#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kc4 s THR 2 N 0.00 2.76 0.18 0.00 -4.23 -1.26 -4.82 115.64 108.27 3kc4 s THR 2 Ca 0.00 0.27 -0.13 0.00 -1.18 0.00 0.00 61.69 60.65 3kc4 s THR 2 Cb 0.00 -2.61 0.08 0.00 1.34 0.00 0.00 72.50 71.31 3kc4 s THR 2 CO 0.00 -0.30 1.79 0.58 -0.54 0.00 0.00 174.62 176.15 3kc4 h VAL 3 N -1.18 0.96 0.00 2.29 2.07 -1.99 0.17 116.25 118.57 3kc4 h VAL 3 Ca -0.44 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 3kc4 h VAL 3 Cb 1.25 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3kc4 h VAL 3 CO 0.48 0.09 -0.01 0.78 0.02 0.00 0.00 177.57 178.94 3kc4 h ASN 4 N 0.51 0.00 1.84 0.57 4.21 -1.99 0.32 115.58 121.04 3kc4 h ASN 4 Ca 0.23 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.74 3kc4 h ASN 4 Cb 0.13 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 3kc4 h ASN 4 CO -0.16 0.01 -0.04 1.56 -1.29 0.00 0.00 177.43 177.51 3kc4 h GLN 5 N 0.00 0.00 0.03 0.81 4.20 -1.71 -3.30 115.11 115.14 3kc4 h GLN 5 Ca -0.00 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.36 3kc4 h GLN 5 Cb 0.01 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.75 3kc4 h GLN 5 CO 0.00 0.00 -1.94 1.28 -0.67 0.00 0.00 178.83 177.50 3kc4 n LEU 6 N -2.89 2.25 0.15 1.46 4.77 0.90 0.19 117.00 123.83 3kc4 n LEU 6 Ca 0.04 0.26 0.17 0.00 -0.03 0.00 0.00 56.01 56.46 3kc4 n LEU 6 Cb 0.51 -0.96 0.59 0.00 -2.33 0.00 0.00 43.42 41.22 3kc4 n LEU 6 CO 0.33 0.59 1.15 -0.37 -1.33 0.00 0.00 177.39 177.77 3kc4 h VAL 7 N -0.58 0.12 0.01 4.08 -1.51 -1.14 -0.11 116.25 117.12 3kc4 h VAL 7 Ca -0.49 0.00 -0.40 0.00 -1.23 0.00 0.00 66.70 64.58 3kc4 h VAL 7 Cb 1.65 0.42 -0.07 0.00 -2.13 0.00 0.00 31.29 31.17 3kc4 h VAL 7 CO -0.17 0.00 -2.44 -1.14 -1.23 0.00 0.00 177.57 172.60 3kc4 n ARG 8 N -3.16 0.64 -3.44 5.19 0.63 -1.23 -4.77 116.66 110.52 3kc4 n ARG 8 Ca 0.06 0.20 -0.28 0.00 -0.92 0.00 0.00 57.85 56.91 3kc4 n ARG 8 Cb 0.78 -1.53 -0.11 0.00 0.45 0.00 0.00 32.46 32.05 3kc4 n ARG 8 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3kc4 s LYS 9 N -2.52 0.87 0.39 -0.14 1.02 0.13 -5.06 119.74 114.43 3kc4 s LYS 9 Ca -0.35 -1.94 -0.24 0.00 0.02 0.00 0.00 55.97 53.46 3kc4 s LYS 9 Cb 0.10 -1.48 -0.09 0.00 -0.52 0.00 0.00 37.83 35.84 3kc4 s LYS 9 CO 0.58 -1.33 1.03 -1.25 -0.92 0.00 0.00 175.35 173.47 3kc4 s PRO 10 N 0.29 4.24 0.69 -1.68 0.04 -0.12 -4.09 135.00 134.37 3kc4 s PRO 10 Ca 0.28 1.49 -0.17 0.00 0.04 0.00 0.00 61.00 62.64 3kc4 s PRO 10 Cb -0.05 -2.59 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 3kc4 s PRO 10 CO -0.14 -0.07 0.67 0.54 0.04 0.00 0.00 177.00 178.04 3kc4 n ARG 11 N 0.04 0.42 -3.76 4.56 5.12 -1.26 -5.04 116.66 116.75 3kc4 n ARG 11 Ca 0.04 0.19 -0.13 0.00 -1.93 0.00 0.00 57.85 56.02 3kc4 n ARG 11 Cb 0.50 -1.93 -0.11 0.00 -1.16 0.00 0.00 32.46 29.75 3kc4 n ARG 11 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kc4 s ALA 12 N -1.83 -0.77 0.60 7.54 0.00 -1.26 -5.15 121.76 120.89 3kc4 s ALA 12 Ca 0.69 0.94 -0.19 0.00 0.00 0.00 0.00 51.96 53.40 3kc4 s ALA 12 Cb -0.37 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.17 3kc4 s ALA 12 CO 0.55 -0.16 1.25 1.03 0.00 0.00 0.00 175.76 178.43 3kc4 s ARG 13 N 0.39 2.90 0.33 0.00 0.52 -1.26 -5.07 118.95 116.76 3kc4 s ARG 13 Ca -0.02 1.95 -0.10 0.00 -0.52 0.00 0.00 55.73 57.04 3kc4 s ARG 13 Cb -0.04 -1.96 -0.07 0.00 0.52 0.00 0.00 34.95 33.40 3kc4 s ARG 13 CO -0.02 -1.30 0.68 -1.59 0.02 0.00 0.00 175.30 173.10 3kc4 s LYS 14 N -3.26 3.80 -0.07 3.54 -2.85 -1.26 -5.12 119.74 114.53 3kc4 s LYS 14 Ca 0.78 0.39 -0.10 0.00 -1.00 0.00 0.00 55.97 56.04 3kc4 s LYS 14 Cb -0.34 -2.49 0.02 0.00 -2.06 0.00 0.00 37.83 32.96 3kc4 s LYS 14 CO 0.37 0.11 0.24 0.08 0.10 0.00 0.00 175.35 176.26 3kc4 s VAL 15 N -2.14 0.02 0.00 1.79 1.01 -1.26 -5.17 120.40 114.65 3kc4 s VAL 15 Ca 0.50 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.28 3kc4 s VAL 15 Cb -0.10 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.86 3kc4 s VAL 15 CO 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 175.10 175.26 3kc4 n ALA 16 N 2.42 