#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 -0.24 0.00 -1.04 -1.26 -4.72 114.28 107.02 1k3j n THR 15 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 1k3j n THR 15 Cb 0.00 -0.48 0.18 0.00 -1.82 0.00 0.00 70.33 68.20 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 1.05 -0.32 -2.82 4.15 -2.07 -2.35 115.11 112.75 1k3j h GLN 16 Ca 0.00 -0.12 -0.13 0.00 0.77 0.00 0.00 58.65 59.17 1k3j h GLN 16 Cb 0.14 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 1k3j h GLN 16 CO 0.00 0.78 -0.34 0.00 -1.93 0.00 0.00 178.83 177.34 1k3j h ARG 17 N 1.05 0.71 -0.97 1.69 2.47 -2.01 -3.03 114.38 114.29 1k3j h ARG 17 Ca 0.27 -0.33 0.04 0.00 -1.26 0.00 0.00 59.98 58.70 1k3j h ARG 17 Cb 0.04 -0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 28.29 1k3j h ARG 17 CO -0.04 0.94 0.63 0.74 0.56 0.00 0.00 179.97 182.80 1k3j h PHE 18 N 0.59 1.18 -0.25 3.04 -1.00 -1.72 -0.89 116.94 117.90 1k3j h PHE 18 Ca 0.06 0.03 0.02 0.00 2.81 0.00 0.00 57.97 60.89 1k3j h PHE 18 Cb 0.86 -0.39 -0.01 0.00 3.61 0.00 0.00 35.95 40.02 1k3j h PHE 18 CO 0.04 0.66 0.17 1.25 -1.61 0.00 0.00 178.31 178.82 1k3j h LEU 19 N 1.20 0.22 -0.42 1.54 5.85 -1.37 -1.46 115.31 120.88 1k3j h LEU 19 Ca 0.40 -0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.93 1k3j h LEU 19 Cb 0.05 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1k3j h LEU 19 CO -0.14 0.15 -0.70 0.40 -0.34 0.00 0.00 178.44 177.82 1k3j h ILE 20 N 0.26 1.36 -0.98 4.05 2.04 -1.20 -3.13 117.51 119.91 1k3j h ILE 20 Ca 0.10 -2.07 0.06 0.00 1.00 0.00 0.00 64.86 63.95 1k3j h ILE 20 Cb 0.08 2.04 -0.06 0.00 -0.74 0.00 0.00 36.82 38.14 1k3j h ILE 20 CO -0.02 0.63 0.63 -0.33 0.00 0.00 0.00 178.15 179.06 1k3j h GLU 21 N 0.31 1.12 0.00 2.37 4.39 -0.84 0.88 114.58 122.81 1k3j h GLU 21 Ca -0.02 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 1k3j h GLU 21 Cb 1.27 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1k3j h GLU 21 CO 0.12 0.74 -0.14 -0.22 -1.16 0.00 0.00 179.01 178.35 1k3j h LYS 22 N 1.15 0.00 -0.37 2.33 1.63 -1.47 -2.99 116.57 116.85 1k3j h LYS 22 Ca 0.42 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 60.26 1k3j h LYS 22 Cb 0.15 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.74 1k3j h LYS 22 CO -0.16 0.14 0.13 0.35 -3.45 0.00 0.00 179.45 176.46 1k3j h PHE 23 N 0.00 0.22 -0.28 1.91 3.04 -0.81 -2.62 116.94 118.40 1k3j h PHE 23 Ca -0.00 0.02 -0.17 0.00 3.98 0.00 0.00 57.97 61.79 1k3j h PHE 23 Cb 0.46 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.93 1k3j h PHE 23 CO 0.00 0.09 -0.50 0.66 -2.02 0.00 0.00 178.31 176.54 1k3j h SER 24 N 0.28 0.93 -3.30 0.41 4.64 -1.56 -3.47 113.55 111.48 1k3j h SER 24 Ca 0.17 -0.53 -0.39 0.00 -0.47 0.00 0.00 61.79 60.57 1k3j h SER 24 Cb 0.15 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 1k3j h SER 24 CO -0.18 1.28 -0.51 1.67 -0.87 0.00 0.00 176.83 178.23 1k3j n GLN 25 N -4.06 -2.08 -2.93 4.77 -0.06 -0.99 -4.94 117.38 107.09 1k3j n GLN 25 Ca -0.04 0.93 -0.41 0.00 -2.00 0.00 0.00 57.00 55.47 1k3j n GLN 25 Cb 0.60 -5.61 -0.05 0.00 -4.06 0.00 0.00 30.24 21.13 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 -5.12 4.20 -0.32 3.69 0.41 -1.26 -5.03 118.70 115.27 1k3j s GLU 26 Ca 0.03 0.89 -0.07 0.00 -0.41 0.00 0.00 54.97 55.41 1k3j s GLU 26 Cb -0.01 -3.63 0.03 0.00 -1.78 0.00 0.00 34.13 28.74 1k3j s GLU 26 CO 0.04 -0.45 0.10 -0.65 -0.49 0.00 0.00 175.26 173.81 1k3j s GLN 27 N 2.60 2.78 0.17 1.61 -1.52 -1.26 -5.08 119.66 118.95 1k3j s GLN 27 Ca 0.34 -1.07 -0.28 0.00 -1.95 0.00 0.00 55.36 52.40 1k3j s GLN 27 Cb -0.16 -3.43 -0.08 0.00 -0.22 0.00 0.00 33.01 29.12 1k3j s GLN 27 CO 0.09 -0.59 0.87 0.42 -0.25 0.00 0.00 175.29 175.82 1k3j s ILE 28 N 1.44 4.33 0.00 1.08 -1.09 -1.26 -5.00 121.20 120.70 1k3j s ILE 28 Ca -0.00 1.90 0.00 0.00 -2.23 0.00 0.00 60.65 60.32 1k3j s ILE 28 Cb -0.19 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.46 1k3j s ILE 28 CO 0.03 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 174.81 1k3j n GLY 29 N 1.77 1.16 0.10 6.18 0.00 -1.26 -4.99 105.19 108.15 1k3j n GLY 29 Ca -0.03 0.51 -0.02 0.00 0.00 0.00 0.00 46.02 46.49 1k3j n GLY 29 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1k3j h GLU 30 N 0.00 0.00 0.00 1.61 4.81 -2.01 -3.42 114.58 115.57 1k3j h GLU 30 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1k3j h GLU 30 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1k3j h GLU 30 CO 0.00 0.61 0.00 -1.71 -0.73 0.00 0.00 179.01 177.18 1k3j n ASN 31 N -3.19 0.00 -4.74 1.04 2.85 -1.26 -5.06 115.26 104.91 1k3j n ASN 31 Ca -0.02 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.04 1k3j n ASN 31 Cb 0.84 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.82 1k3j n ASN 31 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1k3j s ILE 32 N 0.00 3.83 -0.14 -1.44 -1.09 -1.26 -0.71 121.20 120.39 1k3j s ILE 32 Ca 0.00 1.54 -0.10 0.00 -2.23 0.00 