#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k3j n THR 15 N 0.00 0.00 0.16 0.00 -1.04 -1.26 -4.16 114.28 107.98 1k3j n THR 15 Ca 0.00 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.08 1k3j n THR 15 Cb 0.00 0.00 0.56 0.00 -1.82 0.00 0.00 70.33 69.07 1k3j n THR 15 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1k3j h GLN 16 N 0.00 0.21 -0.59 -2.82 4.15 -2.07 -1.57 115.11 112.42 1k3j h GLN 16 Ca 0.00 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 1k3j h GLN 16 Cb 0.00 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.61 1k3j h GLN 16 CO 0.00 0.14 0.31 0.00 -1.93 0.00 0.00 178.83 177.35 1k3j h ARG 17 N 0.22 0.81 -0.91 1.69 2.47 -2.01 -2.28 114.38 114.36 1k3j h ARG 17 Ca 0.06 -0.08 0.02 0.00 -1.26 0.00 0.00 59.98 58.72 1k3j h ARG 17 Cb -0.01 -0.16 -0.05 0.00 -1.65 0.00 0.00 29.97 28.09 1k3j h ARG 17 CO -0.01 0.60 0.60 0.35 0.56 0.00 0.00 179.97 182.07 1k3j h PHE 18 N 0.82 1.13 -0.20 3.04 3.57 -1.63 -1.31 116.94 122.36 1k3j h PHE 18 Ca 0.21 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 1k3j h PHE 18 Cb 0.03 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 38.38 1k3j h PHE 18 CO 0.01 0.68 0.04 1.25 -2.23 0.00 0.00 178.31 178.06 1k3j h LEU 19 N 1.20 0.25 -0.41 0.59 5.85 -1.45 -2.04 115.31 119.29 1k3j h LEU 19 Ca 0.35 -0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.86 1k3j h LEU 19 Cb -0.07 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 1k3j h LEU 19 CO -0.09 0.27 -0.71 0.40 -0.34 0.00 0.00 178.44 177.97 1k3j h ILE 20 N 0.28 1.36 -0.84 4.05 2.04 -1.15 -3.14 117.51 120.11 1k3j h ILE 20 Ca 0.07 -2.08 0.06 0.00 1.00 0.00 0.00 64.86 63.90 1k3j h ILE 20 Cb 0.13 2.06 -0.06 0.00 -0.74 0.00 0.00 36.82 38.21 1k3j h ILE 20 CO -0.00 0.63 0.52 -0.08 0.00 0.00 0.00 178.15 179.22 1k3j h GLU 21 N 0.31 0.94 0.00 2.37 4.81 -0.67 0.49 114.58 122.82 1k3j h GLU 21 Ca -0.03 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1k3j h GLU 21 Cb 1.28 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 1k3j h GLU 21 CO 0.12 0.62 -0.15 -0.22 -0.73 0.00 0.00 179.01 178.66 1k3j h LYS 22 N 0.97 0.00 -0.36 1.92 3.64 -1.50 -2.53 116.57 118.70 1k3j h LYS 22 Ca 0.36 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.78 1k3j h LYS 22 Cb 0.14 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 1k3j h LYS 22 CO -0.16 0.15 0.13 0.35 -2.27 0.00 0.00 179.45 177.64 1k3j h PHE 23 N 0.00 0.23 0.00 1.91 3.57 -0.85 -2.41 116.94 119.38 1k3j h PHE 23 Ca -0.00 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.36 1k3j h PHE 23 Cb 0.47 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 1k3j h PHE 23 CO 0.00 0.09 -0.79 0.77 -2.23 0.00 0.00 178.31 176.15 1k3j h SER 24 N 0.28 0.00 -2.33 0.41 0.02 -1.51 -3.48 113.55 106.94 1k3j h SER 24 Ca 0.17 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.80 1k3j h SER 24 Cb 0.14 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1k3j h SER 24 CO -0.17 0.71 -0.41 1.67 -1.14 0.00 0.00 176.83 177.49 1k3j n GLN 25 N -3.24 -1.41 -2.53 3.45 -0.06 -0.91 -4.97 117.38 107.70 1k3j n GLN 25 Ca -0.00 0.76 -0.40 0.00 -2.00 0.00 0.00 57.00 55.36 1k3j n GLN 25 Cb 0.83 -5.14 -0.05 0.00 -4.06 0.00 0.00 30.24 21.82 1k3j n GLN 25 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 1k3j s GLU 26 N -4.83 4.68 -0.19 3.69 0.41 -1.26 -4.96 118.70 116.25 1k3j s GLU 26 Ca 0.01 1.73 -0.29 0.00 -0.41 0.00 0.00 54.97 56.02 1k3j s GLU 26 Cb -0.01 -3.22 -0.04 0.00 -1.78 0.00 0.00 34.13 29.08 1k3j s GLU 26 CO 0.02 0.25 1.88 -1.14 -0.49 0.00 0.00 175.26 175.78 1k3j s GLN 27 N -1.26 3.60 0.17 1.61 2.00 -1.26 -4.96 119.66 119.56 1k3j s GLN 27 Ca 0.44 1.90 -0.28 0.00 -2.00 0.00 0.00 55.36 55.43 1k3j s GLN 27 Cb -0.31 -4.18 -0.08 0.00 0.80 0.00 0.00 33.01 29.25 1k3j s GLN 27 CO 0.39 -1.55 0.87 0.42 -0.50 0.00 0.00 175.29 174.92 1k3j s ILE 28 N 6.20 4.32 0.00 -2.34 -1.09 -1.26 -4.99 121.20 122.04 1k3j s ILE 28 Ca 0.84 1.91 0.00 0.00 -2.23 0.00 0.00 60.65 61.17 1k3j s ILE 28 Cb -0.30 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.34 1k3j s ILE 28 CO 0.34 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 175.12 1k3j n GLY 29 N 1.76 -1.42 0.26 6.18 0.00 -1.26 -4.99 105.19 105.72 1k3j n GLY 29 Ca -0.02 0.94 -0.12 0.00 0.00 0.00 0.00 46.02 46.81 1k3j n GLY 29 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1k3j h GLU 30 N 0.00 0.86 0.00 1.61 3.07 -2.01 -3.41 114.58 114.70 1k3j h GLU 30 Ca 0.00 -0.47 -0.07 0.00 -0.50 0.00 0.00 59.36 58.32 1k3j h GLU 30 Cb 0.00 0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 27.87 1k3j h GLU 30 CO 0.00 1.11 -0.13 0.27 -1.40 0.00 0.00 179.01 178.86 1k3j n ASN 31 N -4.04 -0.55 -4.72 1.42 0.23 -1.26 -5.04 115.26 101.30 1k3j n ASN 31 Ca -0.03 -1.17 -0.42 0.00 -0.53 0.00 0.00 54.58 52.43 1k3j n ASN 31 Cb 0.56 0.21 -0.03 0.00 -2.08 0.00 0.00 39.78 38.44 1k3j n ASN 31 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1k3j s ILE 32 N 0.02 4.14 -0.13 1.53 -1.09 -1.26 -0.45 121.20 123.97 1k3j s ILE 32 Ca 0.02 1.64 -0.09 0.00 -2.23 0.00 0.00 60.65 59.99 