0.00 -2.70 5.51 0.00 -1.26 -5.22 120.51 119.26 3kc4 n ALA 16 Ca -0.16 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.14 3kc4 n ALA 16 Cb 0.57 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.96 3kc4 n ALA 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3kc4 s LYS 17 N 2.24 1.67 0.30 0.00 -2.85 -1.26 -5.18 119.74 114.67 3kc4 s LYS 17 Ca 0.00 -1.68 -0.11 0.00 -1.00 0.00 0.00 55.97 53.18 3kc4 s LYS 17 Cb 0.00 0.39 -0.07 0.00 -2.06 0.00 0.00 37.83 36.09 3kc4 s LYS 17 CO 0.00 -0.66 0.65 -1.12 0.10 0.00 0.00 175.35 174.32 3kc4 s SER 18 N -3.20 6.62 0.16 0.03 0.01 -1.26 -5.02 113.70 111.04 3kc4 s SER 18 Ca 0.33 1.04 -0.14 0.00 1.31 0.00 0.00 55.95 58.49 3kc4 s SER 18 Cb 0.02 -2.28 0.05 0.00 0.21 0.00 0.00 66.02 64.02 3kc4 s SER 18 CO 0.18 -0.20 1.75 0.78 0.41 0.00 0.00 173.24 176.16 3kc4 h ASN 19 N 2.07 0.67 -1.13 2.44 4.21 -1.93 -3.34 115.58 118.56 3kc4 h ASN 19 Ca -0.47 -0.12 -0.68 0.00 1.21 0.00 0.00 56.30 56.24 3kc4 h ASN 19 Cb 1.18 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 38.19 3kc4 h ASN 19 CO 0.66 0.60 1.37 1.33 -1.29 0.00 0.00 177.43 180.10 3kc4 n VAL 20 N -4.61 0.21 -2.92 2.81 0.24 -1.25 -4.76 118.33 108.05 3kc4 n VAL 20 Ca 0.02 -0.23 -0.40 0.00 -2.04 0.00 0.00 64.34 61.69 3kc4 n VAL 20 Cb 0.11 -1.60 -0.05 0.00 -1.47 0.00 0.00 33.84 30.83 3kc4 n VAL 20 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3kc4 s PRO 21 N 5.96 4.54 -0.85 7.34 0.04 -1.26 -1.21 135.00 149.54 3kc4 s PRO 21 Ca 1.08 1.15 -0.01 0.00 0.04 0.00 0.00 61.00 63.27 3kc4 s PRO 21 Cb -0.88 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 30.29 3kc4 s PRO 21 CO 0.51 0.24 0.72 0.00 0.04 0.00 0.00 177.00 178.50 3kc4 n ALA 22 N 2.90 -1.38 -0.27 8.56 0.00 -1.26 -4.75 120.51 124.31 3kc4 n ALA 22 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3kc4 n ALA 22 Cb 0.50 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.90 3kc4 n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kc4 n LEU 23 N -3.25 0.00 -4.26 0.00 4.77 -0.35 -4.90 117.00 109.01 3kc4 n LEU 23 Ca -0.19 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.65 3kc4 n LEU 23 Cb 0.61 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.60 3kc4 n LEU 23 CO 0.43 -0.39 -0.28 -1.61 -1.33 0.00 0.00 177.39 174.22 3kc4 s GLU 24 N 0.00 1.25 0.00 3.23 0.41 -1.25 -4.64 118.70 117.69 3kc4 s GLU 24 Ca 0.00 -1.65 0.00 0.00 -0.41 0.00 0.00 54.97 52.91 3kc4 s GLU 24 Cb 0.00 -0.15 0.00 0.00 -1.78 0.00 0.00 34.13 32.20 3kc4 s GLU 24 CO 0.00 -0.25 0.00 0.00 -0.49 0.00 0.00 175.26 174.52 3kc4 n ALA 25 N -0.34 0.53 -2.65 5.21 0.00 -1.26 -4.97 120.51 117.04 3kc4 n ALA 25 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 3kc4 n ALA 25 Cb 0.65 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.07 3kc4 n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kc4 h PRO 27 N 7.67 0.00 -3.65 0.00 0.13 -1.91 -3.44 132.00 130.80 3kc4 h PRO 27 Ca -0.20 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.57 3kc4 h PRO 27 Cb 1.07 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.85 3kc4 h PRO 27 CO 0.96 0.11 -0.75 -0.65 -0.23 0.00 0.00 178.00 177.44 3kc4 s GLN 28 N -4.44 0.26 -0.01 0.86 -1.52 -1.26 -4.40 119.66 109.14 3kc4 s GLN 28 Ca -0.04 0.12 0.04 0.00 -1.95 0.00 0.00 55.36 53.54 3kc4 s GLN 28 Cb 0.14 -0.52 -0.01 0.00 -0.22 0.00 0.00 33.01 32.40 3kc4 s GLN 28 CO 0.61 -0.18 -0.14 0.15 -0.25 0.00 0.00 175.29 175.48 3kc4 s LYS 29 N 1.27 1.20 -0.29 2.91 3.01 -1.26 -4.87 119.74 121.71 3kc4 s LYS 29 Ca -0.06 -0.51 -0.29 0.00 -1.01 0.00 0.00 55.97 54.10 3kc4 s LYS 29 Cb -0.13 -1.15 0.00 0.00 -1.01 0.00 0.00 37.83 35.54 3kc4 s LYS 29 CO -0.02 0.29 1.27 0.50 0.51 0.00 0.00 175.35 177.90 3kc4 s ARG 30 N -0.27 3.96 0.17 1.68 3.52 -1.26 -3.16 118.95 123.58 3kc4 s ARG 30 Ca 0.04 1.26 0.09 0.00 -0.13 0.00 0.00 55.73 56.99 3kc4 s ARG 30 Cb -0.06 -3.85 -0.04 0.00 -1.56 0.00 0.00 34.95 29.43 3kc4 s ARG 30 CO -0.00 -1.06 -0.19 0.20 -0.81 0.00 0.00 175.30 173.44 3kc4 s GLY 31 N 2.58 1.44 -0.06 8.12 0.00 -1.08 -3.32 107.32 114.99 3kc4 s