0.00 60.65 59.85 1k3j s ILE 32 Cb 0.00 -3.98 -0.03 0.00 -1.58 0.00 0.00 42.46 36.86 1k3j s ILE 32 CO 0.00 0.25 -0.20 0.52 -1.23 0.00 0.00 174.94 174.27 1k3j n VAL 33 N 2.55 1.32 -4.13 2.92 0.31 0.33 -4.49 118.33 117.15 1k3j n VAL 33 Ca 0.04 0.22 -0.09 0.00 -0.01 0.00 0.00 64.34 64.50 1k3j n VAL 33 Cb 0.46 -2.31 -0.10 0.00 -0.91 0.00 0.00 33.84 30.98 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 -4.03 0.78 -0.23 0.00 3.00 0.30 0.57 118.95 119.34 1k3j s ARG 35 Ca 0.22 0.01 -0.17 0.00 -1.00 0.00 0.00 55.73 54.80 1k3j s ARG 35 Cb 0.07 -1.03 -0.03 0.00 0.00 0.00 0.00 34.95 33.96 1k3j s ARG 35 CO 0.01 -0.25 0.44 0.08 0.00 0.00 0.00 175.30 175.58 1k3j s VAL 36 N 1.71 5.15 -0.16 7.11 1.01 -1.01 0.18 120.40 134.38 1k3j s VAL 36 Ca 0.01 0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.76 1k3j s VAL 36 Cb -0.13 -3.76 0.03 0.00 0.00 0.00 0.00 36.38 32.52 1k3j s VAL 36 CO -0.04 0.18 -0.11 -0.63 0.00 0.00 0.00 175.10 174.50 1k3j s ILE 37 N 1.75 1.46 -0.45 2.22 1.01 0.28 -2.03 121.20 125.45 1k3j s ILE 37 Ca 0.20 -0.72 -0.28 0.00 0.00 0.00 0.00 60.65 59.85 1k3j s ILE 37 Cb -0.15 -1.48 0.03 0.00 0.01 0.00 0.00 42.46 40.87 1k3j s ILE 37 CO 0.09 0.30 1.07 0.00 0.00 0.00 0.00 174.94 176.40 1k3j h THR 39 N 6.11 0.23 0.00 0.00 1.03 -1.91 -3.29 112.91 115.07 1k3j h THR 39 Ca -0.23 -1.39 0.00 0.00 -0.01 0.00 0.00 66.41 64.78 1k3j h THR 39 Cb 1.06 1.84 0.00 0.00 -1.07 0.00 0.00 68.15 69.98 1k3j h THR 39 CO 1.08 0.13 0.00 0.35 -0.01 0.00 0.00 175.52 177.07 1k3j n THR 40 N -2.88 0.00 -2.49 0.00 -2.24 -1.25 -4.95 114.28 100.48 1k3j n THR 40 Ca -0.01 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.74 1k3j n THR 40 Cb 0.64 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 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 1.12 -1.05 0.07 3.38 0.00 -1.24 -5.00 105.19 102.47 1k3j n GLY 41 Ca 0.19 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.81 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 -0.86 0.00 -4.76 1.61 6.02 -1.26 -5.12 117.38 113.01 1k3j n GLN 42 Ca 0.05 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.79 1k3j n GLN 42 Cb 0.39 -0.32 -0.15 0.00 1.02 0.00 0.00 30.24 31.19 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 -1.04 1.48 0.44 5.09 1.01 -1.26 -4.79 121.20 122.14 1k3j s ILE 43 Ca 0.00 -0.93 -0.23 0.00 0.00 0.00 0.00 60.65 59.49 1k3j s ILE 43 Cb 0.00 -1.26 -0.08 0.00 0.01 0.00 0.00 42.46 41.13 1k3j s ILE 43 CO 0.00 0.31 1.15 -2.16 0.00 0.00 0.00 174.94 174.24 1k3j s PRO 44 N -0.72 3.85 0.63 2.79 0.04 -1.26 -4.19 135.00 136.14 1k3j s PRO 44 Ca 0.07 1.75 -0.19 0.00 0.04 0.00 0.00 61.00 62.67 1k3j s PRO 44 Cb -0.08 -2.46 -0.02 0.00 0.04 0.00 0.00 34.50 31.98 1k3j s PRO 44 CO 0.00 -0.47 1.23 -0.89 0.04 0.00 0.00 177.00 176.91 1k3j n ILE 45 N -0.37 4.59 -4.10 0.56 5.41 -1.26 -4.82 119.36 119.37 1k3j n ILE 45 Ca 0.07 -0.50 -0.09 0.00 1.00 0.00 0.00 62.75 63.23 1k3j n ILE 45 Cb 0.48 -1.44 -0.09 0.00 -0.71 0.00 0.00 39.64 37.87 1k3j n ILE 45 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 1k3j s ARG 46 N -3.19 0.88 -0.14 0.38 3.52 -0.86 -5.04 118.95 114.49 1k3j s ARG 46 Ca 0.80 -1.33 0.00 0.00 -0.13 0.00 0.00 55.73 55.07 1k3j s ARG 46 Cb -0.39 0.26 0.02 0.00 -1.56 0.00 0.00 34.95 33.28 1k3j s ARG 46 CO 0.43 -0.25 -0.12 -0.51 -0.81 0.00 0.00 175.30 174.04 1k3j s ASP 47 N -3.00 2.55 -0.08 -2.12 1.11 -1.26 -2.42 116.67 111.45 1k3j s ASP 47 Ca 0.18 -0.44 -0.20 0.00 0.18 0.00 0.00 52.55 52.27 1k3j s ASP 47 Cb 0.07 -1.08 -0.04 0.00 1.07 0.00 0.00 42.92 42.94 1k3j s ASP 47 CO -0.02 -0.08 0.57 -0.76 1.18 0.00 0.00 175.17 176.07 1k3j s LEU 48 N 1.55 4.31 0.04 1.23 1.02 0.19 -4.99 118.68 122.04 1k3j s LEU 48 Ca 0.05 1.00 -0.02 0.00 0.02 0.00 0.00 54.13 55.18 1k3j s LEU 48 Cb -0.13 -2.86 -0.03 0.00 0.02 0.00 0.00 46.19 43.19 1k3j s LEU 48 CO -0.10 -0.02 -0.00 -0.94 0.02 0.00 0.00 176.35 175.31 1k3j s SER 49 N 0.54 0.35 -0.06 2.29 1.04 -1.26 0.12 113.70 116.72 1k3j s SER 49 Ca 0.31 -0.76 -0.07 0.00 0.48 0.00 0.00 55.95 55.90 1k3j s SER 49 Cb -0.16 0.18 0.02 0.00 0.10 0.00 0.00 66.02 66.15 1k3j s SER 49 CO 0.14 -0.50 0.20 0.00 0.98 0.00 0.00 173.24 174.06 1k3j s ALA 50 N -2.96 -0.49 0.07 5.32 0.00 0.11 -4.78 121.76 119.03 1k3j s ALA 50 Ca -0.02 0.46 -0.30 0.00 0.00 0.00 0.00 51.96 52.10 1k3j s ALA 50 Cb 0.01 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.83 1k3j s ALA 50 CO -0.06 -0.12 1.06 -0.51 0.00 0.00 0.00 175.76 176.13 1k3j s ASP 51 N -0.17 7.29 0.20 0.00 1.01 -1.26 -4.67 116.67 119.08 1k3j s ASP 51 Ca -0.03 1.88 -0.08 0.00 0.71 0.00 0.00 52.55 55.03 1k3j s ASP 51 Cb -0.02 -2.58 0.13 0.00 1.01 0.00 0.00 42.92 41.45 1k3j s ASP 51 CO 0.01 -0.28 1.73 0.40 0.21 0.00 0.00 175.17 177.24 1k3j h ILE 52 N 4.36 1.26 -0.83 0.77 1.08 -1.97 -2.69 117.51 119.49 1k3j h ILE 52 Ca -0.42 -0.93 0.07 0.00 -0.39 0.00 0.00 64.86 63.18 1k3j h ILE 52 Cb 1.21 0.47 -0.06 