1k3j s ILE 32 Cb 0.08 -4.05 -0.03 0.00 -1.58 0.00 0.00 42.46 36.88 1k3j s ILE 32 CO -0.02 0.18 -0.17 0.52 -1.23 0.00 0.00 174.94 174.22 1k3j n VAL 33 N 3.35 1.29 -3.78 2.92 0.31 0.19 -4.35 118.33 118.26 1k3j n VAL 33 Ca 0.06 0.24 -0.12 0.00 -0.01 0.00 0.00 64.34 64.51 1k3j n VAL 33 Cb 0.47 -2.31 -0.08 0.00 -0.91 0.00 0.00 33.84 31.01 1k3j n VAL 33 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1k3j s ARG 35 N -1.88 2.67 -0.23 0.00 3.52 0.31 -1.28 118.95 122.05 1k3j s ARG 35 Ca -0.10 -0.69 -0.08 0.00 -0.13 0.00 0.00 55.73 54.73 1k3j s ARG 35 Cb -0.04 -2.43 -0.03 0.00 -1.56 0.00 0.00 34.95 30.89 1k3j s ARG 35 CO 0.01 0.55 0.08 0.08 -0.81 0.00 0.00 175.30 175.21 1k3j s VAL 36 N -0.53 4.56 -0.14 7.11 1.01 -1.11 0.12 120.40 131.42 1k3j s VAL 36 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1k3j s VAL 36 Cb -0.12 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 33.17 1k3j s VAL 36 CO 0.01 0.36 -0.14 -0.63 0.00 0.00 0.00 175.10 174.71 1k3j s ILE 37 N 1.30 1.50 -0.42 2.22 1.01 0.30 -2.60 121.20 124.51 1k3j s ILE 37 Ca 0.05 -0.60 -0.29 0.00 0.00 0.00 0.00 60.65 59.82 1k3j s ILE 37 Cb -0.15 -1.42 0.02 0.00 0.01 0.00 0.00 42.46 40.93 1k3j s ILE 37 CO 0.04 0.45 1.10 0.00 0.00 0.00 0.00 174.94 176.52 1k3j h THR 39 N 6.05 0.90 0.00 0.00 1.03 -1.92 -3.23 112.91 115.74 1k3j h THR 39 Ca -0.22 -2.34 0.00 0.00 -0.01 0.00 0.00 66.41 63.84 1k3j h THR 39 Cb 1.06 2.40 0.00 0.00 -1.07 0.00 0.00 68.15 70.55 1k3j h THR 39 CO 1.09 0.52 0.00 0.35 -0.01 0.00 0.00 175.52 177.46 1k3j n THR 40 N -3.17 0.00 -2.42 0.00 -2.24 -1.26 -4.95 114.28 100.24 1k3j n THR 40 Ca -0.01 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.73 1k3j n THR 40 Cb 0.79 -0.50 0.01 0.00 -2.10 0.00 0.00 70.33 68.52 1k3j n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k3j n GLY 41 N 1.10 -1.07 0.81 3.38 0.00 -1.22 -5.01 105.19 103.17 1k3j n GLY 41 Ca 0.20 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.92 1k3j n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k3j n GLN 42 N -0.59 0.00 -5.17 1.61 6.02 -1.26 -5.12 117.38 112.87 1k3j n GLN 42 Ca 0.06 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.75 1k3j n GLN 42 Cb 0.34 -0.20 -0.16 0.00 1.02 0.00 0.00 30.24 31.24 1k3j n GLN 42 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1k3j s ILE 43 N -1.40 2.08 0.43 5.09 1.09 -1.26 -5.01 121.20 122.21 1k3j s ILE 43 Ca 0.00 -1.20 -0.24 0.00 -1.10 0.00 0.00 60.65 58.11 1k3j s ILE 43 Cb 0.00 -1.74 -0.08 0.00 -1.06 0.00 0.00 42.46 39.58 1k3j s ILE 43 CO 0.00 0.51 1.12 -2.16 -0.10 0.00 0.00 174.94 174.30 1k3j s PRO 44 N -0.82 3.95 0.14 2.79 0.04 -1.26 -4.13 135.00 135.71 1k3j s PRO 44 Ca 0.11 1.67 -0.34 0.00 0.04 0.00 0.00 61.00 62.48 1k3j s PRO 44 Cb -0.10 -2.48 -0.13 0.00 0.04 0.00 0.00 34.50 31.82 1k3j s PRO 44 CO 0.00 -0.36 1.63 -0.89 0.04 0.00 0.00 177.00 177.42 1k3j n ILE 45 N -0.27 0.08 -4.47 0.56 5.41 -1.26 -4.86 119.36 114.54 1k3j n ILE 45 Ca 0.06 -0.01 -0.23 0.00 1.00 0.00 0.00 62.75 63.56 1k3j n ILE 45 Cb 0.49 -1.63 -0.10 0.00 -0.71 0.00 0.00 39.64 37.69 1k3j n ILE 45 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1k3j s ARG 46 N 1.33 1.66 -0.18 0.38 0.52 -1.07 -5.04 118.95 116.55 1k3j s ARG 46 Ca 0.80 -1.83 0.01 0.00 -0.52 0.00 0.00 55.73 54.18 1k3j s ARG 46 Cb -0.66 -1.44 0.02 0.00 0.52 0.00 0.00 34.95 33.39 1k3j s ARG 46 CO 0.39 0.12 -0.19 0.16 0.02 0.00 0.00 175.30 175.80 1k3j s ASP 47 N -3.51 3.06 -0.04 0.23 -4.77 -1.26 -2.76 116.67 107.63 1k3j s ASP 47 Ca 0.30 -0.63 -0.15 0.00 -3.30 0.00 0.00 52.55 48.77 1k3j s ASP 47 Cb 0.02 -1.43 -0.05 0.00 -1.09 0.00 0.00 42.92 40.37 1k3j s ASP 47 CO 0.14 -0.01 0.41 -0.76 0.70 0.00 0.00 175.17 175.65 1k3j s LEU 48 N 1.32 4.42 0.07 2.11 1.43 -0.40 -5.02 118.68 122.61 1k3j s LEU 48 Ca 0.05 0.90 -0.10 0.00 -1.03 0.00 0.00 54.13 53.94 1k3j s LEU 48 Cb -0.13 -2.59 0.01 0.00 0.03 0.00 0.00 46.19 43.51 1k3j s LEU 48 CO -0.13 0.25 0.23 -0.94 0.23 0.00 0.00 176.35 175.99 1k3j s SER 49 N -0.63 0.03 -0.00 2.29 1.04 -1.26 -0.63 113.70 114.54 1k3j s SER 49 Ca 0.23 -0.49 -0.00 0.00 0.48 0.00 0.00 55.95 56.17 1k3j s SER 49 Cb -0.16 0.34 -0.00 0.00 0.10 0.00 0.00 66.02 66.30 1k3j s SER 49 CO 0.12 -0.68 0.01 0.00 0.98 0.00 0.00 173.24 173.66 1k3j s ALA 50 N -3.36 -0.01 0.02 5.32 0.00 0.41 -4.80 121.76 119.34 1k3j s ALA 50 Ca 0.01 -0.07 -0.28 0.00 0.00 0.00 0.00 51.96 51.62 1k3j s ALA 50 Cb 0.02 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 1k3j s ALA 50 CO -0.08 -0.03 0.88 -0.51 0.00 0.00 0.00 175.76 176.01 1k3j s ASP 51 N -0.26 7.29 0.12 0.00 1.01 -1.26 -4.62 116.67 118.95 1k3j s ASP 51 Ca -0.03 1.56 -0.16 0.00 0.71 0.00 0.00 52.55 54.62 1k3j s ASP 51 Cb -0.02 -2.52 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 1k3j s ASP 51 CO -0.00 -0.14 1.63 0.40 0.21 0.00 0.00 175.17 177.27 1k3j h ILE 52 N 4.51 1.21 -0.91 0.77 5.03 -1.96 -2.39 117.51 123.77 1k3j h ILE 52 Ca -0.42 -0.70 0.08 0.00 -0.12 0.00 0.00 64.86 63.70 1k3j h ILE 52 Cb 1.21 1.00 -0.06 0.00 -3.03 0.00 0.00 36.82 35.93 1k3j h ILE 