.56 0.00 0.00 46.19 47.45 2kd3 s LEU 64 CO 0.00 -0.17 -0.02 0.42 -1.06 0.00 0.00 176.35 175.52 2kd3 s THR 65 N -0.03 0.33 0.00 5.48 -4.23 -1.26 -1.22 115.64 114.71 2kd3 s THR 65 Ca 0.03 -0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 2kd3 s THR 65 Cb -0.04 -0.37 0.00 0.00 1.34 0.00 0.00 72.50 73.42 2kd3 s THR 65 CO -0.06 0.16 0.00 0.47 -0.54 0.00 0.00 174.62 174.66 2kd3 n ASP 66 N 3.89 0.00 -2.09 3.99 8.00 -1.07 -5.05 116.55 124.22 2kd3 n ASP 66 Ca -0.24 -0.21 -0.21 0.00 0.71 0.00 0.00 54.79 54.83 2kd3 n ASP 66 Cb 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.61 2kd3 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kd3 n GLY 67 N 0.00 -1.15 0.00 0.44 0.00 -1.26 -2.75 105.19 100.47 2kd3 n GLY 67 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.59 0.00 -3.46 1.61 -0.02 -1.26 -4.59 135.00 127.87 2kd3 n PRO 68 Ca 0.07 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.43 2kd3 n PRO 68 Cb 0.17 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 -3.32 0.45 0.58 0.00 3.52 -0.47 -2.61 118.95 117.11 2kd3 s ARG 70 Ca 0.01 0.41 -0.07 0.00 -0.13 0.00 0.00 55.73 55.95 2kd3 s ARG 70 Cb -0.01 0.22 -0.01 0.00 -1.56 0.00 0.00 34.95 33.59 2kd3 s ARG 70 CO -0.10 -0.07 0.92 0.45 -0.81 0.00 0.00 175.30 175.70 2kd3 s SER 71 N -0.01 5.85 0.00 -2.12 0.15 -0.36 0.41 113.70 117.63 2kd3 s SER 71 Ca -0.02 0.95 0.14 0.00 0.70 0.00 0.00 55.95 57.72 2kd3 s SER 71 Cb -0.03 -2.01 0.23 0.00 -1.71 0.00 0.00 66.02 62.50 2kd3 s SER 71 CO 0.01 -0.95 1.06 0.00 1.20 0.00 0.00 173.24 174.56 2kd3 n ALA 72 N -2.59 2.73 -1.77 5.45 0.00 -1.26 -4.52 120.51 118.55 2kd3 n ALA 72 Ca 0.04 -1.55 -0.39 0.00 0.00 0.00 0.00 53.44 51.54 2kd3 n ALA 72 Cb 0.56 -0.54 -0.05 0.00 0.00 0.00 0.00 19.45 19.42 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 4.53 -0.13 0.00 2.20 -1.26 -4.93 119.74 120.15 2kd3 s LYS 73 Ca 0.18 1.65 -0.37 0.00 -0.36 0.00 0.00 55.97 57.06 2kd3 s LYS 73 Cb 0.20 -2.99 -0.15 0.00 -1.51 0.00 0.00 37.83 33.38 2kd3 s LYS 73 CO -0.09 0.16 1.71 -2.30 -0.36 0.00 0.00 175.35 174.47 2kd3 n PRO 74 N 0.84 1.52 -4.05 4.03 -0.02 -1.26 -4.80 135.00 131.26 2kd3 n PRO 74 Ca 0.01 0.56 -0.11 0.00 -2.02 0.00 0.00 63.50 61.93 2kd3 n PRO 74 Cb 0.47 -2.29 -0.11 0.00 -0.02 0.00 0.00 33.50 31.55 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 2.99 0.42 -0.19 -1.45 -7.23 -1.26 -5.11 