0.00 -3.07 0.00 0.00 36.82 35.38 1k3j h ILE 52 CO 0.76 0.37 0.51 -1.28 -0.69 0.00 0.00 178.15 177.81 1k3j h SER 53 N 1.10 0.78 -0.20 1.72 0.87 -1.99 0.79 113.55 116.62 1k3j h SER 53 Ca 0.23 0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.69 1k3j h SER 53 Cb 0.33 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1k3j h SER 53 CO -0.00 0.49 -0.30 1.56 -0.53 0.00 0.00 176.83 178.05 1k3j h GLN 54 N 0.91 0.70 0.01 2.24 4.20 -1.93 -1.99 115.11 119.25 1k3j h GLN 54 Ca 0.37 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 1k3j h GLN 54 Cb 0.20 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1k3j h GLN 54 CO -0.18 0.91 -0.01 0.28 -0.67 0.00 0.00 178.83 179.16 1k3j h VAL 55 N 0.60 1.28 0.00 -0.54 2.07 -0.96 -0.50 116.25 118.19 1k3j h VAL 55 Ca 0.07 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 1k3j h VAL 55 Cb 0.80 1.87 -0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1k3j h VAL 55 CO 0.07 0.23 -0.15 0.17 0.02 0.00 0.00 177.57 177.90 1k3j h LEU 56 N -0.39 0.00 0.04 2.57 8.10 -0.90 -3.11 115.31 121.61 1k3j h LEU 56 Ca -0.00 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.99 1k3j h LEU 56 Cb 0.38 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.60 1k3j h LEU 56 CO 0.00 0.15 -0.02 0.11 -4.11 0.00 0.00 178.44 174.57 1k3j h LYS 57 N 0.00 -0.05 -6.23 0.17 6.56 -1.23 -3.44 116.57 112.35 1k3j h LYS 57 Ca -0.00 0.00 -0.56 0.00 -1.06 0.00 0.00 60.65 59.03 1k3j h LYS 57 Cb 0.36 0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 32.01 1k3j h LYS 57 CO 0.02 0.53 1.02 -1.21 -2.06 0.00 0.00 179.45 177.75 1k3j s GLU 58 N -2.35 4.09 -0.37 3.15 8.01 -0.21 -4.89 118.70 126.13 1k3j s GLU 58 Ca -0.12 1.81 0.05 0.00 0.01 0.00 0.00 54.97 56.72 1k3j s GLU 58 Cb -0.01 -3.91 0.64 0.00 -4.31 0.00 0.00 34.13 26.53 1k3j s GLU 58 CO 0.45 -0.92 1.80 1.63 0.01 0.00 0.00 175.26 178.23 1k3j n LYS 59 N 7.08 2.60 -1.65 1.61 4.76 -1.26 -4.83 118.16 126.46 1k3j n LYS 59 Ca 0.16 -2.76 -0.14 0.00 -2.87 0.00 0.00 58.31 52.70 1k3j n LYS 59 Cb 0.44 -2.10 0.08 0.00 -1.84 0.00 0.00 35.03 31.62 1k3j n LYS 59 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1k3j n ARG 60 N -0.70 0.01 -1.06 1.97 1.74 -1.26 -4.99 116.66 112.36 1k3j n ARG 60 Ca 0.49 -1.54 -0.22 0.00 -0.77 0.00 0.00 57.85 55.82 1k3j n ARG 60 Cb 1.49 -0.47 0.13 0.00 -1.02 0.00 0.00 32.46 32.59 1k3j n ARG 60 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1k3j n SER 61 N -3.05 4.34 -3.64 0.55 2.88 -1.26 -4.61 113.62 108.83 1k3j n SER 61 Ca 0.10 -3.39 -0.03 0.00 -1.33 0.00 0.00 58.87 54.22 1k3j n SER 61 Cb 0.35 -0.83 -0.06 0.00 -0.75 0.00 0.00 64.21 62.93 1k3j n SER 61 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1k3j s ILE 62 N -3.01 0.00 0.00 2.46 1.10 -1.25 -4.34 121.20 116.16 1k3j s ILE 62 Ca 0.49 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.63 1k3j s ILE 62 Cb 0.41 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 42.02 1k3j s ILE 62 CO 0.07 0.00 0.00 0.29 -2.11 0.00 0.00 174.94 173.19 1k3j n LYS 63 N 1.10 0.00 -4.11 3.50 4.01 0.31 -4.91 118.16 118.06 1k3j n LYS 63 Ca -0.06 0.00 -0.16 0.00 -0.51 0.00 0.00 58.31 57.58 1k3j n LYS 63 Cb 0.58 -0.03 -0.15 0.00 -0.51 0.00 0.00 35.03 34.92 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 -0.80 0.42 -0.02 1.97 2.20 -1.09 -4.99 119.74 117.44 1k3j s LYS 64 Ca 0.00 -0.13 0.06 0.00 -0.36 0.00 0.00 55.97 55.54 1k3j s LYS 64 Cb 0.00 -0.44 -0.01 0.00 -1.51 0.00 0.00 37.83 35.87 1k3j s LYS 64 CO 0.00 0.05 -0.20 0.08 -0.36 0.00 0.00 175.35 174.93 1k3j s VAL 65 N 0.14 1.57 -0.11 4.02 1.01 -1.26 -0.85 120.40 124.91 1k3j s VAL 65 Ca -0.01 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 1k3j s VAL 65 Cb -0.05 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 1k3j s VAL 65 CO -0.00 0.44 0.07 0.26 0.00 0.00 0.00 175.10 175.87 1k3j s TRP 66 N -0.35 3.37 -0.16 5.22 0.51 0.49 -4.90 118.94 123.11 1k3j s TRP 66 Ca 0.05 0.33 -0.02 0.00 -2.12 0.00 0.00 56.10 54.33 1k3j s TRP 66 Cb -0.09 -1.89 -0.02 0.00 -0.81 0.00 0.00 33.47 30.66 1k3j s TRP 66 CO 0.00 0.55 -0.08 0.99 -0.51 0.00 0.00 176.95 177.90 1k3j s THR 67 N -0.78 3.36 0.04 2.01 2.01 -1.26 0.14 115.64 121.16 1k3j s THR 67 Ca 0.13 -0.53 0.05 0.00 0.31 0.00 0.00 61.69 61.65 1k3j s THR 67 Cb -0.12 -2.