52 CO 0.74 0.24 0.59 -1.28 -0.68 0.00 0.00 178.15 177.76 1k3j h SER 53 N 0.43 0.87 -0.22 1.72 0.87 -1.99 0.95 113.55 116.19 1k3j h SER 53 Ca 0.12 0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.57 1k3j h SER 53 Cb 0.27 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 1k3j h SER 53 CO -0.00 0.53 -0.29 1.56 -0.53 0.00 0.00 176.83 178.10 1k3j h GLN 54 N 0.98 0.71 -0.46 2.24 1.08 -1.93 -0.63 115.11 117.09 1k3j h GLN 54 Ca 0.41 -0.31 -0.13 0.00 -1.45 0.00 0.00 58.65 57.17 1k3j h GLN 54 Cb 0.31 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 1k3j h GLN 54 CO -0.17 0.92 -0.22 0.28 -0.95 0.00 0.00 178.83 178.69 1k3j h VAL 55 N 0.61 1.27 -0.24 -0.54 2.07 -0.57 0.12 116.25 118.97 1k3j h VAL 55 Ca 0.07 -1.38 -0.17 0.00 0.82 0.00 0.00 66.70 66.05 1k3j h VAL 55 Cb 0.80 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1k3j h VAL 55 CO 0.07 0.47 -0.52 0.25 0.02 0.00 0.00 177.57 177.86 1k3j h LEU 56 N 0.81 0.76 -0.17 2.57 5.85 -0.77 -3.21 115.31 121.15 1k3j h LEU 56 Ca 0.10 -0.39 -0.18 0.00 0.84 0.00 0.00 57.88 58.25 1k3j h LEU 56 Cb 0.80 -0.22 0.01 0.00 0.37 0.00 0.00 40.66 41.62 1k3j h LEU 56 CO 0.07 1.14 -0.60 0.11 -0.34 0.00 0.00 178.44 178.81 1k3j h LYS 57 N 0.54 0.70 -6.42 1.25 1.79 -1.03 -3.44 116.57 109.96 1k3j h LYS 57 Ca 0.02 -0.53 -0.53 0.00 -2.18 0.00 0.00 60.65 57.42 1k3j h LYS 57 Cb 1.08 0.10 0.02 0.00 -1.58 0.00 0.00 32.23 31.85 1k3j h LYS 57 CO 0.11 1.15 1.05 -2.00 -1.08 0.00 0.00 179.45 178.68 1k3j s GLU 58 N -3.84 4.18 -0.49 3.15 2.12 0.41 -4.89 118.70 119.35 1k3j s GLU 58 Ca -0.11 2.38 0.03 0.00 0.36 0.00 0.00 54.97 57.62 1k3j s GLU 58 Cb 0.08 -3.71 0.59 0.00 0.26 0.00 0.00 34.13 31.35 1k3j s GLU 58 CO 0.87 -0.79 1.88 1.17 -0.54 0.00 0.00 175.26 177.86 1k3j n LYS 59 N 6.01 2.36 -4.25 4.30 0.00 -1.26 -4.89 118.16 120.43 1k3j n LYS 59 Ca 0.17 -3.14 -0.28 0.00 0.00 0.00 0.00 58.31 55.06 1k3j n LYS 59 Cb 0.41 -2.17 -0.05 0.00 0.00 0.00 0.00 35.03 33.22 1k3j n LYS 59 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1k3j s ARG 60 N -3.44 2.23 0.09 1.64 0.52 -1.26 -5.05 118.95 113.66 1k3j s ARG 60 Ca 0.58 -2.12 -0.01 0.00 -0.52 0.00 0.00 55.73 53.66 1k3j s ARG 60 Cb 0.48 -1.87 -0.26 0.00 0.52 0.00 0.00 34.95 33.81 1k3j s ARG 60 CO 0.06 -0.42 1.17 0.66 0.02 0.00 0.00 175.30 176.80 1k3j h SER 61 N 1.11 0.31 -2.84 0.23 4.64 -1.98 -3.46 113.55 111.56 1k3j h SER 61 Ca -0.41 -0.33 -0.64 0.00 -0.47 0.00 0.00 61.79 59.94 1k3j h SER 61 Cb 1.30 -0.10 -0.06 0.00 -0.31 0.00 0.00 62.40 63.23 1k3j h SER 61 CO 0.66 1.26 -0.50 -0.51 -0.87 0.00 0.00 176.83 176.87 1k3j s ILE 62 N -2.67 5.37 0.04 0.95 1.10 -1.26 -3.80 121.20 120.93 1k3j s ILE 62 Ca -0.03 -0.20 -0.02 0.00 -0.51 0.00 0.00 60.65 59.89 1k3j s ILE 62 Cb 0.08 -3.51 -0.01 0.00 0.15 0.00 0.00 42.46 39.17 1k3j s ILE 62 CO 0.87 0.32 -0.05 0.29 -2.11 0.00 0.00 174.94 174.26 1k3j n LYS 63 N 0.92 0.07 -3.73 3.50 4.01 0.44 -4.99 118.16 118.38 1k3j n LYS 63 Ca -0.11 0.03 -0.12 0.00 -0.51 0.00 0.00 58.31 57.60 1k3j n LYS 63 Cb 0.52 -0.51 -0.11 0.00 -0.51 0.00 0.00 35.03 34.42 1k3j n LYS 63 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1k3j s LYS 64 N -1.85 0.39 -0.02 1.97 2.20 -1.15 -4.99 119.74 116.29 1k3j s LYS 64 Ca -0.04 0.58 0.04 0.00 -0.36 0.00 0.00 55.97 56.20 1k3j s LYS 64 Cb 0.01 0.11 -0.01 0.00 -1.51 0.00 0.00 37.83 36.43 1k3j s LYS 64 CO 0.06 -0.09 -0.15 0.08 -0.36 0.00 0.00 175.35 174.89 1k3j s VAL 65 N 0.62 1.18 -0.11 4.02 1.01 -1.26 0.18 120.40 126.04 1k3j s VAL 65 Ca -0.04 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.27 1k3j s VAL 65 Cb -0.05 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1k3j s VAL 65 CO -0.04 0.34 0.07 0.26 0.00 0.00 0.00 175.10 175.73 1k3j s TRP 66 N -0.27 3.39 -0.16 5.22 0.51 0.50 -4.89 118.94 123.23 1k3j s TRP 66 Ca 0.04 0.36 -0.01 0.00 -2.12 0.00 0.00 56.10 54.37 1k3j s TRP 66 Cb -0.07 -1.88 -0.01 0.00 -0.81 0.00 0.00 33.47 30.71 1k3j s TRP 66 CO -0.00 0.59 -0.12 0.99 -0.51 0.00 0.00 176.95 177.89 1k3j s THR 67 N -0.88 2.91 0.02 2.01 2.01 -1.26 0.17 115.64 120.62 1k3j s THR 67 Ca 0.14 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.47 1k3j s THR 67 Cb -0.12 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 1k3j s THR 67 CO 0.03 0.50 0.00 -0.36 -0.69 0.00 0.00 174.62 174.10 1k3j s PHE 68 N 0.84 3.07 -3.80 4.92 0.40 0.52 0.97 117.98 124.89 1k3j s PHE 68 Ca -0.04 0.06 0.00 0.00 -0.60 0.00 0.00 56.93 56.35 1k3j s PHE 68 Cb -0.15 -1.65 0.00 0.00 0.51 0.00 0.00 43.02 41.73 1k3j s PHE 68 CO 0.00 0.47 0.00 0.41 0.70 0.00 0.00 175.22 176.80 1k3j n GLY 69 N 1.21 -2.30 0.00 4.36 0.00 -0.90 0.12 105.19 107.69 1k3j n GLY 69 Ca -0.14 -1.23 0.13 0.00 0.00 0.00 0.00 46.02 44.79 1k3j n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k3j n ARG 70 N -0.62 0.58 -3.00 1.61 1.74 -0.65 -0.66 116.66 115.66 1k3j n ARG 70 Ca 0.00 0.02 -0.40 0.00 -0.77 0.00 0.00 57.85 56.70 1k3j n ARG 70 Cb 0.00 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 29.89 1k3j n ARG 70 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1k3j