120.40 108.57 2kd3 s VAL 75 Ca 0.93 -1.12 -0.03 0.00 -1.81 0.00 0.00 61.98 59.95 2kd3 s VAL 75 Cb -0.91 -0.62 -0.01 0.00 0.56 0.00 0.00 36.38 35.39 2kd3 s VAL 75 CO 0.56 -0.47 -0.06 -0.89 -0.31 0.00 0.00 175.10 173.93 2kd3 s THR 76 N -1.66 3.42 -0.06 5.32 2.01 -1.26 -4.43 115.64 118.98 2kd3 s THR 76 Ca -0.10 -0.50 0.04 0.00 0.31 0.00 0.00 61.69 61.45 2kd3 s THR 76 Cb -0.08 -2.52 0.00 0.00 0.01 0.00 0.00 72.50 69.91 2kd3 s THR 76 CO -0.01 0.46 -0.18 -0.70 -0.69 0.00 0.00 174.62 173.51 2kd3 s GLU 77 N 1.00 2.02 -0.09 4.92 2.12 0.25 -4.75 118.70 124.17 2kd3 s GLU 77 Ca 0.00 -0.62 -0.02 0.00 0.36 0.00 0.00 54.97 54.69 2kd3 s GLU 77 Cb -0.15 -1.68 -0.03 0.00 0.26 0.00 0.00 34.13 32.54 2kd3 s GLU 77 CO 0.00 0.19 -0.02 -0.51 -0.54 0.00 0.00 175.26 174.38 2kd3 s LEU 78 N 0.23 3.43 -1.06 2.70 1.02 -1.24 0.27 118.68 124.04 2kd3 s LEU 78 Ca -0.09 0.06 -0.12 0.00 0.02 0.00 0.00 54.13 54.00 2kd3 s LEU 78 Cb -0.14 -1.78 0.24 0.00 0.02 0.00 0.00 46.19 44.53 2kd3 s LEU 78 CO 0.04 0.34 1.10 0.68 0.02 0.00 0.00 176.35 178.52 2kd3 s VAL 79 N -0.65 5.66 -0.32 -1.59 -7.23 -1.26 -4.64 120.40 110.36 2kd3 s VAL 79 Ca 0.10 -2.95 -0.01 0.00 -1.81 0.00 0.00 61.98 57.32 2kd3 s VAL 79 Cb -0.12 -4.64 0.07 0.00 0.56 0.00 0.00 36.38 32.25 2kd3 s VAL 79 CO 0.02 -1.25 0.02 0.00 -0.31 0.00 0.00 175.10 173.58 2kd3 s SER 81 N 1.30 0.46 0.00 0.00 0.01 -0.26 -3.62 113.70 111.59 2kd3 s SER 81 Ca -0.02 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 56.45 2kd3 s SER 81 Cb -0.20 1.02 0.00 0.00 0.21 0.00 0.00 66.02 67.04 2kd3 s SER 81 CO -0.03 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 173.92 2kd3 n GLY 82 N 4.93 -1.35 2.91 3.44 0.00 1.00 -4.50 105.19 111.62 2kd3 n GLY 82 Ca 0.05 -1.00 -0.15 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.95 0.28 -0.15 1.61 -0.21 -0.84 -1.11 119.66 118.30 2kd3 s GLN 83 Ca 0.00 -0.09 -0.11 0.00 0.02 0.00 0.00 55.36 55.18 2kd3 s GLN 83 Cb 0.00 -0.30 -0.05 0.00 1.00 0.00 0.00 33.01 33.67 2kd3 s GLN 83 CO 0.00 0.04 0.23 0.00 -2.12 0.00 0.00 175.29 173.44 2kd3 n GLY 85 N 2.96 2.64 3.71 0.00 0.00 -1.26 -1.65 105.19 111.60 2kd3 n GLY 85 Ca -0.15 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.45 2.15 0.00 1.61 -0.02 -1.26 -4.86 135.00 132.17 2kd3 n PRO 86 Ca 0.02 0.76 0.12 0.00 -2.02 0.00 0.00 63.50 62.38 2kd3 n PRO 86 Cb 0.44 -2.41 0.70 0.00 -0.02 0.00 