GLY 31 Ca 0.55 -1.52 -0.00 0.00 0.00 0.00 0.00 44.72 43.75 3kc4 s GLY 31 CO 0.21 -1.57 -0.02 0.14 0.00 0.00 0.00 173.10 171.86 3kc4 s VAL 32 N -2.05 0.49 0.50 1.40 1.01 -0.29 -3.70 120.40 117.76 3kc4 s VAL 32 Ca 0.17 -0.01 -0.23 0.00 0.00 0.00 0.00 61.98 61.91 3kc4 s VAL 32 Cb -0.06 -0.58 -0.06 0.00 0.00 0.00 0.00 36.38 35.68 3kc4 s VAL 32 CO 0.07 0.25 1.29 0.00 0.00 0.00 0.00 175.10 176.72 3kc4 n THR 34 N -0.67 1.45 -3.67 0.00 -1.04 -1.01 -3.15 114.28 106.18 3kc4 n THR 34 Ca 0.08 0.15 -0.09 0.00 -2.04 0.00 0.00 64.05 62.16 3kc4 n THR 34 Cb 0.46 -2.31 -0.09 0.00 -1.82 0.00 0.00 70.33 66.56 3kc4 n THR 34 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 3kc4 s ARG 35 N -2.32 0.55 -0.62 -2.82 3.52 -1.25 -4.62 118.95 111.38 3kc4 s ARG 35 Ca -0.19 1.01 -0.23 0.00 -0.13 0.00 0.00 55.73 56.19 3kc4 s ARG 35 Cb 0.03 0.07 0.06 0.00 -1.56 0.00 0.00 34.95 33.55 3kc4 s ARG 35 CO 0.31 -0.16 0.97 0.08 -0.81 0.00 0.00 175.30 175.69 3kc4 s VAL 36 N 1.55 4.32 0.00 7.11 1.01 -1.26 -2.87 120.40 130.26 3kc4 s VAL 36 Ca -0.10 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.80 3kc4 s VAL 36 Cb -0.07 -4.63 0.00 0.00 0.00 0.00 0.00 36.38 31.68 3kc4 s VAL 36 CO -0.16 -1.34 0.00 0.00 0.00 0.00 0.00 175.10 173.60 3kc4 n TYR 37 N 7.68 -1.93 -3.51 5.22 0.18 -0.24 -4.92 117.16 119.63 3kc4 n TYR 37 Ca -0.01 0.00 -0.25 0.00 1.88 0.00 0.00 57.90 59.51 3kc4 n TYR 37 Cb 0.46 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.29 3kc4 n TYR 37 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 3kc4 s THR 38 N 0.56 -0.17 0.78 -3.48 2.01 -1.26 -1.53 115.64 112.56 3kc4 s THR 38 Ca 0.00 -0.58 -0.08 0.00 0.31 0.00 0.00 61.69 61.34 3kc4 s THR 38 Cb 0.00 -0.91 0.11 0.00 0.01 0.00 0.00 72.50 71.71 3kc4 s THR 38 CO 0.00 -0.58 1.09 0.28 -0.69 0.00 0.00 174.62 174.72 3kc4 s THR 39 N 2.18 2.16 -0.10 -0.82 -1.32 0.57 -4.88 115.64 113.44 3kc4 s THR 39 Ca 0.08 -0.27 0.01 0.00 -1.21 0.00 0.00 61.69 60.30 3kc4 s THR 39 Cb -0.15 -2.89 0.02 0.00 -1.51 0.00 0.00 72.50 67.96 3kc4 s THR 39 CO -0.31 0.00 -0.12 -0.89 -2.21 0.00 0.00 174.62 171.09 3kc4 s THR 40 N -3.40 1.29 0.98 5.08 2.01 -1.26 -0.47 115.64 119.87 3kc4 s THR 40 Ca 0.65 -0.51 -0.14 0.00 0.31 0.00 0.00 61.69 62.01 3kc4 s THR 40 Cb -0.08 -1.21 0.04 0.00 0.01 0.00 0.00 72.50 71.26 3kc4 s THR 40 CO 0.47 0.40 0.30 -2.65 -0.69 0.00 0.00 174.62 172.45 3kc4 n PRO 41 N 4.37 -0.48 -0.30 4.92 -0.02 -1.26 -4.87 135.00 137.36 3kc4 n PRO 41 Ca -0.18 -0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.20 3kc4 n PRO 41 Cb 0.51 -1.80 0.19 0.00 -0.02 0.00 0.00 33.50 32.37 3kc4 n PRO 41 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3kc4 h LYS 42 N -1.62 1.13 -6.99 -0.52 3.64 -1.96 -3.42 116.57 106.83 3kc4 h LYS 42 Ca -0.45 -0.07 -0.56 0.00 -1.27 0.00 0.00 60.65 58.30 3kc4 h LYS 42 Cb 1.29 -0.25 0.16 0.00 -0.41 0.00 0.00 32.23 33.02 3kc4 h LYS 42 CO 0.34 0.75 0.31 1.63 -2.27 0.00 0.00 179.45 180.22 3kc4 n LYS 43 N -4.42 0.92 0.00 1.90 4.76 -1.26 -4.93 118.16 115.13 3kc4 n LYS 43 Ca 0.11 0.37 0.08 0.00 -2.87 0.00 0.00 58.31 55.99 3kc4 n LYS 43 Cb 0.05 -2.36 0.41 0.00 -1.84 0.00 0.00 35.03 31.29 3kc4 n LYS 43 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3kc4 n PRO 44 N -1.64 0.30 -1.59 1.97 -0.02 -1.26 -4.84 135.00 127.93 3kc4 n PRO 44 Ca 0.15 0.10 -0.49 0.00 -2.02 0.00 0.00 63.50 61.23 3kc4 n PRO 44 Cb 0.48 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.41 3kc4 n PRO 44 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3kc4 n ASN 45 N -1.20 2.83 -4.39 2.55 3.02 -1.26 -4.79 115.26 112.01 3kc4 n ASN 45 Ca 0.09 0.66 -0.45 0.00 -0.03 0.00 0.00 54.58 54.85 3kc4 n ASN 45 Cb 0.10 -1.33 -0.04 0.00 -0.61 0.00 0.00 39.78 37.90 3kc4 n ASN 45 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3kc4 s SER 46 N 5.85 6.37 0.00 6.41 0.01 -1.26 -4.25 113.70 126.82 3kc4 s SER 46 Ca 1.01 -1.74 0.00 0.00 1.31 0.00 0.00 55.95 56.53 3kc4 s SER 46 Cb -0.74 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.18 3kc4 s SER 46 CO 0.50 -1.03 0.00 0.00 0.41 0.00 