s ASN 71 N -2.34 7.23 0.00 0.55 2.47 -0.94 -4.67 114.94 117.24 1k3j s ASN 71 Ca 0.32 1.47 0.14 0.00 0.42 0.00 0.00 52.86 55.20 1k3j s ASN 71 Cb 0.18 -2.47 0.67 0.00 -1.45 0.00 0.00 41.25 38.18 1k3j s ASN 71 CO 0.37 0.06 1.37 -2.65 -3.72 0.00 0.00 177.10 172.54 1k3j n PRO 72 N 2.55 0.16 0.03 0.43 -0.02 -1.26 -2.20 135.00 134.69 1k3j n PRO 72 Ca -0.03 0.18 -0.21 0.00 -2.02 0.00 0.00 63.50 61.42 1k3j n PRO 72 Cb 0.50 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.34 1k3j n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1k3j h ALA 73 N 2.61 0.03 -1.37 3.55 0.00 -1.94 -3.46 119.26 118.68 1k3j h ALA 73 Ca 0.00 -0.89 -0.66 0.00 0.00 0.00 0.00 54.91 53.37 1k3j h ALA 73 Cb 0.15 0.28 0.10 0.00 0.00 0.00 0.00 17.79 18.32 1k3j h ALA 73 CO 0.00 0.60 -0.20 0.00 0.00 0.00 0.00 179.25 179.64 1k3j h ASP 75 N 1.71 0.00 -3.19 0.00 1.82 0.29 -3.37 116.42 113.68 1k3j h ASP 75 Ca -0.35 0.00 -0.53 0.00 -0.39 0.00 0.00 57.03 55.77 1k3j h ASP 75 Cb 1.40 0.00 -0.37 0.00 0.68 0.00 0.00 39.33 41.04 1k3j h ASP 75 CO 0.60 0.00 -0.80 -0.47 -1.61 0.00 0.00 179.24 176.96 1k3j s TYR 76 N -3.97 1.47 -0.50 0.28 6.14 0.11 -4.89 117.35 115.99 1k3j s TYR 76 Ca -0.04 -0.74 -0.23 0.00 0.64 0.00 0.00 57.07 56.70 1k3j s TYR 76 Cb 0.09 -1.22 0.03 0.00 0.42 0.00 0.00 41.96 41.29 1k3j s TYR 76 CO 0.30 -0.51 0.85 -1.58 0.64 0.00 0.00 175.55 175.24 1k3j s HIS 77 N 1.72 2.91 0.00 4.97 5.65 -1.26 -2.13 115.29 127.15 1k3j s HIS 77 Ca 0.05 0.06 0.00 0.00 0.25 0.00 0.00 55.06 55.42 1k3j s HIS 77 Cb -0.13 -3.86 0.00 0.00 -1.18 0.00 0.00 32.58 27.42 1k3j s HIS 77 CO -0.08 -1.15 0.00 1.28 -0.65 0.00 0.00 174.74 174.14 1k3j n LEU 78 N 7.03 2.34 0.00 8.88 4.77 0.17 -4.93 117.00 135.25 1k3j n LEU 78 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1k3j n LEU 78 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1k3j n LEU 78 CO 0.61 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 1k3j n GLY 79 N 2.60 -0.08 2.68 -0.72 0.00 -1.26 -4.78 105.19 103.62 1k3j n GLY 79 Ca 0.00 0.52 -0.05 0.00 0.00 0.00 0.00 46.02 46.50 1k3j n GLY 79 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k3j n ASN 80 N 0.00 -1.46 -4.58 1.61 0.23 -1.26 -4.65 115.26 105.15 1k3j n ASN 80 Ca 0.00 -2.21 -0.36 0.00 -0.53 0.00 0.00 54.58 51.48 1k3j n ASN 80 Cb 0.00 1.27 -0.11 0.00 -2.08 0.00 0.00 39.78 38.87 1k3j n ASN 80 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1k3j s ILE 81 N 0.09 4.84 0.46 1.53 1.01 -1.26 -4.98 121.20 122.89 1k3j s ILE 81 Ca 0.18 -0.00 0.18 0.00 0.00 0.00 0.00 60.65 61.01 1k3j s ILE 81 Cb 0.27 -3.23 0.36 0.00 0.01 0.00 0.00 42.46 39.87 1k3j s ILE 81 CO -0.14 0.38 1.95 -1.28 0.00 0.00 0.00 174.94 175.85 1k3j h SER 82 N 7.47 0.27 0.10 3.58 0.87 -2.00 0.19 113.55 124.03 1k3j h SER 82 Ca -0.37 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.20 1k3j h SER 82 Cb 1.17 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1k3j h SER 82 CO 0.64 0.15 -0.03 -0.09 -0.53 0.00 0.00 176.83 176.97 1k3j h ARG 83 N 0.29 0.00 -6.19 2.24 9.65 -1.93 -3.42 114.38 115.02 1k3j h ARG 83 Ca 0.32 0.00 -0.61 0.00 -1.10 0.00 0.00 59.98 58.59 1k3j h ARG 83 Cb 0.85 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 29.35 1k3j h ARG 83 CO -0.08 0.03 -0.59 -0.51 2.80 0.00 0.00 179.97 181.62 1k3j s LEU 84 N -7.28 3.81 0.45 3.80 1.43 0.65 -4.45 118.68 117.10 1k3j s LEU 84 Ca -0.04 -0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 1k3j s LEU 84 Cb 0.14 -2.46 0.01 0.00 0.03 0.00 0.00 46.19 43.91 1k3j s LEU 84 CO 0.53 0.13 0.66 -0.94 0.23 0.00 0.00 176.35 176.96 1k3j s SER 85 N -2.69 5.71 0.21 2.29 1.04 -1.26 -4.76 113.70 114.24 1k3j s SER 85 Ca 0.30 0.10 -0.18 0.00 0.48 0.00 0.00 55.95 56.64 1k3j s SER 85 Cb -0.11 -1.28 0.19 0.00 0.10 0.00 0.00 66.02 64.92 1k3j s SER 85 CO 0.23 -0.77 1.57 0.78 0.98 0.00 0.00 173.24 176.03 1k3j h ASN 86 N 0.41 -1.24 -3.46 7.02 4.21 -1.93 -2.68 115.58 117.91 1k3j h ASN 86 Ca -0.45 0.26 -0.64 0.00 1.21 0.00 0.00 56.30 56.69 1k3j h ASN 86 Cb 1.27 0.65 -0.41 0.00 -1.12 0.00 0.00 38.32 38.70 1k3j h ASN 86 CO 0.55 -0.30 -0.54 -0.54 -1.29 0.00 0.00 177.43 175.32 1k3j s LYS 87 N -6.00 2.43 0.15 0.81 1.02 -1.26 -1.64 119.74 115.25 1k3j s LYS 87 Ca -0.14 -3.15 -0.17 0.00 0.02 0.00 0.00 55.97 52.53 1k3j s LYS 87 Cb 0.18 -3.46 -0.00 0.00 -0.52 0.00 0.00 37.83 34.03 1k3j s LYS 87 CO 0.71 -1.24 1.80 1.25 -0.92 0.00 0.00 175.35 176.95 1k3j h HIS 88 N 5.76 0.46 -3.77 3.18 2.76 0.13 -3.35 115.15 120.32 1k3j h HIS 88 Ca 0.09 0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.18 1k3j h HIS 88 Cb 0.80 -0.16 -0.14 0.00 1.55 0.00 0.00 27.41 29.46 1k3j h HIS 88 CO 0.65 0.30 -0.36 -0.59 -1.30 0.00 0.00 177.93 176.63 1k3j s PHE 89 N -6.14 0.13 0.00 5.26 -0.71 -0.76 0.16 117.98 115.92 1k3j s PHE 89 Ca -0.13 -0.54 0.02 0.00 -1.04 0.00 0.00 56.93 55.24 1k3j s PHE 89 Cb 0.10 -0.05 -0.01 0.00 -1.21 0.00 0.00 43.02 41.86 1k3j s PHE 89 CO 0.72 -0.54 -0.06 -1.14 -1.34 0.00 0.00 175.22 172.87 1k3j s GLN 90 N -3.72 0.45 -0.15 1.99 0.74 0.43 0.20 119.66 119.60 1k3j s