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.89 1k3j s THR 67 CO 0.03 0.49 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.98 1k3j s PHE 68 N 0.68 2.75 -3.89 4.92 0.40 0.58 0.75 117.98 124.17 1k3j s PHE 68 Ca -0.04 -0.13 0.00 0.00 -0.60 0.00 0.00 56.93 56.16 1k3j s PHE 68 Cb -0.15 -1.53 0.00 0.00 0.51 0.00 0.00 43.02 41.85 1k3j s PHE 68 CO 0.02 0.35 0.00 0.41 0.70 0.00 0.00 175.22 176.70 1k3j n GLY 69 N 1.37 -1.88 0.01 4.36 0.00 -0.55 0.12 105.19 108.62 1k3j n GLY 69 Ca -0.15 -1.19 0.15 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.34 0.73 -3.00 1.61 1.74 0.12 -1.82 116.66 115.70 1k3j n ARG 70 Ca 0.00 -0.02 -0.40 0.00 -0.77 0.00 0.00 57.85 56.67 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 -2.28 7.24 0.00 0.55 2.47 -0.41 -4.79 114.94 117.72 1k3j s ASN 71 Ca 0.38 1.48 0.13 0.00 0.42 0.00 0.00 52.86 55.27 1k3j s ASN 71 Cb 0.21 -2.47 0.64 0.00 -1.45 0.00 0.00 41.25 38.18 1k3j s ASN 71 CO 0.42 0.07 1.37 -2.65 -3.72 0.00 0.00 177.10 172.58 1k3j n PRO 72 N 2.49 0.14 0.02 0.43 -0.02 -1.26 -2.17 135.00 134.63 1k3j n PRO 72 Ca -0.04 0.19 -0.20 0.00 -2.02 0.00 0.00 63.50 61.43 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 2.58 0.03 -1.47 3.55 0.00 -1.94 -3.46 119.26 118.55 1k3j h ALA 73 Ca 0.00 -0.86 -0.67 0.00 0.00 0.00 0.00 54.91 53.38 1k3j h ALA 73 Cb 0.15 0.27 0.09 0.00 0.00 0.00 0.00 17.79 18.30 1k3j h ALA 73 CO 0.00 0.55 -0.03 0.00 0.00 0.00 0.00 179.25 179.77 1k3j h ASP 75 N 2.32 0.00 -3.48 0.00 3.58 0.01 -3.38 116.42 115.46 1k3j h ASP 75 Ca -0.39 0.00 -0.48 0.00 0.42 0.00 0.00 57.03 56.58 1k3j h ASP 75 Cb 1.38 0.00 -0.33 0.00 1.72 0.00 0.00 39.33 42.10 1k3j h ASP 75 CO 0.63 0.00 -0.80 -0.47 -2.88 0.00 0.00 179.24 175.72 1k3j s TYR 76 N -3.98 1.26 -0.11 0.28 6.14 0.48 -4.91 117.35 116.50 1k3j s TYR 76 Ca -0.04 -0.43 -0.03 0.00 0.64 0.00 0.00 57.07 57.21 1k3j s TYR 76 Cb 0.10 -0.95 -0.03 0.00 0.42 0.00 0.00 41.96 41.50 1k3j s TYR 76 CO 0.30 -0.24 0.00 -1.58 0.64 0.00 0.00 175.55 174.68 1k3j s HIS 77 N 0.65 3.15 -0.41 4.97 5.65 -1.26 -1.48 115.29 126.55 1k3j s HIS 77 Ca -0.13 0.09 0.05 0.00 0.25 0.00 0.00 55.06 55.32 1k3j s HIS 77 Cb -0.15 -1.85 0.18 0.00 -1.18 0.00 0.00 32.58 29.58 1k3j s HIS 77 CO 0.03 0.34 0.37 1.47 -0.65 0.00 0.00 174.74 176.30 1k3j n LEU 78 N 2.56 -0.43 0.00 8.88 -0.00 -0.76 -4.82 117.00 122.43 1k3j n LEU 78 Ca -0.18 -4.40 0.00 0.00 -0.00 0.00 0.00 56.01 51.43 1k3j n LEU 78 Cb 0.53 0.57 0.00 0.00 -0.00 0.00 0.00 43.42 44.52 1k3j n LEU 78 CO 0.30 1.89 0.00 0.61 -0.00 0.00 0.00 177.39 180.19 1k3j n GLY 79 N 2.62 2.13 3.12 1.47 0.00 -1.26 -4.48 105.19 108.79 1k3j n GLY 79 Ca 0.28 -0.24 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 1k3j n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k3j s ASN 80 N -4.00 -1.01 -0.13 1.61 2.20 -1.26 -4.49 114.94 107.86 1k3j s ASN 80 Ca 0.00 -0.87 -0.03 0.00 -0.94 0.00 0.00 52.86 51.02 1k3j s ASN 80 Cb 0.00 1.70 -0.03 0.00 -2.00 0.00 0.00 41.25 40.92 1k3j s ASN 80 CO 0.00 -0.20 -0.03 -0.63 -2.94 0.00 0.00 177.10 173.30 1k3j s ILE 81 N 1.84 3.98 0.25 0.54 1.09 -1.26 -5.01 121.20 122.63 1k3j s ILE 81 Ca 0.16 -0.34 -0.05 0.00 -1.10 0.00 0.00 60.65 59.32 1k3j s ILE 81 Cb -0.07 -2.72 0.25 0.00 -1.06 0.00 0.00 42.46 38.86 1k3j s ILE 81 CO -0.08 0.52 1.90 -1.28 -0.10 0.00 0.00 174.94 175.90 1k3j h SER 82 N 6.27 1.05 0.04 3.58 0.87 -2.00 -1.28 113.55 122.08 1k3j h SER 82 Ca -0.37 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.18 1k3j h SER 82 Cb 1.19 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.91 1k3j h SER 82 CO 0.61 0.71 -0.05 -0.09 -0.53 0.00 0.00 176.83 177.48 1k3j h ARG 83 N 1.21 0.01 -6.28 2.24 9.65 -1.92 -3.42 114.38 115.87 1k3j h ARG 83 Ca 0.39 -0.00 -0.55 0.00 -1.10 0.00 0.00 59.98 58.72 1k3j h ARG 83 Cb 0.02 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.57 1k3j h ARG 83 CO -0.13 0.06 -0.26 -0.51 2.80 0.00 0.00 179.97 181.93 1k3j s LEU 84 N -8.96 4.20 0.42 3.80 1.43 -0.48 -4.50 118.68 114.59 1k3j s LEU 84 Ca -0.05 0.60 0.02 0.00 -1.03 0.00 0.00 54.13 53.68 1k3j s LEU 84 Cb 0.17 -3.36 -0.00 0.00 0.03 0.00 0.00 46.19 43.02 1k3j s LEU 84 CO 0.68 -0.04 0.62 -0.94 0.23 0.00 0.00 176.35 176.90 1k3j s SER 85 N -2.76 5.83 0.23 2.29 1.04 -1.26 -4.71 113.70 114.35 1k3j s SER 85 Ca 0.42 0.10 -0.16 0.00 0.48 0.00 0.00 55.95 56.79 1k3j s SER 85 Cb -0.11 -1.37 0.26 0.00 0.10 0.00 0.00 66.02 64.90 1k3j s SER 85 CO 0.26 -0.66 1.57 0.78 0.98 0.00 0.00 173.24 176.18 1k3j h ASN 86 N 0.53 -1.18 -3.58 7.02 4.21 -1.93 -2.67 115.58 117.98 1k3j h ASN 86 Ca -0.46 0.28 -0.63 0.00 1.21 0.00 0.00 56.30 56.71 1k3j h ASN 86 Cb 1.26 0.65 -0.41 0.00 -1.12 0.00 0.00 38.32 38.69 1k3j h ASN 86 CO 0.55 -0.29 -0.61 -1.59 -1.29 0.00 0.00 177.43 174.20 1k3j s LYS 87 N -6.06 2.20 0.13 0.81 -2.85 -1.26 0.12 119.74 112.83 1k3j s LYS 87 Ca -0.14 -2.99 -0.17 0.00 -1.00 0.00 0.00 55.97 51.66 1k3j s LYS 87 Cb 0.21 -3.29 -0.02 0.00 -2.06 0.00 0.00 37.83 32.67 1k3j s LYS 87 CO 0.73 -1.22 1.74 1.25 0.10 0.00 0.00 175.35 177.95 1k3j h HIS 88 N 5.87 0.47 -3.86 1.78 2.76 0.13 -3.36 115.15 118.94 1k3j h HIS 88 Ca 0.06 -0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.11 1k3j h HIS 88 Cb 0.82 -0.15 -0.16 0.00 1.55 0.00 0.00 27.41 29.47 1k3j h HIS 88 CO 0.60 0.37 -0.47 -0.59 -1.30 0.00 0.00 177.93 176.54 1k3j s PHE 89 N -5.87 0.22 -0.00 5.26 -0.71 -0.63 0.13 117.98 116.38 1k3j s PHE 89 Ca -0.13 -0.62 0.02 0.00 -1.04 0.00 0.00 56.93 55.16 1k3j s PHE 89 Cb 0.10 -0.14 -0.00 0.00 -1.21 0.00 0.00 43.02 41.76 