0.00 173.24 173.11 3kc4 n ALA 47 N 6.06 0.00 -3.99 1.44 0.00 -1.26 -5.15 120.51 117.62 3kc4 n ALA 47 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.15 3kc4 n ALA 47 Cb 0.45 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.74 3kc4 n ALA 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kc4 s LEU 48 N 0.00 2.41 -0.10 0.00 1.43 -1.26 -4.05 118.68 117.11 3kc4 s LEU 48 Ca 0.00 -0.98 -0.12 0.00 -1.03 0.00 0.00 54.13 52.00 3kc4 s LEU 48 Cb 0.00 -1.24 -0.05 0.00 0.03 0.00 0.00 46.19 44.93 3kc4 s LEU 48 CO 0.00 -0.17 0.29 -0.13 0.23 0.00 0.00 176.35 176.57 3kc4 s ARG 49 N 1.38 3.92 -0.48 1.70 0.52 0.38 -4.93 118.95 121.44 3kc4 s ARG 49 Ca -0.03 0.13 -0.24 0.00 -0.52 0.00 0.00 55.73 55.07 3kc4 s ARG 49 Cb -0.17 -3.29 0.03 0.00 0.52 0.00 0.00 34.95 32.04 3kc4 s ARG 49 CO -0.08 0.53 0.89 0.15 0.02 0.00 0.00 175.30 176.82 3kc4 s LYS 50 N -0.44 3.44 0.40 3.54 3.01 -1.26 -0.31 119.74 128.11 3kc4 s LYS 50 Ca 0.18 -0.04 0.05 0.00 -1.01 0.00 0.00 55.97 55.15 3kc4 s LYS 50 Cb -0.14 -3.97 -0.07 0.00 -1.01 0.00 0.00 37.83 32.65 3kc4 s LYS 50 CO 0.07 -1.27 0.03 0.54 0.51 0.00 0.00 175.35 175.22 3kc4 s VAL 51 N 3.67 1.64 -0.28 3.17 0.11 -0.58 -2.81 120.40 125.33 3kc4 s VAL 51 Ca 0.33 -2.00 -0.24 0.00 -2.93 0.00 0.00 61.98 57.14 3kc4 s VAL 51 Cb -0.11 -2.82 0.11 0.00 -1.53 0.00 0.00 36.38 32.03 3kc4 s VAL 51 CO 0.23 0.00 0.96 0.00 -3.33 0.00 0.00 175.10 172.96 3kc4 s ARG 53 N 0.41 0.11 0.23 0.00 0.52 -1.14 -1.82 118.95 117.25 3kc4 s ARG 53 Ca 0.01 -0.30 -0.02 0.00 -0.52 0.00 0.00 55.73 54.90 3kc4 s ARG 53 Cb -0.05 -1.77 0.01 0.00 0.52 0.00 0.00 34.95 33.66 3kc4 s ARG 53 CO -0.06 -2.79 0.34 1.33 0.02 0.00 0.00 175.30 174.14 3kc4 n VAL 54 N -4.05 0.00 -3.77 3.52 0.24 -1.06 -2.40 118.33 110.81 3kc4 n VAL 54 Ca 0.14 -1.05 -0.13 0.00 -2.04 0.00 0.00 64.34 61.27 3kc4 n VAL 54 Cb 0.59 0.68 -0.12 0.00 -1.47 0.00 0.00 33.84 33.53 3kc4 n VAL 54 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3kc4 s ARG 55 N -2.43 0.26 0.20 7.34 0.52 0.58 -4.44 118.95 120.97 3kc4 s ARG 55 Ca 0.17 0.41 0.02 0.00 -0.52 0.00 0.00 55.73 55.81 3kc4 s ARG 55 Cb -0.01 0.04 -0.05 0.00 0.52 0.00 0.00 34.95 35.45 3kc4 s ARG 55 CO 0.12 -0.08 0.03 -0.51 0.02 0.00 0.00 175.30 174.88 3kc4 s LEU 56 N 0.55 1.97 0.24 2.53 1.43 -0.91 -1.14 118.68 123.35 3kc4 s LEU 56 Ca -0.03 -1.24 -0.07 0.00 -1.03 0.00 0.00 54.13 51.76 3kc4 s LEU 56 Cb -0.05 -0.04 0.24 0.00 0.03 0.00 0.00 46.19 46.37 3kc4 s LEU 56 CO -0.03 -0.61 1.90 0.74 0.23 0.00 0.00 176.35 178.58 3kc4 h THR 57 N 2.59 1.20 -0.46 5.49 2.02 -1.88 -2.28 112.91 119.60 3kc4 h THR 57 Ca -0.37 -0.41 -0.05 0.00 0.77 0.00 0.00 66.41 66.35 3kc4 h THR 57 Cb 1.22 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 3kc4 h THR 57 CO 0.62 0.22 0.06 0.78 0.37 0.00 0.00 175.52 177.57 3kc4 h ASN 58 N 1.18 0.68 0.00 4.18 4.21 -1.95 -3.47 115.58 120.41 3kc4 h ASN 58 Ca 0.34 -0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.72 3kc4 h ASN 58 Cb -0.08 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 36.94 3kc4 h ASN 58 CO -0.09 0.71 0.00 0.61 -1.29 0.00 0.00 177.43 177.37 3kc4 n GLY 59 N -0.82 0.63 3.90 2.83 0.00 -0.86 -5.07 105.19 105.81 3kc4 n GLY 59 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 3kc4 n GLY 59 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kc4 s PHE 60 N -2.37 3.02 0.00 1.61 2.99 -1.26 -4.74 117.98 117.23 3kc4 s PHE 60 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 56.93 57.69 3kc4 s PHE 60 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 43.02 39.65 3kc4 s PHE 60 CO 0.00 -1.60 0.71 0.39 -0.00 0.00 0.00 175.22 174.71 3kc4 n GLU 61 N -3.20 0.00 -1.78 0.44 1.02 -1.26 -2.14 120.64 113.72 3kc4 n GLU 61 Ca 0.08 -0.46 -0.38 0.00 -0.02 0.00 0.00 57.16 56.37 3kc4 n GLU 61 Cb 0.60 -0.24 0.05 0.00 -0.02 0.00 0.00 31.44 31.83 3kc4 n GLU 61 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kc4 s VAL 62 N 0.00 2.09 0.41 2.62 1.01 -1.26 -2.56 120.40 122.71 3kc4 s VAL 62 Ca 0.00 0.06 -0.23 0.00 0.00 0.00 0.00 61.98 61.81 3kc4 s VAL 62 Cb 