GLN 90 Ca 0.04 -0.28 0.00 0.00 0.05 0.00 0.00 55.36 55.17 1k3j s GLN 90 Cb 0.04 -0.40 -0.00 0.00 1.10 0.00 0.00 33.01 33.74 1k3j s GLN 90 CO -0.10 0.11 -0.15 0.42 -0.55 0.00 0.00 175.29 175.01 1k3j s ILE 91 N -0.31 2.73 0.11 -2.34 1.09 0.46 0.19 121.20 123.13 1k3j s ILE 91 Ca 0.00 -0.75 0.03 0.00 -1.10 0.00 0.00 60.65 58.83 1k3j s ILE 91 Cb -0.03 -2.15 -0.04 0.00 -1.06 0.00 0.00 42.46 39.18 1k3j s ILE 91 CO -0.00 0.52 0.13 -0.76 -0.10 0.00 0.00 174.94 174.73 1k3j s LEU 92 N 0.72 3.92 -0.14 2.97 1.02 0.10 0.19 118.68 127.47 1k3j s LEU 92 Ca -0.07 0.00 0.01 0.00 0.02 0.00 0.00 54.13 54.10 1k3j s LEU 92 Cb -0.15 -2.56 0.02 0.00 0.02 0.00 0.00 46.19 43.51 1k3j s LEU 92 CO 0.01 0.13 -0.17 -0.22 0.02 0.00 0.00 176.35 176.13 1k3j s LEU 93 N -2.70 1.82 0.00 1.79 0.20 0.13 -0.34 118.68 119.57 1k3j s LEU 93 Ca 0.31 -0.50 -0.06 0.00 0.69 0.00 0.00 54.13 54.56 1k3j s LEU 93 Cb -0.12 -1.22 0.03 0.00 -0.43 0.00 0.00 46.19 44.45 1k3j s LEU 93 CO 0.24 -0.00 0.37 0.61 -0.29 0.00 0.00 176.35 177.28 1k3j n GLY 94 N 4.42 1.69 7.00 7.98 0.00 -1.20 -0.42 105.19 124.66 1k3j n GLY 94 Ca -0.19 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1k3j n GLY 94 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1k3j n GLU 95 N -0.27 0.00 -3.55 1.61 1.02 -1.25 -3.72 120.64 114.48 1k3j n GLU 95 Ca -0.04 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.69 1k3j n GLU 95 Cb 0.30 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.64 1k3j n GLU 95 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1k3j s ASP 96 N -4.00 5.75 -0.37 1.62 2.15 -1.26 -4.53 116.67 116.03 1k3j s ASP 96 Ca 0.00 -2.07 -0.02 0.00 0.43 0.00 0.00 52.55 50.89 1k3j s ASP 96 Cb 0.00 -2.01 0.00 0.00 -0.30 0.00 0.00 42.92 40.61 1k3j s ASP 96 CO 0.00 -0.66 0.20 0.61 -0.17 0.00 0.00 175.17 175.16 1k3j n GLY 97 N 4.69 0.45 2.83 2.66 0.00 -1.26 -5.05 105.19 109.52 1k3j n GLY 97 Ca -0.05 -0.52 -0.14 0.00 0.00 0.00 0.00 46.02 45.32 1k3j n GLY 97 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k3j s ASN 98 N -2.98 0.08 0.25 1.61 -0.87 -1.24 -5.02 114.94 106.77 1k3j s ASN 98 Ca 0.10 0.01 0.09 0.00 -1.57 0.00 0.00 52.86 51.49 1k3j s ASN 98 Cb -0.04 -0.04 -0.04 0.00 -0.02 0.00 0.00 41.25 41.10 1k3j s ASN 98 CO 0.12 -0.05 0.05 -0.76 -2.57 0.00 0.00 177.10 173.89 1k3j s LEU 99 N 0.44 3.36 0.01 0.60 2.01 -1.26 -3.23 118.68 120.61 1k3j s LEU 99 Ca -0.04 -0.52 0.03 0.00 0.01 0.00 0.00 54.13 53.61 1k3j s LEU 99 Cb -0.06 -1.90 -0.01 0.00 0.01 0.00 0.00 46.19 44.23 1k3j s LEU 99 CO -0.01 0.00 -0.09 -0.76 1.01 0.00 0.00 176.35 176.50 1k3j s LEU 100 N -3.63 2.07 -0.20 1.79 1.43 0.54 -1.86 118.68 118.81 1k3j s LEU 100 Ca 0.31 -0.25 -0.03 0.00 -1.03 0.00 0.00 54.13 53.13 1k3j s LEU 100 Cb -0.07 -0.44 -0.01 0.00 0.03 0.00 0.00 46.19 45.70 1k3j s LEU 100 CO 0.21 0.06 -0.07 -0.76 0.23 0.00 0.00 176.35 176.02 1k3j s LEU 101 N -0.52 2.81 -0.23 1.79 1.43 -0.19 0.03 118.68 123.80 1k3j s LEU 101 Ca 0.02 -0.40 -0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1k3j s LEU 101 Cb -0.05 -1.70 0.03 0.00 0.03 0.00 0.00 46.19 44.50 1k3j s LEU 101 CO 0.00 0.01 -0.10 0.21 0.23 0.00 0.00 176.35 176.70 1k3j s ASN 102 N 1.29 4.08 0.25 2.29 2.47 0.50 -2.26 114.94 123.55 1k3j s ASN 102 Ca 0.03 -0.88 -0.30 0.00 0.42 0.00 0.00 52.86 52.13 1k3j s ASN 102 Cb -0.14 -1.61 -0.09 0.00 -1.45 0.00 0.00 41.25 37.96 1k3j s ASN 102 CO -0.03 -0.10 1.00 1.51 -3.72 0.00 0.00 177.10 175.76 1k3j s ASP 103 N 1.29 7.51 -0.27 -4.21 1.47 -1.25 0.16 116.67 121.37 1k3j s ASP 103 Ca 0.00 2.07 0.18 0.00 1.18 0.00 0.00 52.55 55.99 1k3j s ASP 103 Cb -0.16 -2.62 0.45 0.00 -0.34 0.00 0.00 42.92 40.25 1k3j s ASP 103 CO -0.06 0.05 1.28 2.30 0.68 0.00 0.00 175.17 179.41 1k3j n ILE 104 N 1.38 0.67 -3.80 2.11 -5.35 -0.61 0.20 119.36 113.95 1k3j n ILE 104 Ca -0.02 -1.98 -0.30 0.00 -0.27 0.00 0.00 62.75 60.18 1k3j n ILE 104 Cb 0.46 1.15 -0.04 0.00 -1.74 0.00 0.00 39.64 39.47 1k3j n ILE 104 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1k3j s SER 105 N -2.59 6.40 0.31 7.28 0.01 0.42 -4.19 113.70 121.35 1k3j s SER 105 Ca 0.19 0.38 0.08 0.00 1.31 0.00 0.00 55.95 57.91 1k3j s SER 105 Cb 0.36 -2.00 0.52 0.00 0.21 0.00 0.00 66.02 65.11 1k3j s SER 105 CO -0.08 0.07 1.73 0.74 0.41 0.00 0.00 173.24 176.11 1k3j h THR 106 N 1.89 1.31 0.00 1.44 2.02 -1.87 -3.15 112.91 114.55 1k3j h THR 106 Ca -0.46 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 65.24 1k3j h THR 106 Cb 1.17 1.70 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 1k3j h THR 106 CO 0.72 0.44 -1.79 0.59 0.37 0.00 0.00 175.52 175.85 1k3j n ASN 107 N -4.04 0.18 0.00 4.18 3.02 -1.26 -5.09 115.26 112.25 1k3j n ASN 107 Ca -0.02 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1k3j n ASN 107 Cb 0.46 1.69 0.00 0.00 -0.61 0.00 0.00 39.78 41.33 1k3j n ASN 107 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k3j n GLY 108 N 1.25 3.19 3.36 7.41 0.00 -1.19 -4.85 105.19 114.37 1k3j n GLY 108 Ca -0.03 -1.87 -0.32 0.00 0.00 0.00 0.00 46.02 43.80 1k3j n GLY 108 