0.00 33.50 32.21 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 0.16 2.37 -2.33 3.55 0.00 -1.26 -4.75 120.51 118.26 2kd3 n ALA 87 Ca 0.05 -0.15 -0.43 0.00 0.00 0.00 0.00 53.44 52.91 2kd3 n ALA 87 Cb 0.38 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 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 -2.04 4.03 -0.14 0.00 6.06 -1.26 -5.00 118.95 120.60 2kd3 s ARG 88 Ca 0.35 1.55 -0.10 0.00 -2.50 0.00 0.00 55.73 55.03 2kd3 s ARG 88 Cb 0.16 -3.88 -0.05 0.00 0.06 0.00 0.00 34.95 31.25 2kd3 s ARG 88 CO 0.28 -0.98 0.20 -0.51 -2.50 0.00 0.00 175.30 171.78 2kd3 s LEU 89 N 4.20 4.32 -0.53 -0.88 2.01 -1.26 -4.83 118.68 121.70 2kd3 s LEU 89 Ca 0.60 0.46 0.03 0.00 0.01 0.00 0.00 54.13 55.23 2kd3 s LEU 89 Cb -0.21 -2.19 0.13 0.00 0.01 0.00 0.00 46.19 43.93 2kd3 s LEU 89 CO 0.22 0.27 0.28 -0.22 1.01 0.00 0.00 176.35 177.91 2kd3 s LEU 90 N -0.34 4.52 -0.32 1.79 1.98 -1.26 -4.90 118.68 120.15 2kd3 s LEU 90 Ca 0.14 -2.93 -0.28 0.00 -2.89 0.00 0.00 54.13 48.17 2kd3 s LEU 90 Cb -0.12 -1.68 -0.03 0.00 0.66 0.00 0.00 46.19 45.01 2kd3 s LEU 90 CO 0.03 -0.27 1.99 -2.16 -1.89 0.00 0.00 176.35 174.05 2kd3 s PRO 91 N -0.17 3.13 -0.05 0.98 0.04 -1.25 -4.86 135.00 132.82 2kd3 s PRO 91 Ca 0.17 1.57 -0.06 0.00 0.04 0.00 0.00 61.00 62.72 2kd3 s PRO 91 Cb -0.24 -4.30 -0.04 0.00 0.04 0.00 0.00 34.50 29.96 2kd3 s PRO 91 CO -0.01 -2.10 0.20 1.21 0.04 0.00 0.00 177.00 176.34 2kd3 s ASN 92 N 7.40 6.44 -0.01 6.66 3.84 -1.26 -4.83 114.94 133.17 2kd3 s ASN 92 Ca 0.87 0.49 0.21 0.00 0.21 0.00 0.00 52.86 54.64 2kd3 s ASN 92 Cb -0.25 -2.07 -0.26 0.00 -0.55 0.00 0.00 41.25 38.12 2kd3 s ASN 92 CO 0.33 0.32 0.75 0.00 -2.79 0.00 0.00 177.10 175.71 2kd3 n ALA 93 N 1.46 4.08 -2.01 1.71 0.00 -1.26 -4.77 120.51 119.72 2kd3 n ALA 93 Ca -0.15 -0.56 -0.04 0.00 0.00 0.00 0.00 53.44 52.69 2kd3 n ALA 93 Cb 0.54 -0.75 -0.01 0.00 0.00 0.00 0.00 19.45 19.23 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 -1.74 0.00 0.00 0.00 -0.00 -1.26 0.22 119.36 116.57 2kd3 n ILE 94 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.76 2kd3 n ILE 94 Cb 0.40 -0.05 0.00 0.00 -0.00 0.00 0.00 39.64 40.00 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 -0.40 3.32 3.52 7.39 0.00 -1.26 -5.07 105.19 112.69 2kd3 n GLY 95 Ca 0.01 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.63 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 