0.00 -3.03 -0.09 0.00 0.00 0.00 0.00 36.38 33.26 3kc4 s VAL 62 CO 0.00 -0.00 1.05 0.42 0.00 0.00 0.00 175.10 176.56 3kc4 s THR 63 N -1.34 3.74 -0.01 3.92 -4.23 -1.25 -4.13 115.64 112.34 3kc4 s THR 63 Ca 0.75 1.29 0.06 0.00 -1.18 0.00 0.00 61.69 62.61 3kc4 s THR 63 Cb -0.39 -3.64 -0.01 0.00 1.34 0.00 0.00 72.50 69.79 3kc4 s THR 63 CO 0.45 -0.03 -0.18 -0.44 -0.54 0.00 0.00 174.62 173.87 3kc4 s SER 64 N -1.63 2.15 0.49 3.99 0.01 -0.76 -2.90 113.70 115.06 3kc4 s SER 64 Ca 0.59 -0.34 -0.19 0.00 1.31 0.00 0.00 55.95 57.32 3kc4 s SER 64 Cb -0.21 -0.23 -0.08 0.00 0.21 0.00 0.00 66.02 65.70 3kc4 s SER 64 CO 0.26 0.22 1.01 -0.47 0.41 0.00 0.00 173.24 174.67 3kc4 s TYR 65 N -0.46 3.17 -0.24 2.43 6.04 -1.26 -1.83 117.35 125.21 3kc4 s TYR 65 Ca 0.07 1.55 -0.07 0.00 0.04 0.00 0.00 57.07 58.66 3kc4 s TYR 65 Cb -0.07 -2.94 -0.03 0.00 -1.04 0.00 0.00 41.96 37.88 3kc4 s TYR 65 CO -0.01 -0.59 0.06 0.42 -1.54 0.00 0.00 175.55 173.90 3kc4 s ILE 66 N -2.25 4.27 0.65 3.14 1.01 -1.12 -2.81 121.20 124.09 3kc4 s ILE 66 Ca 0.63 -0.19 -0.11 0.00 0.00 0.00 0.00 60.65 60.99 3kc4 s ILE 66 Cb -0.13 -2.99 -0.02 0.00 0.01 0.00 0.00 42.46 39.34 3kc4 s ILE 66 CO 0.23 0.35 1.04 -0.83 0.00 0.00 0.00 174.94 175.74 3kc4 s GLY 67 N 1.51 1.64 0.00 6.18 0.00 -1.21 -4.82 107.32 110.62 3kc4 s GLY 67 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.54 3kc4 s GLY 67 CO 0.03 0.07 0.00 0.61 0.00 0.00 0.00 173.10 173.81 3kc4 n GLY 68 N -2.82 2.54 3.34 0.20 0.00 -1.26 -4.71 105.19 102.48 3kc4 n GLY 68 Ca 0.06 -2.13 -0.33 0.00 0.00 0.00 0.00 46.02 43.62 3kc4 n GLY 68 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kc4 s GLU 69 N -2.06 3.34 -0.01 1.61 2.12 -1.26 -4.27 118.70 118.17 3kc4 s GLU 69 Ca 0.00 -0.70 0.00 0.00 0.36 0.00 0.00 54.97 54.63 3kc4 s GLU 69 Cb 0.00 -2.66 0.00 0.00 0.26 0.00 0.00 34.13 31.73 3kc4 s GLU 69 CO 0.00 0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.25 3kc4 n GLY 70 N 3.79 0.48 3.74 -1.50 0.00 -1.26 -4.37 105.19 106.07 3kc4 n GLY 70 Ca -0.18 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 3kc4 n GLY 70 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3kc4 n HIS 71 N -2.96 2.68 0.00 1.61 1.44 -1.26 -4.24 115.22 112.49 3kc4 n HIS 71 Ca -0.00 0.49 0.00 0.00 -2.01 0.00 0.00 57.72 56.20 3kc4 n HIS 71 Cb 0.02 -2.48 0.00 0.00 0.12 0.00 0.00 29.99 27.65 3kc4 n HIS 71 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 3kc4 n ASN 72 N 0.53 0.00 -3.22 4.39 5.15 -1.25 -4.68 115.26 116.18 3kc4 n ASN 72 Ca 0.03 0.00 -0.19 0.00 -0.60 0.00 0.00 54.58 53.82 3kc4 n ASN 72 Cb 0.38 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.56 3kc4 n ASN 72 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3kc4 n LEU 73 N 0.00 0.00 -4.74 1.20 4.77 -1.26 -3.83 117.00 113.14 3kc4 n LEU 73 Ca 0.00 -3.15 -0.29 0.00 -0.03 0.00 0.00 56.01 52.53 3kc4 n LEU 73 Cb 0.00 1.94 0.18 0.00 -2.33 0.00 0.00 43.42 43.21 3kc4 n LEU 73 CO 0.00 -0.57 0.70 -1.10 -1.33 0.00 0.00 177.39 175.09 3kc4 s GLN 74 N -3.24 0.23 -0.23 3.23 -0.21 -1.26 -4.71 119.66 113.47 3kc4 s GLN 74 Ca 0.38 0.10 0.14 0.00 0.02 0.00 0.00 55.36 55.99 3kc4 s GLN 74 Cb 0.01 -1.75 0.59 0.00 1.00 0.00 0.00 33.01 32.86 3kc4 s GLN 74 CO 0.27 -2.78 1.53 0.39 -2.12 0.00 0.00 175.29 172.58 3kc4 n GLU 75 N -4.13 2.99 0.00 2.91 1.02 -1.26 -4.24 120.64 117.94 3kc4 n GLU 75 Ca 0.10 -2.98 0.00 0.00 -0.02 0.00 0.00 57.16 54.25 3kc4 n GLU 75 Cb 0.59 -1.94 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 3kc4 n GLU 75 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3kc4 n HIS 76 N -0.50 0.00 -2.57 -0.32 8.25 -1.19 -3.86 115.22 115.04 3kc4 n HIS 76 Ca 0.28 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.52 3kc4 n HIS 76 Cb 1.05 0.08 0.06 0.00 1.12 0.00 0.00 29.99 32.30 3kc4 n HIS 76 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3kc4 s SER 77 N 0.00 4.91 -0.12 0.41 1.04 -1.26 -4.60 113.70 114.08 3kc4 s SER 77 Ca 0.00 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.36 3kc4 s SER 77 Cb 0.00 -0.61 -0.02 0.00 0.10 0.00 0.00 