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k3j s THR 109 N -2.55 2.50 0.09 2.61 2.01 -1.26 -4.31 115.64 114.73 1k3j s THR 109 Ca 0.00 -0.92 0.08 0.00 0.31 0.00 0.00 61.69 61.15 1k3j s THR 109 Cb 0.00 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 1k3j s THR 109 CO 0.00 0.58 -0.15 0.26 -0.69 0.00 0.00 174.62 174.61 1k3j s TRP 110 N -0.44 2.62 -0.21 4.92 0.51 0.39 -2.72 118.94 124.00 1k3j s TRP 110 Ca 0.05 -0.22 0.01 0.00 -2.12 0.00 0.00 56.10 53.82 1k3j s TRP 110 Cb -0.12 -1.41 0.05 0.00 -0.81 0.00 0.00 33.47 31.18 1k3j s TRP 110 CO 0.01 0.37 -0.10 -1.17 -0.51 0.00 0.00 176.95 175.55 1k3j s LEU 111 N -1.96 2.44 -1.68 2.99 2.96 0.96 0.13 118.68 124.54 1k3j s LEU 111 Ca 0.18 -0.99 -0.14 0.00 -0.22 0.00 0.00 54.13 52.96 1k3j s LEU 111 Cb -0.11 -1.26 0.13 0.00 0.50 0.00 0.00 46.19 45.45 1k3j s LEU 111 CO 0.10 -0.16 0.58 0.59 -1.32 0.00 0.00 176.35 176.14 1k3j n ASN 112 N 4.66 -1.93 0.00 3.68 3.02 -0.99 0.82 115.26 124.52 1k3j n ASN 112 Ca -0.14 -1.10 0.00 0.00 -0.03 0.00 0.00 54.58 53.31 1k3j n ASN 112 Cb 0.46 -2.40 0.00 0.00 -0.61 0.00 0.00 39.78 37.23 1k3j n ASN 112 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k3j n GLY 113 N -1.58 1.82 3.46 7.41 0.00 -1.26 -5.01 105.19 110.03 1k3j n GLY 113 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 1k3j n GLY 113 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k3j s GLN 114 N -0.39 3.58 -0.18 1.61 1.11 0.24 -5.06 119.66 120.57 1k3j s GLN 114 Ca 0.00 -0.54 -0.29 0.00 0.01 0.00 0.00 55.36 54.53 1k3j s GLN 114 Cb 0.00 -3.43 -0.02 0.00 -1.01 0.00 0.00 33.01 28.55 1k3j s GLN 114 CO 0.00 -0.26 1.39 0.21 0.01 0.00 0.00 175.29 176.64 1k3j s LYS 115 N 1.63 4.09 0.54 2.91 2.47 -1.26 -0.03 119.74 130.09 1k3j s LYS 115 Ca 0.06 1.67 -0.03 0.00 -1.56 0.00 0.00 55.97 56.11 1k3j s LYS 115 Cb -0.16 -3.87 0.01 0.00 -1.46 0.00 0.00 37.83 32.35 1k3j s LYS 115 CO 0.05 -0.90 0.80 0.14 0.16 0.00 0.00 175.35 175.60 1k3j s VAL 116 N 4.03 3.60 0.04 4.02 -7.23 -1.10 -4.95 120.40 118.81 1k3j s VAL 116 Ca 0.61 -0.28 -0.31 0.00 -1.81 0.00 0.00 61.98 60.19 1k3j s VAL 116 Cb -0.23 -3.39 -0.06 0.00 0.56 0.00 0.00 36.38 33.26 1k3j s VAL 116 CO 0.21 -0.34 1.41 -0.70 -0.31 0.00 0.00 175.10 175.37 1k3j s GLU 117 N -4.81 4.29 1.02 4.82 2.12 -1.26 -4.68 118.70 120.20 1k3j s GLU 117 Ca 0.52 2.02 -0.14 0.00 0.36 0.00 0.00 54.97 57.73 1k3j s GLU 117 Cb -0.10 -3.47 0.09 0.00 0.26 0.00 0.00 34.13 30.91 1k3j s GLU 117 CO 0.42 -0.53 0.43 1.17 -0.54 0.00 0.00 175.26 176.21 1k3j n LYS 118 N 4.89 -0.88 -3.06 4.30 4.81 -1.26 -2.34 118.16 124.62 1k3j n LYS 118 Ca 0.13 -0.22 -0.20 0.00 -0.87 0.00 0.00 58.31 57.14 1k3j n LYS 118 Cb 0.43 -1.90 -0.04 0.00 0.02 0.00 0.00 35.03 33.54 1k3j n LYS 118 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1k3j n ASN 119 N -2.08 -1.08 -4.57 3.14 3.02 0.53 -4.85 115.26 109.37 1k3j n ASN 119 Ca 0.05 -0.49 -0.32 0.00 -0.03 0.00 0.00 54.58 53.80 1k3j n ASN 119 Cb 0.56 -0.97 -0.11 0.00 -0.61 0.00 0.00 39.78 38.65 1k3j n ASN 119 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1k3j s SER 120 N -2.18 4.48 -0.14 6.41 1.04 -0.99 -4.91 113.70 117.41 1k3j s SER 120 Ca 0.40 -0.20 -0.19 0.00 0.48 0.00 0.00 55.95 56.44 1k3j s SER 120 Cb -0.23 -0.99 -0.04 0.00 0.10 0.00 0.00 66.02 64.86 1k3j s SER 120 CO 0.49 0.27 0.50 0.20 0.98 0.00 0.00 173.24 175.68 1k3j s ASN 121 N -1.45 6.66 0.07 7.02 -0.87 -1.26 -3.84 114.94 121.26 1k3j s ASN 121 Ca 0.17 0.79 0.06 0.00 -1.57 0.00 0.00 52.86 52.31 1k3j s ASN 121 Cb -0.11 -2.29 -0.03 0.00 -0.02 0.00 0.00 41.25 38.80 1k3j s ASN 121 CO 0.07 -0.06 -0.16 -1.10 -2.57 0.00 0.00 177.10 173.28 1k3j s GLN 122 N 0.95 0.93 0.04 -0.60 -1.52 -0.96 -4.92 119.66 113.59 1k3j s GLN 122 Ca 0.26 -0.95 -0.31 0.00 -1.95 0.00 0.00 55.36 52.42 1k3j s GLN 122 Cb -0.15 -0.99 -0.06 0.00 -0.22 0.00 0.00 33.01 31.59 1k3j s GLN 122 CO 0.10 0.23 1.27 -1.17 -0.25 0.00 0.00 175.29 175.48 1k3j s LEU 123 N -1.60 4.35 0.80 2.90 1.98 -1.26 -1.02 118.68 124.82 1k3j s LEU 123 Ca 0.01 2.06 -0.14 0.00 -2.89 0.00 0.00 54.13 53.17 1k3j s LEU 123 Cb -0.09 -3.57 0.06 0.00 0.66 0.00 0.00 46.19 43.24 1k3j s LEU 123 CO 0.02 -0.56 1.03 -0.11 -1.89 0.00 0.00 176.35 174.84 1k3j n LEU 124 N 4.38 3.51 -4.32 -0.68 7.94 -0.78 -4.87 117.00 122.18 1k3j n LEU 124 Ca 0.10 0.57 -0.23 0.00 -1.11 0.00 0.00 56.01 55.35 1k3j n LEU 124 Cb 0.45 -1.44 -0.12 0.00 0.53 0.00 0.00 43.42 42.84 1k3j n LEU 124 CO 0.57 -2.06 -0.50 -0.44 -1.11 0.00 0.00 177.39 173.84 1k3j s SER 125 N -1.99 2.68 -0.05 1.96 0.01 -1.26 -4.95 113.70 110.10 1k3j s SER 125 Ca 0.71 -0.79 -0.30 0.00 1.31 0.00 0.00 55.95 56.88 1k3j s SER 125 Cb -0.30 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 65.73 1k3j s SER 125 CO 0.53 0.01 1.38 -1.10 0.41 0.00 0.00 173.24 174.47 1k3j s GLN 126 N -2.44 4.27 -1.93 12.44 -1.52 -1.26 -2.57 119.66 126.64 1k3j s GLN 126 Ca 0.12 1.89 0.00 0.00 -1.95 0.00 0.00 55.36 55.42 1k3j s GLN 126 Cb -0.08 -3.67 0.00 0.00 -0.22 0.00 0.00 33.01 29.04 1k3j s GLN 126 CO 0.06 -0.62 0.00 0.41 -0.25 0.00 0.00 175.29 174.89 1k3j n