1k3j s PHE 89 CO 0.73 -0.45 -0.05 -1.14 -1.34 0.00 0.00 175.22 172.96 1k3j s GLN 90 N -3.37 0.44 -0.11 1.99 0.74 0.36 0.21 119.66 119.92 1k3j s GLN 90 Ca 0.01 -0.21 0.00 0.00 0.05 0.00 0.00 55.36 55.22 1k3j s GLN 90 Cb 0.03 -0.41 -0.02 0.00 1.10 0.00 0.00 33.01 33.71 1k3j s GLN 90 CO -0.08 0.11 -0.12 0.42 -0.55 0.00 0.00 175.29 175.07 1k3j s ILE 91 N -0.17 3.16 0.06 -2.34 1.01 0.38 0.20 121.20 123.50 1k3j s ILE 91 Ca 0.02 -0.64 0.06 0.00 0.00 0.00 0.00 60.65 60.09 1k3j s ILE 91 Cb -0.02 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 1k3j s ILE 91 CO -0.00 0.54 -0.13 -0.76 0.00 0.00 0.00 174.94 174.59 1k3j s LEU 92 N 0.09 2.90 -0.13 2.97 1.02 -0.13 0.19 118.68 125.59 1k3j s LEU 92 Ca -0.05 -0.35 0.01 0.00 0.02 0.00 0.00 54.13 53.75 1k3j s LEU 92 Cb -0.15 -1.70 0.02 0.00 0.02 0.00 0.00 46.19 44.38 1k3j s LEU 92 CO 0.04 0.23 -0.14 -0.22 0.02 0.00 0.00 176.35 176.28 1k3j s LEU 93 N -1.74 1.67 0.00 1.79 2.96 -0.03 -2.03 118.68 121.29 1k3j s LEU 93 Ca 0.18 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 53.64 1k3j s LEU 93 Cb -0.11 -1.11 0.00 0.00 0.50 0.00 0.00 46.19 45.47 1k3j s LEU 93 CO 0.09 -0.02 0.00 0.61 -1.32 0.00 0.00 176.35 175.71 1k3j n GLY 94 N 4.49 3.95 0.00 7.98 0.00 -1.26 0.12 105.19 120.47 1k3j n GLY 94 Ca -0.18 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 0.00 0.00 0.00 1.61 1.02 -1.26 -3.85 120.64 118.16 1k3j n GLU 95 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1k3j n GLU 95 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1k3j n GLU 95 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1k3j n ASP 96 N 0.00 0.00 0.00 1.62 8.00 -1.26 -4.87 116.55 120.04 1k3j n ASP 96 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1k3j n ASP 96 Cb 0.00 0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 1k3j n ASP 96 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k3j n GLY 97 N 0.50 0.00 0.80 0.44 0.00 -1.26 -5.07 105.19 100.60 1k3j n GLY 97 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1k3j n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1k3j n ASN 98 N 0.00 -0.44 -4.41 1.61 3.02 -1.26 -5.02 115.26 108.75 1k3j n ASN 98 Ca 0.00 -1.38 -0.26 0.00 -0.03 0.00 0.00 54.58 52.92 1k3j n ASN 98 Cb 0.00 0.75 -0.11 0.00 -0.61 0.00 0.00 39.78 39.81 1k3j n ASN 98 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1k3j s LEU 99 N 0.00 2.46 0.04 3.41 1.43 -1.26 -4.04 118.68 120.71 1k3j s LEU 99 Ca 0.04 -0.89 0.03 0.00 -1.03 0.00 0.00 54.13 52.29 1k3j s LEU 99 Cb -0.01 -1.10 -0.02 0.00 0.03 0.00 0.00 46.19 45.09 1k3j s LEU 99 CO 0.03 0.08 -0.11 -1.48 0.23 0.00 0.00 176.35 175.11 1k3j s LEU 100 N -2.80 2.21 -0.18 1.79 2.34 -0.86 -3.04 118.68 118.14 1k3j s LEU 100 Ca 0.21 -0.48 -0.03 0.00 0.06 0.00 0.00 54.13 53.89 1k3j s LEU 100 Cb -0.07 -0.37 -0.01 0.00 -0.56 0.00 0.00 46.19 45.17 1k3j s LEU 100 CO 0.10 -0.08 -0.07 -1.48 -1.06 0.00 0.00 176.35 173.77 1k3j s LEU 101 N -1.31 2.93 -0.28 1.48 2.34 -0.70 -0.96 118.68 122.18 1k3j s LEU 101 Ca -0.04 -0.31 -0.06 0.00 0.06 0.00 0.00 54.13 53.78 1k3j s LEU 101 Cb -0.08 -1.71 0.01 0.00 -0.56 0.00 0.00 46.19 43.84 1k3j s LEU 101 CO 0.01 0.08 0.05 0.21 -1.06 0.00 0.00 176.35 175.64 1k3j s ASN 102 N 0.89 4.96 0.07 1.48 2.47 0.54 -2.66 114.94 122.70 1k3j s ASN 102 Ca -0.01 -0.66 -0.30 0.00 0.42 0.00 0.00 52.86 52.30 1k3j s ASN 102 Cb -0.15 -1.85 -0.05 0.00 -1.45 0.00 0.00 41.25 37.75 1k3j s ASN 102 CO 0.01 -0.16 1.08 1.51 -3.72 0.00 0.00 177.10 175.83 1k3j s ASP 103 N 1.49 7.25 -0.26 -4.21 1.47 -1.24 0.14 116.67 121.30 1k3j s ASP 103 Ca 0.03 1.90 0.22 0.00 1.18 0.00 0.00 52.55 55.88 1k3j s ASP 103 Cb -0.17 -2.58 0.51 0.00 -0.34 0.00 0.00 42.92 40.34 1k3j s ASP 103 CO 0.01 -0.31 1.10 2.30 0.68 0.00 0.00 175.17 178.96 1k3j n ILE 104 N 3.46 1.30 -3.90 2.11 -5.35 -0.53 0.23 119.36 116.67 1k3j n ILE 104 Ca 0.06 -2.97 -0.29 0.00 -0.27 0.00 0.00 62.75 59.28 1k3j n ILE 104 Cb 0.48 1.20 -0.04 0.00 -1.74 0.00 0.00 39.64 39.54 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 -3.77 6.36 0.31 7.28 0.01 0.35 -4.18 113.70 120.07 1k3j s SER 105 Ca 0.28 0.26 0.08 0.00 1.31 0.00 0.00 55.95 57.88 1k3j s SER 105 Cb 0.33 -1.95 0.52 0.00 0.21 0.00 0.00 66.02 65.12 1k3j s SER 105 CO -0.03 0.11 1.73 0.74 0.41 0.00 0.00 173.24 176.20 1k3j h THR 106 N 1.89 1.30 0.00 1.44 2.02 -1.87 -3.14 112.91 114.55 1k3j h THR 106 Ca -0.46 -1.46 0.00 0.00 0.77 0.00 0.00 66.41 65.25 1k3j h THR 106 Cb 1.17 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.26 1k3j h THR 106 CO 0.73 0.43 -1.81 0.59 0.37 0.00 0.00 175.52 175.83 1k3j n ASN 107 N -4.04 0.17 0.00 4.18 3.02 -1.26 -5.09 115.26 112.23 1k3j n ASN 107 Ca -0.01 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1k3j n ASN 107 Cb 0.46 1.72 0.00 0.00 -0.61 0.00 0.00 39.78 41.35 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 1.26 3.12 3.36 7.41 0.00 -1.19 -4.89 105.19 114.26 