66.02 65.49 3kc4 s SER 77 CO 0.00 -1.44 -0.13 -0.69 0.98 0.00 0.00 173.24 171.96 3kc4 s VAL 78 N -2.95 3.07 0.29 5.02 1.01 -1.26 -1.65 120.40 123.93 3kc4 s VAL 78 Ca 0.61 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.99 3kc4 s VAL 78 Cb -0.09 -2.28 -0.06 0.00 0.00 0.00 0.00 36.38 33.96 3kc4 s VAL 78 CO 0.41 0.53 -0.05 0.27 0.00 0.00 0.00 175.10 176.27 3kc4 s ILE 79 N 0.21 1.65 -0.16 2.22 -0.00 -1.24 -3.54 121.20 120.33 3kc4 s ILE 79 Ca -0.08 -2.11 -0.10 0.00 -0.00 0.00 0.00 60.65 58.36 3kc4 s ILE 79 Cb -0.15 -2.52 -0.05 0.00 -0.00 0.00 0.00 42.46 39.74 3kc4 s ILE 79 CO 0.05 -0.25 0.16 -0.76 -0.00 0.00 0.00 174.94 174.14 3kc4 s LEU 80 N -3.47 4.28 -0.16 0.37 1.43 -1.26 -2.65 118.68 117.23 3kc4 s LEU 80 Ca 0.31 0.36 -0.15 0.00 -1.03 0.00 0.00 54.13 53.62 3kc4 s LEU 80 Cb 0.04 -2.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 3kc4 s LEU 80 CO 0.13 0.25 0.34 -0.63 0.23 0.00 0.00 176.35 176.67 3kc4 s ILE 81 N -0.10 5.27 0.13 -0.59 1.01 -1.19 -4.17 121.20 121.56 3kc4 s ILE 81 Ca 0.12 0.65 -0.20 0.00 0.00 0.00 0.00 60.65 61.22 3kc4 s ILE 81 Cb -0.12 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 3kc4 s ILE 81 CO 0.01 0.36 1.72 -0.09 0.00 0.00 0.00 174.94 176.94 3kc4 h ARG 82 N 6.77 0.07 0.00 2.79 2.43 -1.44 -3.35 114.38 121.65 3kc4 h ARG 82 Ca -0.40 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 3kc4 h ARG 82 Cb 1.17 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 3kc4 h ARG 82 CO 0.75 0.04 0.00 0.41 -1.51 0.00 0.00 179.97 179.67 3kc4 n GLY 83 N -1.18 0.74 0.00 2.80 0.00 -0.38 -4.72 105.19 102.45 3kc4 n GLY 83 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3kc4 n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kc4 n GLY 84 N -2.42 1.02 3.82 -0.02 0.00 -1.26 -4.34 105.19 101.99 3kc4 n GLY 84 Ca 0.00 -1.46 -0.02 0.00 0.00 0.00 0.00 46.02 44.53 3kc4 n GLY 84 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kc4 s ARG 85 N 0.58 1.13 0.50 1.61 3.03 -1.26 -1.47 118.95 123.07 3kc4 s ARG 85 Ca 0.00 -0.69 0.01 0.00 2.03 0.00 0.00 55.73 57.08 3kc4 s ARG 85 Cb 0.00 0.34 -0.00 0.00 -1.03 0.00 0.00 34.95 34.26 3kc4 s ARG 85 CO 0.00 -0.53 0.04 1.33 -1.13 0.00 0.00 175.30 175.01 3kc4 n VAL 86 N -0.61 0.00 -0.73 4.99 0.24 -1.26 -4.95 118.33 116.00 3kc4 n VAL 86 Ca -0.04 -2.47 -0.08 0.00 -2.04 0.00 0.00 64.34 59.71 3kc4 n VAL 86 Cb 0.60 0.59 0.24 0.00 -1.47 0.00 0.00 33.84 33.80 3kc4 n VAL 86 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 3kc4 n LYS 87 N -1.22 3.09 0.02 7.34 2.85 -1.26 -4.40 118.16 124.58 3kc4 n LYS 87 Ca -0.18 -2.56 -0.11 0.00 -1.05 0.00 0.00 58.31 54.41 3kc4 n LYS 87 Cb 0.66 -2.06 -0.05 0.00 -0.65 0.00 0.00 35.03 32.92 3kc4 n LYS 87 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 3kc4 h ASP 88 N 2.01 -0.12 -5.05 -5.58 3.58 -1.96 -3.46 116.42 105.83 3kc4 h ASP 88 Ca 0.28 0.03 -0.07 0.00 0.42 0.00 0.00 57.03 57.69 3kc4 h ASP 88 Cb 2.18 0.06 -0.15 0.00 1.72 0.00 0.00 39.33 43.14 3kc4 h ASP 88 CO 0.68 -0.06 -0.09 -0.76 -2.88 0.00 0.00 179.24 176.14 3kc4 s LEU 89 N -10.27 0.38 0.52 2.28 1.43 -1.26 -4.33 118.68 107.43 3kc4 s LEU 89 Ca -0.13 -0.10 0.26 0.00 -1.03 0.00 0.00 54.13 53.12 3kc4 s LEU 89 Cb 0.08 1.79 1.44 0.00 0.03 0.00 0.00 46.19 49.52 3kc4 s LEU 89 CO 0.67 -0.73 2.08 1.55 0.23 0.00 0.00 176.35 180.15 3kc4 h PRO 90 N 2.78 0.00 -0.04 1.29 0.13 -1.91 -2.87 132.00 131.38 3kc4 h PRO 90 Ca -0.32 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.69 3kc4 h PRO 90 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 3kc4 h PRO 90 CO 0.45 0.11 -0.51 0.78 -0.23 0.00 0.00 178.00 178.60 3kc4 h GLY 91 N 0.71 0.12 -7.22 1.56 0.00 -1.95 -3.39 103.07 92.90 3kc4 h GLY 91 Ca -0.00 -0.13 -0.53 0.00 0.00 0.00 0.00 47.33 46.66 3kc4 h GLY 91 CO 0.01 0.12 1.18 0.14 0.00 0.00 0.00 176.54 178.00 3kc4 s VAL 92 N -3.90 3.63 0.00 4.60 1.01 -1.08 -3.77 120.40 120.88 3kc4 s VAL 92 Ca -0.03 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.43 3kc4 s VAL 92 Cb 0.13 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 32.22 3kc4 s