GLY 127 N 3.66 1.24 3.28 3.09 0.00 -0.99 -4.93 105.19 110.55 1k3j n GLY 127 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1k3j n GLY 127 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1k3j n ASP 128 N -1.38 -2.35 -3.78 1.61 2.03 -0.98 -4.45 116.55 107.25 1k3j n ASP 128 Ca -0.20 -0.14 -0.13 0.00 0.52 0.00 0.00 54.79 54.84 1k3j n ASP 128 Cb 0.64 -0.96 -0.13 0.00 -0.72 0.00 0.00 41.12 39.95 1k3j n ASP 128 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1k3j s GLU 129 N -3.47 0.19 -0.14 -0.67 2.02 -1.26 0.76 118.70 116.13 1k3j s GLU 129 Ca 0.56 0.35 0.01 0.00 0.02 0.00 0.00 54.97 55.91 1k3j s GLU 129 Cb -0.12 -0.01 -0.00 0.00 0.10 0.00 0.00 34.13 34.09 1k3j s GLU 129 CO 0.66 -0.09 -0.16 0.42 0.02 0.00 0.00 175.26 176.11 1k3j s ILE 130 N 0.61 2.68 -0.08 -1.63 1.01 0.37 -2.35 121.20 121.81 1k3j s ILE 130 Ca -0.04 -0.78 -0.03 0.00 0.00 0.00 0.00 60.65 59.80 1k3j s ILE 130 Cb -0.06 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 1k3j s ILE 130 CO -0.03 0.52 0.06 -0.89 0.00 0.00 0.00 174.94 174.60 1k3j s THR 131 N 0.63 4.74 0.05 2.92 2.01 0.35 0.27 115.64 126.61 1k3j s THR 131 Ca -0.09 -0.15 -0.01 0.00 0.31 0.00 0.00 61.69 61.75 1k3j s THR 131 Cb -0.16 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 1k3j s THR 131 CO 0.03 0.55 -0.02 0.68 -0.69 0.00 0.00 174.62 175.17 1k3j s VAL 132 N -0.99 0.20 0.00 3.82 -7.23 0.28 0.15 120.40 116.63 1k3j s VAL 132 Ca 0.16 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 1k3j s VAL 132 Cb -0.12 -1.33 0.00 0.00 0.56 0.00 0.00 36.38 35.50 1k3j s VAL 132 CO 0.05 -0.91 0.00 0.61 -0.31 0.00 0.00 175.10 174.54 1k3j n GLY 133 N 0.33 0.74 3.79 2.32 0.00 -1.26 0.72 105.19 111.83 1k3j n GLY 133 Ca -0.16 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 44.88 1k3j n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k3j s VAL 134 N -3.00 4.46 0.00 1.61 1.01 -1.26 -3.06 120.40 120.16 1k3j s VAL 134 Ca 0.00 1.57 0.00 0.00 0.00 0.00 0.00 61.98 63.55 1k3j s VAL 134 Cb 0.00 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1k3j s VAL 134 CO 0.00 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1k3j n GLY 135 N 1.51 2.89 2.99 4.51 0.00 -1.26 -5.00 105.19 110.83 1k3j n GLY 135 Ca -0.06 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 1k3j n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k3j s VAL 136 N 0.00 1.36 0.59 1.61 1.01 -1.26 -5.00 120.40 118.70 1k3j s VAL 136 Ca 0.00 -0.52 0.29 0.00 0.00 0.00 0.00 61.98 61.75 1k3j s VAL 136 Cb 0.00 -1.29 0.39 0.00 0.00 0.00 0.00 36.38 35.48 1k3j s VAL 136 CO 0.00 0.42 1.81 -0.33 0.00 0.00 0.00 175.10 177.00 1k3j h GLU 137 N 7.87 0.00 -0.34 2.72 5.08 -1.98 0.79 114.58 128.71 1k3j h GLU 137 Ca -0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1k3j h GLU 137 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1k3j h GLU 137 CO 0.48 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.92 1k3j n SER 138 N -3.66 2.48 -1.05 1.42 7.64 -1.26 -4.20 113.62 114.98 1k3j n SER 138 Ca 0.11 -1.89 0.05 0.00 1.01 0.00 0.00 58.87 58.15 1k3j n SER 138 Cb 0.83 -0.22 0.10 0.00 -1.01 0.00 0.00 64.21 63.90 1k3j n SER 138 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1k3j n ASP 139 N 0.85 1.28 -4.67 6.43 8.00 0.27 -5.05 116.55 123.66 1k3j n ASP 139 Ca 0.17 -2.79 -0.35 0.00 0.71 0.00 0.00 54.79 52.53 1k3j n ASP 139 Cb 0.43 -0.39 -0.10 0.00 -0.02 0.00 0.00 41.12 41.05 1k3j n ASP 139 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1k3j s ILE 140 N -1.38 4.30 -0.05 0.53 1.01 -1.17 -4.44 121.20 120.00 1k3j s ILE 140 Ca 0.34 -0.25 0.05 0.00 0.00 0.00 0.00 60.65 60.79 1k3j s ILE 140 Cb 0.36 -2.81 -0.00 0.00 0.01 0.00 0.00 42.46 40.01 1k3j s ILE 140 CO -0.12 0.60 -0.19 -0.22 0.00 0.00 0.00 174.94 175.01 1k3j s LEU 141 N -0.79 1.95 0.12 2.97 0.20 0.22 -4.96 118.68 118.39 1k3j s LEU 141 Ca 0.12 -0.40 0.08 0.00 0.69 0.00 0.00 54.13 54.61 1k3j s LEU 141 Cb -0.11 -1.09 -0.04 0.00 -0.43 0.00 0.00 46.19 44.51 1k3j s LEU 141 CO 0.02 0.17 -0.11 -0.55 -0.29 0.00 0.00 176.35 175.59 1k3j s SER 142 N 0.05 4.32 0.00 3.68 0.15 -1.26 0.10 113.70 120.74 1k3j s SER 142 Ca -0.06 -0.43 0.02 0.00 0.70 0.00 0.00 55.95 56.18 1k3j s SER 142 Cb -0.13 -0.79 -0.01 0.00 -1.71 0.00 0.00 66.02 63.39 1k3j s SER 142 CO 0.03 0.17 -0.06 -0.76 1.20 0.00 0.00 173.24 173.82 1k3j s LEU 143 N -2.29 2.06 -0.08 3.45 2.01 0.14 -3.80 118.68 120.16 1k3j s LEU 143 Ca 0.21 -0.18 0.00 0.00 0.01 0.00 0.00 54.13 54.17 1k3j s LEU 143 Cb -0.11 -0.27 -0.03 0.00 0.01 0.00 0.00 46.19 45.80 1k3j s LEU 143 CO 0.14 0.02 -0.08 -0.69 1.01 0.00 0.00 176.35 176.75 1k3j s VAL 144 N -0.36 3.62 -0.18 -1.59 1.01 0.30 0.14 120.40 123.33 1k3j s VAL 144 Ca -0.00 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 1k3j s VAL 144 Cb -0.04 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 1k3j s VAL 144 CO -0.00 0.58 0.02 -0.63 0.00 0.00 0.00 175.10 175.07 1k3j s ILE 145 N -0.54 4.34 -0.21 2.22 1.01 0.23 0.11 121.20 128.36 1k3j s ILE 145 Ca 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.52 