3.53 -0.06 1.61 0.52 0.59 -5.10 118.95 120.03 2kd3 s ARG 96 Ca 0.00 -0.52 0.02 0.00 -0.52 0.00 0.00 55.73 54.71 2kd3 s ARG 96 Cb 0.00 -2.87 0.02 0.00 0.52 0.00 0.00 34.95 32.62 2kd3 s ARG 96 CO 0.00 0.32 -0.11 0.08 0.02 0.00 0.00 175.30 175.61 2kd3 s VAL 97 N 0.16 1.01 0.00 3.52 1.01 -1.26 -4.27 120.40 120.56 2kd3 s VAL 97 Ca -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.56 2kd3 s VAL 97 Cb -0.14 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.30 2kd3 s VAL 97 CO 0.03 0.33 0.00 2.29 0.00 0.00 0.00 175.10 177.75 2kd3 n LYS 98 N 3.89 0.00 -0.83 2.72 2.85 -1.26 -4.95 118.16 120.58 2kd3 n LYS 98 Ca -0.23 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 56.93 2kd3 n LYS 98 Cb 0.51 0.00 0.19 0.00 -0.65 0.00 0.00 35.03 35.08 2kd3 n LYS 98 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 177.40 174.68 2kd3 n TRP 99 N 0.00 2.04 -0.76 5.58 4.27 -1.26 -5.01 117.44 122.29 2kd3 n TRP 99 Ca 0.00 -1.19 -0.29 0.00 -3.89 0.00 0.00 57.50 52.13 2kd3 n TRP 99 Cb 0.00 -0.65 -0.04 0.00 -1.36 0.00 0.00 31.31 29.26 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 -0.34 0.21 -3.64 -2.67 -0.00 -1.26 -4.89 117.44 104.85 2kd3 n TRP 100 Ca 0.37 0.53 -0.28 0.00 -0.00 0.00 0.00 57.50 58.12 2kd3 n TRP 100 Cb 1.24 -1.06 -0.10 0.00 -0.00 0.00 0.00 31.31 31.39 2kd3 n TRP 100 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 2kd3 n ARG 101 N 0.72 2.25 0.00 5.87 1.74 -1.26 -4.89 116.66 121.09 2kd3 n ARG 101 Ca 0.10 -4.59 0.07 0.00 -0.77 0.00 0.00 57.85 52.66 2kd3 n ARG 101 Cb 0.06 -2.28 0.42 0.00 -1.02 0.00 0.00 32.46 29.64 2kd3 n ARG 101 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2kd3 n PRO 102 N 1.39 0.44 -0.06 5.56 -0.04 -1.26 -3.22 135.00 137.81 2kd3 n PRO 102 Ca 0.25 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.76 2kd3 n PRO 102 Cb 0.38 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.75 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 0.52 -3.79 3.54 -1.24 -1.94 -3.42 115.58 109.26 2kd3 h ASN 103 Ca 0.00 -0.01 0.06 0.00 0.71 0.00 0.00 56.30 57.06 2kd3 h ASN 103 Cb 0.00 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 38.91 2kd3 h ASN 103 CO 0.00 0.37 -0.08 0.61 -1.29 0.00 0.00 177.43 177.04 2kd3 n GLY 104 N -1.47 -2.14 3.73 1.57 0.00 -1.20 -4.86 105.19 100.82 2kd3 n GLY 104 Ca 0.05 -1.45 -0.34 