VAL 92 CO 0.77 -1.12 0.24 0.54 0.00 0.00 0.00 175.10 175.52 3kc4 n ARG 93 N 8.89 0.00 -4.43 2.72 1.74 -1.21 -4.55 116.66 119.82 3kc4 n ARG 93 Ca 0.14 -0.24 -0.21 0.00 -0.77 0.00 0.00 57.85 56.77 3kc4 n ARG 93 Cb 0.50 -0.24 -0.10 0.00 -1.02 0.00 0.00 32.46 31.59 3kc4 n ARG 93 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3kc4 s TYR 94 N 0.00 1.96 0.15 -1.55 2.02 -1.10 -3.92 117.35 114.91 3kc4 s TYR 94 Ca 0.00 -0.70 0.03 0.00 -0.37 0.00 0.00 57.07 56.03 3kc4 s TYR 94 Cb 0.00 -1.12 -0.05 0.00 -0.40 0.00 0.00 41.96 40.40 3kc4 s TYR 94 CO 0.00 0.28 -0.05 -1.58 -1.57 0.00 0.00 175.55 172.63 3kc4 s HIS 95 N -3.01 1.18 -0.12 2.71 2.46 -0.54 -4.10 115.29 113.87 3kc4 s HIS 95 Ca 0.30 -0.90 0.01 0.00 0.47 0.00 0.00 55.06 54.94 3kc4 s HIS 95 Cb 0.04 -0.65 0.02 0.00 -0.13 0.00 0.00 32.58 31.85 3kc4 s HIS 95 CO 0.12 -0.09 -0.16 0.95 -2.47 0.00 0.00 174.74 173.09 3kc4 s THR 96 N -3.53 1.58 -0.01 0.89 -4.23 -1.12 -1.25 115.64 107.97 3kc4 s THR 96 Ca 0.19 -0.68 -0.21 0.00 -1.18 0.00 0.00 61.69 59.81 3kc4 s THR 96 Cb 0.05 -1.44 -0.05 0.00 1.34 0.00 0.00 72.50 72.39 3kc4 s THR 96 CO 0.01 0.46 0.62 0.68 -0.54 0.00 0.00 174.62 175.85 3kc4 s VAL 97 N 1.08 4.91 0.16 2.29 -7.23 -1.26 -3.33 120.40 117.01 3kc4 s VAL 97 Ca -0.04 1.30 -0.11 0.00 -1.81 0.00 0.00 61.98 61.32 3kc4 s VAL 97 Cb -0.14 -3.96 0.03 0.00 0.56 0.00 0.00 36.38 32.87 3kc4 s VAL 97 CO -0.04 0.39 1.61 0.03 -0.31 0.00 0.00 175.10 176.79 3kc4 h ARG 98 N 5.77 0.94 0.00 4.82 3.08 -1.82 -3.41 114.38 123.77 3kc4 h ARG 98 Ca -0.45 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.30 3kc4 h ARG 98 Cb 1.20 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.17 3kc4 h ARG 98 CO 0.70 0.96 0.00 0.41 -1.07 0.00 0.00 179.97 180.98 3kc4 n GLY 99 N -0.38 1.83 0.00 0.04 0.00 -0.40 -3.32 105.19 102.96 3kc4 n GLY 99 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3kc4 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kc4 n ALA 100 N 5.18 0.00 -0.29 4.61 0.00 -1.26 -4.15 120.51 124.61 3kc4 n ALA 100 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3kc4 n ALA 100 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 3kc4 n ALA 100 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3kc4 h LEU 101 N 0.00 1.07 -7.52 0.00 4.07 -1.80 -3.33 115.31 107.80 3kc4 h LEU 101 Ca 0.00 -0.17 -0.22 0.00 0.08 0.00 0.00 57.88 57.57 3kc4 h LEU 101 Cb 0.20 -0.28 -0.29 0.00 1.08 0.00 0.00 40.66 41.37 3kc4 h LEU 101 CO 0.00 0.94 -0.59 -0.62 -1.08 0.00 0.00 178.44 177.10 3kc4 s ASP 102 N -6.31 -0.12 -0.40 -0.43 3.68 -1.23 -4.76 116.67 107.11 3kc4 s ASP 102 Ca -0.12 0.27 0.10 0.00 2.13 0.00 0.00 52.55 54.93 3kc4 s ASP 102 Cb 0.15 0.22 0.34 0.00 -1.45 0.00 0.00 42.92 42.18 3kc4 s ASP 102 CO 0.83 -0.10 0.84 0.00 0.13 0.00 0.00 175.17 176.88 3kc4 s SER 104 N -2.10 6.67 0.00 0.00 0.01 -1.26 -4.64 113.70 112.39 3kc4 s SER 104 Ca 0.35 2.73 0.00 0.00 1.31 0.00 0.00 55.95 60.34 3kc4 s SER 104 Cb 0.33 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.91 3kc4 s SER 104 CO -0.07 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 173.58 3kc4 n GLY 105 N 0.74 -1.40 3.62 3.44 0.00 -1.25 -3.97 105.19 106.37 3kc4 n GLY 105 Ca 0.00 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 3kc4 n GLY 105 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kc4 n VAL 106 N -0.45 2.32 -4.49 1.61 0.24 -1.26 -4.98 118.33 111.32 3kc4 n VAL 106 Ca 0.00 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.34 61.48 3kc4 n VAL 106 Cb 0.00 -1.20 -0.11 0.00 -1.47 0.00 0.00 33.84 31.07 3kc4 n VAL 106 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3kc4 s LYS 107 N -1.93 2.55 -1.30 7.34 -0.14 -1.26 -4.40 119.74 120.59 3kc4 s LYS 107 Ca 0.61 -0.71 -0.06 0.00 -1.36 0.00 0.00 55.97 54.45 3kc4 s LYS 107 Cb -0.58 -2.50 0.01 0.00 -1.68 0.00 0.00 37.83 33.08 3kc4 s LYS 107 CO 0.58 0.61 0.82 -0.25 -0.76 0.00 0.00 175.35 176.35 3kc4 n ASP 108 N 1.64 -5.82 -4.70 2.83 9.92 -1.26 -4.93 116.55 114.23 3kc4 n ASP 108 Ca -0.16 -0.38 -0.42 0.00 -0.53 0.00 0.00 54.79 53.30 3kc4 n