1k3j s ILE 145 Cb -0.12 -2.95 0.00 0.00 0.01 0.00 0.00 42.46 39.40 1k3j s ILE 145 CO 0.02 0.45 -0.10 -0.36 0.00 0.00 0.00 174.94 174.95 1k3j s PHE 146 N 0.59 2.90 0.03 3.97 0.40 0.33 -2.31 117.98 123.89 1k3j s PHE 146 Ca 0.01 -1.20 -0.25 0.00 -0.60 0.00 0.00 56.93 54.89 1k3j s PHE 146 Cb -0.14 -2.04 -0.05 0.00 0.51 0.00 0.00 43.02 41.30 1k3j s PHE 146 CO 0.02 -0.64 0.76 0.42 0.70 0.00 0.00 175.22 176.48 1k3j s ILE 147 N 1.41 4.77 -0.53 0.64 1.01 -1.26 0.11 121.20 127.35 1k3j s ILE 147 Ca 0.05 1.62 -0.21 0.00 0.00 0.00 0.00 60.65 62.10 1k3j s ILE 147 Cb -0.14 -4.11 0.05 0.00 0.01 0.00 0.00 42.46 38.27 1k3j s ILE 147 CO -0.07 0.35 0.78 0.21 0.00 0.00 0.00 174.94 176.21 1k3j s ASN 148 N 0.05 6.28 0.57 3.58 2.47 -1.17 -4.90 114.94 121.81 1k3j s ASN 148 Ca 0.39 -0.65 0.27 0.00 0.42 0.00 0.00 52.86 53.28 1k3j s ASN 148 Cb -0.20 -2.36 1.63 0.00 -1.45 0.00 0.00 41.25 38.87 1k3j s ASN 148 CO 0.23 -1.05 2.16 -0.78 -3.72 0.00 0.00 177.10 173.93 1k3j h ASP 149 N 9.15 0.00 -0.81 -4.21 3.58 -1.92 -1.73 116.42 120.47 1k3j h ASP 149 Ca -0.27 0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.23 1k3j h ASP 149 Cb 1.08 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.08 1k3j h ASP 149 CO 1.02 0.00 0.50 0.50 -2.88 0.00 0.00 179.24 178.39 1k3j h LYS 150 N 0.00 0.92 -0.58 0.28 1.63 -1.91 -1.87 116.57 115.04 1k3j h LYS 150 Ca 0.05 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1k3j h LYS 150 Cb 0.26 -0.21 -0.03 0.00 -0.60 0.00 0.00 32.23 31.65 1k3j h LYS 150 CO -0.00 0.61 0.36 0.35 -3.45 0.00 0.00 179.45 177.32 1k3j h PHE 151 N 0.95 0.76 -0.36 1.91 3.57 -1.51 -2.12 116.94 120.14 1k3j h PHE 151 Ca 0.34 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.82 1k3j h PHE 151 Cb 0.10 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 1k3j h PHE 151 CO -0.04 0.51 0.13 0.87 -2.23 0.00 0.00 178.31 177.56 1k3j h LYS 152 N 0.79 0.50 -0.37 1.11 1.57 -1.43 -2.10 116.57 116.63 1k3j h LYS 152 Ca 0.21 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.84 1k3j h LYS 152 Cb -0.03 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1k3j h LYS 152 CO -0.04 0.42 -0.11 0.37 -0.57 0.00 0.00 179.45 179.52 1k3j h GLN 153 N 0.50 0.73 -0.61 3.15 4.15 -0.74 -1.32 115.11 120.98 1k3j h GLN 153 Ca 0.12 -0.29 -0.04 0.00 0.77 0.00 0.00 58.65 59.21 1k3j h GLN 153 Cb 0.12 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.74 1k3j h GLN 153 CO -0.01 0.89 0.22 0.00 -1.93 0.00 0.00 178.83 178.00 1k3j h LEU 155 N 0.85 0.70 -0.21 0.00 4.07 -1.33 -0.91 115.31 118.48 1k3j h LEU 155 Ca 0.20 -0.25 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1k3j h LEU 155 Cb 0.23 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 1k3j h LEU 155 CO -0.01 0.92 0.13 -0.08 -1.08 0.00 0.00 178.44 178.31 1k3j h GLU 156 N 0.60 0.27 0.00 1.13 4.81 -0.95 -2.10 114.58 118.34 1k3j h GLU 156 Ca 0.08 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1k3j h GLU 156 Cb 0.72 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.04 1k3j h GLU 156 CO 0.06 0.20 0.00 -0.56 -0.73 0.00 0.00 179.01 177.98 1k3j h GLN 157 N 0.26 0.00 -2.69 1.92 3.07 -1.37 -3.37 115.11 112.93 1k3j h GLN 157 Ca 0.07 0.00 -0.60 0.00 0.09 0.00 0.00 58.65 58.21 1k3j h GLN 157 Cb -0.00 0.00 -0.40 0.00 0.08 0.00 0.00 27.48 27.16 1k3j h GLN 157 CO -0.02 0.00 -0.79 0.09 0.09 0.00 0.00 178.83 178.20 1k3j n ASN 158 N -2.31 1.14 -4.88 0.06 3.02 -0.36 -5.10 115.26 106.83 1k3j n ASN 158 Ca 0.05 -2.76 -0.30 0.00 -0.03 0.00 0.00 54.58 51.53 1k3j n ASN 158 Cb 0.39 -0.65 -0.03 0.00 -0.61 0.00 0.00 39.78 38.88 1k3j n ASN 158 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1k3j s LYS 159 N -0.67 3.74 0.04 3.52 1.02 -1.06 -4.55 119.74 121.79 1k3j s LYS 159 Ca 0.29 0.39 -0.30 0.00 0.02 0.00 0.00 55.97 56.37 1k3j s LYS 159 Cb 0.00 -2.42 -0.06 0.00 -0.52 0.00 0.00 37.83 34.83 1k3j s LYS 159 CO -0.18 -0.02 1.43 0.54 -0.92 0.00 0.00 175.35 176.20 1k3j s VAL 160 N -2.37 3.52 0.33 3.17 0.11 -1.26 -4.99 120.40 118.92 1k3j s VAL 160 Ca 0.50 0.98 -0.12 0.00 -2.93 0.00 0.00 61.98 60.41 1k3j s VAL 160 Cb -0.10 -3.63 0.02 0.00 -1.53 0.00 0.00 36.38 31.14 1k3j s VAL 160 CO 0.32 0.02 0.62 1.51 -3.33 0.00 0.00 175.10 174.24 1k3j s ASP 161 N 1.75 0.21 -0.12 3.54 1.47 -1.26 -5.12 116.67 117.13 1k3j s ASP 161 Ca 0.65 -1.12 -0.29 0.00 1.18 0.00 0.00 52.55 52.97 1k3j s ASP 161 Cb -0.34 0.72 -0.04 0.00 -0.34 0.00 0.00 42.92 42.93 1k3j s ASP 161 CO 0.28 -1.41 1.54 -0.60 0.68 0.00 0.00 175.17 175.66 1k3j s ARG 162 N -3.13 4.11 -0.12 2.11 6.06 -1.26 -4.99 118.95 121.72 1k3j s ARG 162 Ca 0.21 1.93 -0.13 0.00 -2.50 0.00 0.00 55.73 55.24 1k3j s ARG 162 Cb -0.03 -3.94 -0.05 0.00 0.06 0.00 0.00 34.95 30.99 1k3j s ARG 162 CO 0.13 -0.91 0.29 -1.50 -2.50 0.00 0.00 175.30 170.80 1k3j s ILE 163 N 4.16 5.28 0.00 4.11 1.10 -1.26 -5.28 121.20 129.32 1k3j s ILE 163 Ca 0.68 0.54 0.00 0.00 -0.51 0.00 0.00 60.65 61.36 1k3j s ILE 163 Cb -0.28 -3.60 0.00 0.00 0.15 0.00 0.00 42.46 38.73 1k3j s ILE 163 CO 0.25 0.48 0.00 0.54 -2.11 0.00 0.00 174.94 174.10