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.99 2.26 -0.33 1.61 0.02 -1.26 -4.95 135.00 131.35 2kd3 s PRO 105 Ca 0.00 1.74 -0.29 0.00 0.02 0.00 0.00 61.00 62.47 2kd3 s PRO 105 Cb 0.00 -1.85 0.02 0.00 0.02 0.00 0.00 34.50 32.69 2kd3 s PRO 105 CO 0.00 -1.74 1.12 0.34 -0.33 0.00 0.00 177.00 176.39 2kd3 s ASP 106 N -2.04 6.86 -0.04 2.53 2.15 -1.26 -5.02 116.67 119.84 2kd3 s ASP 106 Ca 0.74 1.01 0.06 0.00 0.43 0.00 0.00 52.55 54.79 2kd3 s ASP 106 Cb -0.29 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 39.77 2kd3 s ASP 106 CO 0.44 -0.95 -0.21 -0.36 -0.17 0.00 0.00 175.17 173.91 2kd3 s PHE 107 N 3.85 2.50 0.00 -5.34 0.40 -1.25 -4.66 117.98 113.47 2kd3 s PHE 107 Ca 0.47 -0.44 0.00 0.00 -0.60 0.00 0.00 56.93 56.37 2kd3 s PHE 107 Cb -0.12 -1.58 0.00 0.00 0.51 0.00 0.00 43.02 41.82 2kd3 s PHE 107 CO 0.18 -0.02 0.00 2.89 0.70 0.00 0.00 175.22 178.97 2kd3 n ARG 108 N 2.59 0.00 -2.81 0.44 1.85 0.75 -4.25 116.66 115.23 2kd3 n ARG 108 Ca -0.17 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.26 2kd3 n ARG 108 Cb 0.52 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.89 2kd3 n ARG 108 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2kd3 s ILE 110 N 2.45 5.20 0.57 0.00 -1.16 -0.26 0.33 121.20 128.33 2kd3 s ILE 110 Ca 0.41 -0.18 -0.21 0.00 -0.51 0.00 0.00 60.65 60.15 2kd3 s ILE 110 Cb -0.16 -3.64 -0.04 0.00 0.61 0.00 0.00 42.46 39.23 2kd3 s ILE 110 CO 0.11 0.04 1.36 -2.16 -2.81 0.00 0.00 174.94 171.48 2kd3 s PRO 111 N 1.71 3.00 0.03 3.50 0.04 -1.24 -4.12 135.00 137.93 2kd3 s PRO 111 Ca 0.06 2.22 -0.00 0.00 0.04 0.00 0.00 61.00 63.32 2kd3 s PRO 111 Cb -0.17 -2.17 -0.00 0.00 0.04 0.00 0.00 34.50 32.20 2kd3 s PRO 111 CO 0.10 -1.30 -0.00 -0.25 0.04 0.00 0.00 177.00 175.59 2kd3 n ASP 112 N -1.22 0.38 -4.39 6.66 8.00 -1.26 -4.94 116.55 119.78 2kd3 n ASP 112 Ca 0.12 0.05 -0.29 0.00 0.71 0.00 0.00 54.79 55.37 2kd3 n ASP 112 Cb 0.45 -0.12 -0.13 0.00 -0.02 0.00 0.00 41.12 41.30 2kd3 n ASP 112 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2kd3 s ARG 113 N -1.34 1.48 0.22 -1.24 3.52 -1.23 -5.09 118.95 115.27 2kd3 s ARG 113 Ca -0.00 -1.30 0.09 0.00 -0.13 0.00 0.00 55.73 54.39 2kd3 s ARG 113 Cb 0.00 -1.92 -0.05 0.00 -1.56 0.00 0.00 34.95 31.42 2kd3 s ARG 113 CO 0.00 0.46 -0.17 0.71 -0.81 0.00 0.00 175.30 175.49 2kd3 s TYR 114 N -1.02 1.93 0.11 5.12 1.51 -1.26 -3.34 117.35 120.41 