ASP 108 Cb 0.53 -4.53 -0.03 0.00 -0.64 0.00 0.00 41.12 36.44 3kc4 n ASP 108 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 3kc4 s ARG 109 N -5.90 4.21 0.31 -1.24 3.52 -1.26 -4.86 118.95 113.72 3kc4 s ARG 109 Ca 0.41 2.31 0.25 0.00 -0.13 0.00 0.00 55.73 58.57 3kc4 s ARG 109 Cb -0.18 -3.49 0.71 0.00 -1.56 0.00 0.00 34.95 30.42 3kc4 s ARG 109 CO 0.50 -0.69 1.73 0.87 -0.81 0.00 0.00 175.30 176.91 3kc4 h LYS 110 N 7.93 0.00 -0.83 5.12 1.79 -1.94 -3.23 116.57 125.41 3kc4 h LYS 110 Ca -0.42 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.07 3kc4 h LYS 110 Cb 1.20 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.81 3kc4 h LYS 110 CO 0.92 0.00 0.55 0.37 -1.08 0.00 0.00 179.45 180.21 3kc4 h GLN 111 N 0.00 1.05 -2.76 3.15 4.15 -1.96 -3.39 115.11 115.34 3kc4 h GLN 111 Ca 0.00 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.33 3kc4 h GLN 111 Cb 0.78 -0.24 -0.14 0.00 0.21 0.00 0.00 27.48 28.09 3kc4 h GLN 111 CO 0.00 0.69 0.20 0.00 -1.93 0.00 0.00 178.83 177.79 3kc4 s ALA 112 N -5.91 -1.62 -0.96 3.38 0.00 -1.22 -4.98 121.76 110.45 3kc4 s ALA 112 Ca -0.11 0.68 0.16 0.00 0.00 0.00 0.00 51.96 52.69 3kc4 s ALA 112 Cb 0.18 0.66 -0.13 0.00 0.00 0.00 0.00 23.12 23.84 3kc4 s ALA 112 CO 0.79 -0.67 0.73 0.54 0.00 0.00 0.00 175.76 177.16 3kc4 n ARG 113 N -0.05 1.71 -0.18 0.00 3.00 -1.25 -4.01 116.66 115.89 3kc4 n ARG 113 Ca -0.17 -0.22 0.07 0.00 -0.01 0.00 0.00 57.85 57.51 3kc4 n ARG 113 Cb 0.63 -1.26 0.21 0.00 0.00 0.00 0.00 32.46 32.03 3kc4 n ARG 113 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3kc4 n SER 114 N -1.04 2.01 -3.77 0.55 3.41 -1.26 -3.47 113.62 110.05 3kc4 n SER 114 Ca 0.04 -1.95 -0.10 0.00 -0.26 0.00 0.00 58.87 56.60 3kc4 n SER 114 Cb 0.28 -0.23 -0.05 0.00 -0.26 0.00 0.00 64.21 63.94 3kc4 n SER 114 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3kc4 s LYS 115 N -1.54 1.12 0.00 4.33 1.02 -1.26 -4.84 119.74 118.58 3kc4 s LYS 115 Ca 0.27 -0.90 0.00 0.00 0.02 0.00 0.00 55.97 55.36 3kc4 s LYS 115 Cb 0.14 0.44 0.00 0.00 -0.52 0.00 0.00 37.83 37.89 3kc4 s LYS 115 CO 0.19 -0.43 0.00 0.66 -0.92 0.00 0.00 175.35 174.85 3kc4 n TYR 116 N -0.22 0.00 -0.90 3.18 4.02 -1.26 -2.71 117.16 119.27 3kc4 n TYR 116 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.77 3kc4 n TYR 116 Cb 0.63 -0.41 0.00 0.00 -0.02 0.00 0.00 39.34 39.54 3kc4 n TYR 116 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kc4 n GLY 117 N -2.00 0.70 3.75 2.72 0.00 -1.26 -1.28 105.19 107.83 3kc4 n GLY 117 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3kc4 n GLY 117 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kc4 s VAL 118 N -3.06 4.12 0.46 1.61 -7.23 -1.10 -4.83 120.40 110.37 3kc4 s VAL 118 Ca 0.00 2.06 -0.24 0.00 -1.81 0.00 0.00 61.98 61.99 3kc4 s VAL 118 Cb 0.00 -4.32 -0.07 0.00 0.56 0.00 0.00 36.38 32.55 3kc4 s VAL 118 CO 0.00 0.49 1.27 -0.54 -0.31 0.00 0.00 175.10 176.01 3kc4 s LYS 119 N -1.09 3.68 -0.09 4.82 -0.14 -1.26 -4.35 119.74 121.30 3kc4 s LYS 119 Ca 0.41 2.06 -0.29 0.00 -1.36 0.00 0.00 55.97 56.79 3kc4 s LYS 119 Cb -0.26 -2.51 -0.02 0.00 -1.68 0.00 0.00 37.83 33.37 3kc4 s LYS 119 CO 0.31 -0.70 0.97 0.50 -0.76 0.00 0.00 175.35 175.67 3kc4 s ARG 120 N -2.57 4.44 -0.25 1.68 3.00 -1.26 -4.17 118.95 119.81 3kc4 s ARG 120 Ca 0.63 1.33 -0.21 0.00 -1.00 0.00 0.00 55.73 56.48 3kc4 s ARG 120 Cb -0.36 -3.53 -0.02 0.00 0.00 0.00 0.00 34.95 31.05 3kc4 s ARG 120 CO 0.44 -0.25 0.66 -1.25 0.00 0.00 0.00 175.30 174.91 3kc4 s PRO 121 N 1.77 4.13 0.23 5.12 0.04 -1.26 -4.91 135.00 140.11 3kc4 s PRO 121 Ca 0.47 0.62 -0.07 0.00 0.04 0.00 0.00 61.00 62.06 3kc4 s PRO 121 Cb -0.19 -3.65 0.27 0.00 0.04 0.00 0.00 34.50 30.98 3kc4 s PRO 121 CO 0.19 -0.43 1.84 0.87 0.04 0.00 0.00 177.00 179.52 3kc4 h LYS 122 N 7.84 0.86 -0.02 4.56 1.79 -2.04 -3.54 116.57 126.02 3kc4 h LYS 122 Ca -0.26 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.16 3kc4 h LYS 122 Cb 1.12 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 3kc4 h LYS 122 CO 0.79 0.57 0.00 0.00 -1.08 0.00 0.00 179.45 179.73