1k3j n GLY 108 Ca -0.03 -1.92 -0.32 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.78 2.51 0.09 2.61 2.01 -1.26 -4.38 115.64 114.43 1k3j s THR 109 Ca 0.00 -0.92 0.07 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 -0.13 0.26 -0.69 0.00 0.00 174.62 174.64 1k3j s TRP 110 N -0.45 2.67 -0.21 4.92 0.51 0.36 -2.64 118.94 124.11 1k3j s TRP 110 Ca 0.05 -0.19 0.01 0.00 -2.12 0.00 0.00 56.10 53.85 1k3j s TRP 110 Cb -0.12 -1.43 0.05 0.00 -0.81 0.00 0.00 33.47 31.16 1k3j s TRP 110 CO 0.01 0.38 -0.10 -1.17 -0.51 0.00 0.00 176.95 175.57 1k3j s LEU 111 N -1.98 2.45 -1.68 2.99 2.96 0.10 0.13 118.68 123.66 1k3j s LEU 111 Ca 0.19 -0.99 -0.14 0.00 -0.22 0.00 0.00 54.13 52.97 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 0.11 -0.16 0.58 0.59 -1.32 0.00 0.00 176.35 176.14 1k3j n ASN 112 N 4.65 -1.89 0.00 3.68 3.02 -0.93 0.90 115.26 124.69 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 -2.38 0.00 0.00 -0.61 0.00 0.00 39.78 37.25 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 1.75 3.45 7.41 0.00 -1.26 -5.01 105.19 109.95 1k3j n GLY 113 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.37 3.55 -0.10 1.61 -0.21 0.26 -5.06 119.66 119.34 1k3j s GLN 114 Ca 0.00 -0.56 -0.30 0.00 0.02 0.00 0.00 55.36 54.53 1k3j s GLN 114 Cb 0.00 -3.43 -0.03 0.00 1.00 0.00 0.00 33.01 30.55 1k3j s GLN 114 CO 0.00 -0.27 1.29 0.21 -2.12 0.00 0.00 175.29 174.40 1k3j s LYS 115 N 1.62 4.27 0.45 2.91 2.47 -1.26 0.02 119.74 130.23 1k3j s LYS 115 Ca 0.06 1.75 0.01 0.00 -1.56 0.00 0.00 55.97 56.23 1k3j s LYS 115 Cb -0.16 -3.69 0.00 0.00 -1.46 0.00 0.00 37.83 32.52 1k3j s LYS 115 CO 0.05 -0.62 0.67 0.14 0.16 0.00 0.00 175.35 175.75 1k3j s VAL 116 N 2.99 3.77 0.03 4.02 -7.23 -1.08 -4.95 120.40 117.93 1k3j s VAL 116 Ca 0.58 -0.58 -0.30 0.00 -1.81 0.00 0.00 61.98 59.86 1k3j s VAL 116 Cb -0.25 -3.38 -0.06 0.00 0.56 0.00 0.00 36.38 33.25 1k3j s VAL 116 CO 0.20 -0.25 1.42 -0.70 -0.31 0.00 0.00 175.10 175.46 1k3j s GLU 117 N -4.55 4.28 1.00 4.82 2.56 -1.26 -4.66 118.70 120.90 1k3j s GLU 117 Ca 0.50 2.02 -0.14 0.00 0.00 0.00 0.00 54.97 57.35 1k3j s GLU 117 Cb -0.10 -3.52 0.09 0.00 2.00 0.00 0.00 34.13 32.60 1k3j s GLU 117 CO 0.37 -0.57 0.48 1.17 -0.56 0.00 0.00 175.26 176.16 1k3j n LYS 118 N 5.16 -0.78 -2.46 4.30 4.81 -1.26 -2.24 118.16 125.69 1k3j n LYS 118 Ca 0.13 -0.19 -0.05 0.00 -0.87 0.00 0.00 58.31 57.33 1k3j n LYS 118 Cb 0.43 -1.93 -0.01 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 -2.15 -0.95 -4.54 3.14 3.02 0.63 -4.87 115.26 109.54 1k3j n ASN 119 Ca 0.06 0.24 -0.32 0.00 -0.03 0.00 0.00 54.58 54.53 1k3j n ASN 119 Cb 0.55 -0.92 -0.11 0.00 -0.61 0.00 0.00 39.78 38.69 1k3j n ASN 119 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1k3j s SER 120 N -1.87 4.31 -0.14 6.41 0.15 -0.95 -4.90 113.70 116.72 1k3j s SER 120 Ca 0.09 -0.23 -0.17 0.00 0.70 0.00 0.00 55.95 56.34 1k3j s SER 120 Cb -0.05 -0.91 -0.04 0.00 -1.71 0.00 0.00 66.02 63.30 1k3j s SER 120 CO 0.11 0.28 0.41 0.20 1.20 0.00 0.00 173.24 175.44 1k3j s ASN 121 N -1.35 6.59 0.07 5.45 0.02 -1.26 -3.66 114.94 120.81 1k3j s ASN 121 Ca 0.16 0.70 0.06 0.00 -1.02 0.00 0.00 52.86 52.76 1k3j s ASN 121 Cb -0.11 -2.25 -0.03 0.00 0.02 0.00 0.00 41.25 38.88 1k3j s ASN 121 CO 0.06 0.03 -0.16 -1.10 0.02 0.00 0.00 177.10 175.95 1k3j s GLN 122 N 0.59 0.93 -0.34 -0.60 -1.52 -1.09 -4.91 119.66 112.72 1k3j s GLN 122 Ca 0.22 -0.98 -0.29 0.00 -1.95 0.00 0.00 55.36 52.36 1k3j s GLN 122 Cb -0.14 -1.00 -0.00 0.00 -0.22 0.00 0.00 33.01 31.64 1k3j s GLN 122 CO 0.08 0.23 1.51 -1.17 -0.25 0.00 0.00 175.29 175.69 1k3j s LEU 123 N -1.69 3.67 1.16 2.90 1.98 -1.26 -1.72 118.68 123.71 1k3j s LEU 123 Ca 0.01 1.13 -0.13 0.00 -2.89 0.00 0.00 54.13 52.25 1k3j s LEU 123 Cb -0.10 -3.54 0.28 0.00 0.66 0.00 0.00 46.19 43.50 1k3j s LEU 123 CO 0.03 -1.41 1.02 0.00 -1.89 0.00 0.00 176.35 174.10 1k3j n LEU 124 N 8.88 -1.01 -4.33 -0.68 -0.00 -1.17 -4.97 117.00 113.72 1k3j n LEU 124 Ca 0.18 -0.11 -0.23 0.00 -0.00 0.00 0.00 56.01 55.85 1k3j n LEU 124 Cb 0.47 -1.28 -0.12 0.00 -0.00 0.00 0.00 43.42 42.49 1k3j n LEU 124 CO 0.68 -3.19 -0.50 -0.55 -0.00 0.00 0.00 177.39 173.83 1k3j s SER 125 N -2.42 2.76 -0.19 1.45 0.15 -1.26 -5.01 113.70 109.18 1k3j s SER 125 Ca 0.68 -0.82 -0.29 0.00 0.70 0.00 0.00 55.95 56.23 1k3j s SER 125 Cb -0.25 -0.17 -0.03 0.00 -1.71 0.00 0.00 66.02 63.87 1k3j s SER 125 CO 0.65 0.01 1.51 -1.10 1.20 0.00 0.00 173.24 175.51 1k3j s GLN 126 N -2.54 3.98 -0.97 5.44 -1.52 -1.26 -2.23 119.66 120.56 1k3j s GLN 126 Ca 0.14 1.71 0.00 0.00 -1.95 0.00 0.00 55.36 55.26 1k3j s GLN 126 Cb -0.07 -3.95 0.00 0.00 -0.22 0.00 0.00 33.01 28.77 1k3j s GLN 126 CO 0.06 -1.06 0.00 0.41 -0.25 0.00 0.00 175.29 174.45 1k3j n GLY 127 N 4.30 1.06 3.05 3.09 0.00 -0.24 -4.99 105.19 111.46 1k3j n GLY 127 Ca 0.17 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 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 