2kd3 s TYR 114 Ca 0.14 -0.47 -0.06 0.00 -1.01 0.00 0.00 57.07 55.67 2kd3 s TYR 114 Cb -0.10 -0.89 -0.06 0.00 -0.11 0.00 0.00 41.96 40.81 2kd3 s TYR 114 CO 0.06 0.47 0.37 0.50 -1.11 0.00 0.00 175.55 175.84 2kd3 s ARG 115 N -3.43 3.64 0.14 -0.62 3.52 0.52 -4.70 118.95 118.02 2kd3 s ARG 115 Ca 0.24 -0.03 -0.26 0.00 -0.13 0.00 0.00 55.73 55.55 2kd3 s ARG 115 Cb -0.03 -2.91 -0.07 0.00 -1.56 0.00 0.00 34.95 30.38 2kd3 s ARG 115 CO 0.09 0.51 0.81 0.00 -0.81 0.00 0.00 175.30 175.91 2kd3 s ALA 116 N -1.56 3.39 -0.18 6.12 0.00 -1.26 -1.47 121.76 126.79 2kd3 s ALA 116 Ca 0.38 0.39 -0.04 0.00 0.00 0.00 0.00 51.96 52.69 2kd3 s ALA 116 Cb -0.13 -3.03 0.06 0.00 0.00 0.00 0.00 23.12 20.02 2kd3 s ALA 116 CO 0.22 0.19 0.06 -0.65 0.00 0.00 0.00 175.76 175.58 2kd3 s GLN 117 N -0.73 0.37 -0.35 0.00 -1.52 -0.66 -4.96 119.66 111.80 2kd3 s GLN 117 Ca 0.38 -0.27 0.02 0.00 -1.95 0.00 0.00 55.36 53.55 2kd3 s GLN 117 Cb -0.23 -1.97 0.11 0.00 -0.22 0.00 0.00 33.01 30.70 2kd3 s GLN 117 CO 0.26 -0.66 0.10 1.03 -0.25 0.00 0.00 175.29 175.77 2kd3 s ARG 118 N 1.99 1.21 0.07 2.91 0.52 -1.25 -0.17 118.95 124.23 2kd3 s ARG 118 Ca 0.01 -1.65 0.03 0.00 -0.52 0.00 0.00 55.73 53.60 2kd3 s ARG 118 Cb -0.17 -2.67 -0.03 0.00 0.52 0.00 0.00 34.95 32.60 2kd3 s ARG 118 CO -0.09 -0.99 -0.10 0.54 0.02 0.00 0.00 175.30 174.68 2kd3 s VAL 119 N 1.02 0.82 0.16 3.52 0.11 -1.05 -4.88 120.40 120.09 2kd3 s VAL 119 Ca 0.12 -1.35 -0.30 0.00 -2.93 0.00 0.00 61.98 57.52 2kd3 s VAL 119 Cb -0.19 -1.01 -0.07 0.00 -1.53 0.00 0.00 36.38 33.58 2kd3 s VAL 119 CO -0.13 -0.42 1.02 -1.10 -3.33 0.00 0.00 175.10 171.14 2kd3 s GLN 120 N -2.10 4.67 -0.04 1.54 1.11 -1.25 -2.17 119.66 121.40 2kd3 s GLN 120 Ca -0.02 1.58 -0.30 0.00 0.01 0.00 0.00 55.36 56.63 2kd3 s GLN 120 Cb -0.07 -3.32 -0.02 0.00 -1.01 0.00 0.00 33.01 28.58 2kd3 s GLN 120 CO 0.00 0.18 1.02 -0.51 0.01 0.00 0.00 175.29 176.00 2kd3 s LEU 121 N -0.29 4.31 -0.01 2.90 1.43 0.72 -4.52 118.68 123.22 2kd3 s LEU 121 Ca 0.47 1.64 -0.25 0.00 -1.03 0.00 0.00 54.13 54.97 2kd3 s LEU 121 Cb -0.26 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.35 2kd3 s LEU 121 CO 0.32 -0.38 0.78 -0.76 0.23 0.00 0.00 176.35 176.54 2kd3 s LEU 122 N 1.53 4.38 0.13 1.79 1.02 0.17 -2.40 118.68 125.30 2kd3 s LEU 122 Ca 0.51 1.38 0.07 0.00 0.02 0.00 0.00 54.13 56.12 2kd3 s LEU 122 Cb -0.21 -3.23 -0.04 