0.12 -4.12 -3.78 1.61 2.03 -0.89 -4.46 116.55 107.07 1k3j n ASP 128 Ca -0.09 -0.84 -0.13 0.00 0.52 0.00 0.00 54.79 54.25 1k3j n ASP 128 Cb 0.34 -0.95 -0.13 0.00 -0.72 0.00 0.00 41.12 39.66 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 -4.98 0.20 -0.18 -0.67 2.02 -1.26 0.11 118.70 113.95 1k3j s GLU 129 Ca 0.64 0.35 -0.04 0.00 0.02 0.00 0.00 54.97 55.94 1k3j s GLU 129 Cb -0.11 -0.00 -0.02 0.00 0.10 0.00 0.00 34.13 34.09 1k3j s GLU 129 CO 0.54 -0.09 -0.03 0.42 0.02 0.00 0.00 175.26 176.12 1k3j s ILE 130 N 0.59 3.77 -0.11 -1.63 1.01 0.30 -2.19 121.20 122.94 1k3j s ILE 130 Ca -0.04 -0.39 -0.04 0.00 0.00 0.00 0.00 60.65 60.18 1k3j s ILE 130 Cb -0.05 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 1k3j s ILE 130 CO -0.03 0.46 0.05 -0.89 0.00 0.00 0.00 174.94 174.53 1k3j s THR 131 N 0.79 4.72 0.05 2.92 2.01 0.36 0.29 115.64 126.78 1k3j s THR 131 Ca -0.01 -0.09 -0.01 0.00 0.31 0.00 0.00 61.69 61.89 1k3j s THR 131 Cb -0.14 -3.03 -0.03 0.00 0.01 0.00 0.00 72.50 69.30 1k3j s THR 131 CO 0.02 0.59 -0.02 0.68 -0.69 0.00 0.00 174.62 175.20 1k3j s VAL 132 N -0.76 0.20 0.00 3.82 -7.23 0.18 0.14 120.40 116.74 1k3j s VAL 132 Ca 0.12 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 1k3j s VAL 132 Cb -0.12 -1.29 0.00 0.00 0.56 0.00 0.00 36.38 35.54 1k3j s VAL 132 CO 0.03 -0.90 0.00 0.61 -0.31 0.00 0.00 175.10 174.53 1k3j n GLY 133 N 0.37 0.83 3.77 2.32 0.00 -1.26 0.68 105.19 111.89 1k3j n GLY 133 Ca -0.16 -0.64 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.00 3.04 0.00 1.61 1.01 -1.26 -3.62 120.40 119.18 1k3j s VAL 134 Ca 0.00 1.04 0.00 0.00 0.00 0.00 0.00 61.98 63.02 1k3j s VAL 134 Cb 0.00 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1k3j s VAL 134 CO 0.00 0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.95 1k3j n GLY 135 N 0.94 2.74 3.10 4.51 0.00 -1.26 -4.99 105.19 110.24 1k3j n GLY 135 Ca -0.00 -0.34 -0.26 0.00 0.00 0.00 0.00 46.02 45.42 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 1.39 0.31 1.61 1.01 -1.26 -5.03 120.40 118.43 1k3j s VAL 136 Ca 0.00 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.39 1k3j s VAL 136 Cb 0.00 -1.22 0.31 0.00 0.00 0.00 0.00 36.38 35.47 1k3j s VAL 136 CO 0.00 0.41 1.77 -0.08 0.00 0.00 0.00 175.10 177.19 1k3j h GLU 137 N 6.54 0.69 -0.33 2.72 4.81 -1.99 0.13 114.58 127.15 1k3j h GLU 137 Ca -0.30 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1k3j h GLU 137 Cb 1.19 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1k3j h GLU 137 CO 0.48 0.46 0.00 0.43 -0.73 0.00 0.00 179.01 179.64 1k3j n SER 138 N -4.79 2.43 -0.54 1.04 7.64 -1.26 -4.17 113.62 113.97 1k3j n SER 138 Ca 0.24 -1.88 0.06 0.00 1.01 0.00 0.00 58.87 58.30 1k3j n SER 138 Cb 0.62 -0.22 0.19 0.00 -1.01 0.00 0.00 64.21 63.80 1k3j n SER 138 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1k3j n ASP 139 N 0.82 2.07 -4.67 6.43 2.03 0.43 -5.01 116.55 118.65 1k3j n ASP 139 Ca 0.17 -3.63 -0.35 0.00 0.52 0.00 0.00 54.79 51.50 1k3j n ASP 139 Cb 0.42 -0.52 -0.10 0.00 -0.72 0.00 0.00 41.12 40.21 1k3j n ASP 139 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1k3j s ILE 140 N -3.13 4.27 -0.07 5.18 1.01 -1.20 -4.33 121.20 122.94 1k3j s ILE 140 Ca 0.37 -0.26 0.05 0.00 0.00 0.00 0.00 60.65 60.82 1k3j s ILE 140 Cb 0.35 -2.80 -0.01 0.00 0.01 0.00 0.00 42.46 40.01 1k3j s ILE 140 CO -0.03 0.60 -0.24 -0.22 0.00 0.00 0.00 174.94 175.06 1k3j s LEU 141 N -0.83 2.15 -0.10 2.97 0.20 0.21 -4.96 118.68 118.32 1k3j s LEU 141 Ca 0.13 -0.49 -0.00 0.00 0.69 0.00 0.00 54.13 54.46 1k3j s LEU 141 Cb -0.11 -1.40 -0.03 0.00 -0.43 0.00 0.00 46.19 44.22 1k3j s LEU 141 CO 0.02 0.23 -0.08 -0.44 -0.29 0.00 0.00 176.35 175.79 1k3j s SER 142 N -0.09 4.46 0.12 3.68 0.01 -1.26 0.48 113.70 121.10 1k3j s SER 142 Ca -0.05 -0.13 0.07 0.00 1.31 0.00 0.00 55.95 57.15 1k3j s SER 142 Cb -0.14 -1.35 -0.04 0.00 0.21 0.00 0.00 66.02 64.70 1k3j s SER 142 CO 0.04 0.28 -0.18 -0.76 0.41 0.00 0.00 173.24 173.03 1k3j s LEU 143 N -0.29 2.36 -0.04 2.44 1.43 0.15 -3.75 118.68 120.97 1k3j s LEU 143 Ca 0.04 -0.76 0.05 0.00 -1.03 0.00 0.00 54.13 52.42 1k3j s LEU 143 Cb -0.13 -0.75 -0.02 0.00 0.03 0.00 0.00 46.19 45.32 1k3j s LEU 143 CO 0.03 -0.03 -0.17 -0.69 0.23 0.00 0.00 176.35 175.71 1k3j s VAL 144 N -1.68 2.81 -0.24 -1.59 1.01 0.31 0.11 120.40 121.13 1k3j s VAL 144 Ca 0.09 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 1k3j s VAL 144 Cb -0.07 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 1k3j s VAL 144 CO 0.04 0.59 0.06 -0.63 0.00 0.00 0.00 175.10 175.16 1k3j s ILE 145 N -0.68 4.26 -0.39 2.22 1.01 0.31 0.10 121.20 128.04 1k3j s ILE 145 Ca 0.11 -0.19 -0.05 0.00 0.00 0.00 0.00 60.65 60.52 1k3j s ILE 145 Cb -0.11 -2.98 0.09 0.00 0.01 0.00 0.00 42.46 39.47 1k3j s ILE 145 CO 0.00 0.36 0.18 0.12 0.00 0.00 0.00 174.94 175.60 1k3j s PHE 146 N 1.49 3.43 0.03 3.97 5.36 0.49 -1.08 117.98 131.68 1k3j s PHE 146 Ca 0.06 -2.00 -0.25 0.00 -0.96 0.00 0.00 56.93 53.78 1k3j s PHE 146 Cb -0.15 -2.88 -0.05 0.00 -0.34 0.00 0.00 43.02 39.60 1k3j s PHE 146 CO 0.03 -0.89 0.76 0.42 -1.46 0.00 0.00 175.22 174.08 1k3j s ILE 147 N 1.26 4.77 -0.41 3.12 1.01 -1.26 0.11 121.20 129.80 1k3j s ILE 147 Ca 0.03 1.62 -0.23 0.00 0.00 0.00 0.00 60.65 62.07 1k3j s ILE 147 Cb -0.22 -4.11 0.02 0.00 0.01 0.00 0.00 42.46 38.16 1k3j s ILE 147 CO -0.01 0.35 0.76 0.21 0.00 0.00 0.00 174.94 176.24 1k3j s ASN 148 N 0.04 6.46 0.51 3.58 2.47 -1.15 -4.91 114.94 121.94 1k3j s ASN 148 Ca 0.39 0.08 0.25 0.00 0.42 0.00 0.00 52.86 53.99 1k3j s ASN 148 Cb -0.20 -2.38 1.37 0.00 -1.45 0.00 0.00 41.25 38.59 1k3j s ASN 148 CO 0.23 -0.80 2.06 -0.78 -3.72 0.00 0.00 177.10 174.08 1k3j h ASP 149 N 8.73 0.00 -0.51 -4.21 3.58 -1.94 -2.71 116.42 119.36 1k3j h ASP 149 Ca -0.25 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.22 1k3j h ASP 149 Cb 1.09 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.11 1k3j h ASP 149 CO 0.92 0.13 0.31 0.11 -2.88 0.00 0.00 179.24 177.83 1k3j h LYS 150 N 0.00 0.60 -0.64 0.28 1.57 -1.93 -1.52 116.57 114.93 1k3j h LYS 150 Ca -0.00 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1k3j h LYS 150 Cb 0.32 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 1k3j h LYS 150 CO 0.02 0.40 0.38 0.35 -0.57 0.00 0.00 179.45 180.03 1k3j h PHE 151 N 0.62 0.71 -0.76 -1.35 3.57 -1.71 -1.04 116.94 116.98 1k3j h PHE 151 Ca 0.20 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 1k3j h PHE 151 Cb 0.01 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.48 1k3j h PHE 151 CO -0.06 0.39 0.37 0.87 -2.23 0.00 0.00 178.31 177.66 1k3j h LYS 152 N 0.74 1.09 -0.66 1.11 1.57 -1.48 -1.25 116.57 117.70 1k3j h LYS 152 Ca 0.26 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 1k3j h LYS 152 Cb 0.06 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 1k3j h LYS 152 CO -0.12 0.84 0.15 0.37 -0.57 0.00 0.00 179.45 180.12 1k3j h GLN 153 N 1.07 1.07 -0.32 3.15 5.75 -0.71 0.18 115.11 125.29 1k3j h GLN 153 Ca 0.26 -0.26 -0.04 0.00 -0.15 0.00 0.00 58.65 58.45 1k3j h GLN 153 Cb 0.11 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 1k3j h GLN 153 CO -0.03 0.96 0.03 0.00 -2.65 0.00 0.00 178.83 177.14 1k3j h LEU 155 N 0.37 0.63 -0.55 0.00 6.46 -1.12 0.84 115.31 121.94 1k3j h LEU 155 Ca 0.09 -0.22 -0.03 0.00 -0.12 0.00 0.00 57.88 57.60 1k3j h LEU 155 Cb 0.40 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.13 1k3j h LEU 155 CO 0.01 0.86 0.22 -0.33 -0.62 0.00 0.00 178.44 178.58 1k3j h GLU 156 N 0.55 0.82 0.04 1.25 4.39 -0.81 -3.07 114.58 117.74 1k3j h GLU 156 Ca 0.08 -0.15 -0.27 0.00 0.34 0.00 0.00 59.36 59.36 1k3j h GLU 156 Cb 0.71 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.20 1k3j h GLU 156 CO 0.05 0.71 -1.40 0.37 -1.16 0.00 0.00 179.01 177.58 1k3j h GLN 157 N 0.74 0.08 0.00 2.33 5.75 -1.25 -3.47 115.11 119.30 1k3j h GLN 157 Ca 0.18 -0.14 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 1k3j h GLN 157 Cb 0.20 0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.80 1k3j h GLN 157 CO -0.02 0.88 0.00 0.27 -2.65 0.00 0.00 178.83 177.31 1k3j n ASN 158 N -3.29 0.00 -4.63 -0.69 0.23 0.29 -4.32 115.26 102.86 1k3j n ASN 158 Ca -0.11 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.51 1k3j n ASN 158 Cb 1.01 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.69 1k3j n ASN 158 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1k3j s LYS 159 N 0.00 3.80 0.11 -3.83 2.20 -1.26 -4.98 119.74 115.79 1k3j s LYS 159 Ca 0.00 1.39 -0.20 0.00 -0.36 0.00 0.00 55.97 56.79 1k3j s LYS 159 Cb 0.00 -3.97 -0.07 0.00 -1.51 0.00 0.00 37.83 32.28 1k3j s LYS 159 CO 0.00 -1.27 0.63 0.08 -0.36 0.00 0.00 175.35 174.43 1k3j s VAL 160 N 4.93 4.65 0.00 4.02 1.01 -1.26 -4.91 120.40 128.84 1k3j s VAL 160 Ca 0.64 1.30 0.00 0.00 0.00 0.00 0.00 61.98 63.92 1k3j s VAL 160 Cb -0.20 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.25 1k3j s VAL 160 CO 0.27 0.49 0.00 -0.67 0.00 0.00 0.00 175.10 175.19 1k3j n ASP 161 N 1.51 0.00 0.35 3.32 -0.08 -1.26 -4.95 116.55 115.44 1k3j n ASP 161 Ca -0.08 0.00 -0.18 0.00 -1.51 0.00 0.00 54.79 53.02 1k3j n ASP 161 Cb 0.50 0.16 -0.09 0.00 2.34 0.00 0.00 41.12 44.04 1k3j n ASP 161 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 1k3j h ARG 162 N 0.00 -0.90 -5.94 -0.67 1.12 -2.02 -3.41 114.38 102.56 1k3j h ARG 162 Ca 0.00 0.06 -0.60 0.00 -1.11 0.00 0.00 59.98 58.33 1k3j h ARG 162 Cb 0.00 0.20 -0.06 0.00 -0.01 0.00 0.00 29.97 30.10 1k3j h ARG 162 CO 0.00 -0.60 -0.20 0.42 -3.11 0.00 0.00 179.97 176.48 1k3j s ILE 163 N -6.03 5.07 -2.81 1.20 1.09 -1.26 -5.35 121.20 113.11 1k3j s ILE 163 Ca -0.18 0.84 0.26 0.00 -1.10 0.00 0.00 60.65 60.47 1k3j s ILE 163 Cb 0.04 -3.72 0.33 0.00 -1.06 0.00 0.00 42.46 38.04 1k3j s ILE 163 CO 0.62 0.53 1.45 0.54 -0.10 0.00 0.00 174.94 177.98