0.00 0.02 0.00 0.00 46.19 42.73 2kd3 s LEU 122 CO 0.23 -0.09 -0.07 0.00 0.02 0.00 0.00 176.35 176.44 2kd3 n PRO 124 N 0.38 0.88 0.00 0.00 -0.02 -1.26 0.17 135.00 135.15 2kd3 n PRO 124 Ca -0.12 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2kd3 n PRO 124 Cb 0.54 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 2kd3 n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kd3 n GLY 125 N 6.30 0.07 2.34 -1.23 0.00 -1.26 -4.39 105.19 107.02 2kd3 n GLY 125 Ca 0.41 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.91 0.26 0.24 -0.02 0.00 0.45 -4.88 105.19 99.32 2kd3 n GLY 126 Ca 0.00 -0.25 0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.88 3.96 -2.88 4.61 0.00 -1.26 -4.59 120.51 119.48 2kd3 n ALA 127 Ca -0.18 -0.58 -0.21 0.00 0.00 0.00 0.00 53.44 52.47 2kd3 n ALA 127 Cb 0.60 -0.71 -0.02 0.00 0.00 0.00 0.00 19.45 19.32 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 -0.72 3.72 -2.00 0.00 0.00 -1.26 -5.06 120.51 115.19 2kd3 n ALA 128 Ca 0.06 -3.96 -0.41 0.00 0.00 0.00 0.00 53.44 49.14 2kd3 n ALA 128 Cb 0.37 -0.79 -0.04 0.00 0.00 0.00 0.00 19.45 18.99 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 -3.11 4.55 -0.02 0.00 0.04 -1.25 -4.23 135.00 130.98 2kd3 s PRO 129 Ca 0.42 1.82 -0.00 0.00 0.04 0.00 0.00 61.00 63.28 2kd3 s PRO 129 Cb 0.36 -3.24 0.02 0.00 0.04 0.00 0.00 34.50 31.68 2kd3 s PRO 129 CO -0.10 0.01 0.03 1.03 0.04 0.00 0.00 177.00 178.01 2kd3 s ARG 130 N -0.54 -0.01 0.08 4.56 0.52 -1.01 -4.85 118.95 117.69 2kd3 s ARG 130 Ca 0.50 0.13 -0.24 0.00 -0.52 0.00 0.00 55.73 55.60 2kd3 s ARG 130 Cb -0.32 -0.15 -0.06 0.00 0.52 0.00 0.00 34.95 34.94 2kd3 s ARG 130 CO 0.37 -0.10 0.73 0.45 0.02 0.00 0.00 175.30 176.77 2kd3 s SER 131 N 0.66 7.22 0.00 0.23 0.15 -1.26 0.26 113.70 120.96 2kd3 s SER 131 Ca -0.05 1.45 -0.01 0.00 0.70 0.00 0.00 55.95 58.04 2kd3 s SER 131 Cb -0.08 -2.45 -0.01 0.00 -1.71 0.00 0.00 66.02 61.77 2kd3 s SER 131 CO -0.02 0.11 0.01 -0.60 1.20 0.00 0.00 173.24 173.94 2kd3 s ARG 132 N -0.49 0.13 -0.03 5.44 3.52 -0.92 -4.94 118.95 121.66 2kd3 s ARG 132 Ca 0.36 -0.19 -0.03 0.00 -0.13 0.00 0.00 55.73 55.74 2kd3 s ARG 132 Cb -0.21 0.05 -0.04 0.00 -1.56 0.00 0.00 34.95 33.19 2kd3 s ARG 132 CO 0.23 -0.02 0.15 -1.59 -0.81 0.00 0.00 175.30 173.26 2kd3 s LYS 133 N -0.51 3.36 -0.14 5.12 -2.85 -1.25 -2.53 119.74 120.94 2kd3 s LYS 133 Ca -0.06 -0.31 -0.06 0.00 -1.00 0.00 0.00 55.97 54.55 2kd3 s LYS 133 Cb -0.04 -3.07 0.06 0.00 -2.06 0.00 0.00 37.83 32.73 2kd3 s LYS 133 CO -0.00 0.69 0.30 0.08 0.10 0.00 0.00 175.35 176.52 2kd3 s VAL 134 N -1.23 -0.33 -0.43 1.79 1.01 0.77 -4.95 120.40 117.03 2kd3 s VAL 134 Ca 0.24 0.22 -0.21 0.00 0.00 0.00 0.00 61.98 62.22 2kd3 s VAL 134 Cb -0.12 -0.48 0.02 0.00 0.00 0.00 0.00 36.38 35.80 2kd3 s VAL 134 CO 0.14 0.09 0.68 -0.13 0.00 0.00 0.00 175.10 175.88 2kd3 s ARG 135 N 2.09 3.38 -0.15 2.72 0.52 -1.26 -1.66 118.95 124.59 2kd3 s ARG 135 Ca -0.03 -0.23 -0.01 0.00 -0.52 0.00 0.00 55.73 54.94 2kd3 s ARG 135 Cb -0.11 -3.92 -0.01 0.00 0.52 0.00 0.00 34.95 31.42 2kd3 s ARG 135 CO -0.10 -0.98 -0.12 -0.51 0.02 0.00 0.00 175.30 173.61 2kd3 s LEU 136 N 2.91 2.71 -0.92 2.53 1.43 -0.54 -4.80 118.68 121.99 2kd3 s LEU 136 Ca 0.25 -0.37 -0.24 0.00 -1.03 0.00 0.00 54.13 52.74 2kd3 s LEU 136 Cb -0.14 -1.63 -0.20 0.00 0.03 0.00 0.00 46.19 44.26 2kd3 s LEU 136 CO 0.19 0.11 2.12 1.33 0.23 0.00 0.00 176.35 180.33 2kd3 n VAL 137 N 3.91 0.00 0.84 -1.59 0.24 -1.26 0.19 118.33 120.67 2kd3 n VAL 137 Ca -0.18 -0.20 0.09 0.00 -2.04 0.00 0.00 64.34 62.01 2kd3 n VAL 137 Cb 0.52 -1.78 0.47 0.00 -1.47 0.00 0.00 33.84 31.57 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 18.10 1.98 -3.36 2.33 0.00 -1.21 -3.64 120.51 134.71 2kd3 n ALA 138 Ca 0.41 -0.08 0.02 0.00 0.00 0.00 0.00 53.44 53.78 2kd3 n ALA 138 Cb 0.45 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 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 -2.70 -1.04 0.14 0.00 0.15 -1.25 -5.01 113.70 104.00 2kd3 s SER 139 Ca 0.16 1.02 0.04 0.00 0.70 0.00 0.00 55.95 57.86 2kd3 s SER 139 Cb 0.13 2.02 -0.04 0.00 -1.71 0.00 0.00 66.02 66.41 2kd3 s SER 139 CO 0.31 -0.20 -0.10 0.00 1.20 0.00 0.00 173.24 174.46 2kd3 s LYS 141 N -3.71 0.80 -0.67 0.00 1.02 -1.26 -4.97 119.74 110.95 2kd3 s LYS 141 Ca 0.16 -0.89 -0.26 0.00 0.02 0.00 0.00 55.97 55.00 2kd3 s LYS 141 Cb 0.03 -0.79 -0.02 0.00 -0.52 0.00 0.00 37.83 36.53 2kd3 s LYS 141 CO -0.00 0.18 1.80 0.00 -0.92 0.00 0.00 175.35 176.41 2kd3 s LYS 143 N 6.86 0.71 0.00 0.00 -0.14 -1.26 -4.80 119.74 121.11 2kd3 s LYS 143 Ca 0.64 -0.97 0.00 0.00 -1.36 0.00 0.00 55.97 54.27 2kd3 s LYS 143 Cb -0.11 -0.45 0.00 0.00 -1.68 0.00 0.00 37.83 35.58 2kd3 s LYS 143 CO 0.17 0.08 0.25 2.89 -0.76 0.00 0.00 175.35 177.98