#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 0.83 -0.06 0.00 -2.24 -1.26 -4.62 114.28 106.94 1k3j n THR 15 Ca 0.00 0.28 -0.12 0.00 -2.27 0.00 0.00 64.05 61.93 1k3j n THR 15 Cb 0.00 -1.24 -0.06 0.00 -2.10 0.00 0.00 70.33 66.93 1k3j n THR 15 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1k3j h GLN 16 N 0.00 0.36 -0.49 -0.78 4.20 -2.07 -2.66 115.11 113.67 1k3j h GLN 16 Ca 0.00 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.56 1k3j h GLN 16 Cb 0.00 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 1k3j h GLN 16 CO 0.00 0.65 0.31 0.00 -0.67 0.00 0.00 178.83 179.13 1k3j h ARG 17 N 0.04 0.65 -0.87 1.46 -0.00 -2.01 -2.31 114.38 111.34 1k3j h ARG 17 Ca 0.04 -0.05 0.06 0.00 -0.50 0.00 0.00 59.98 59.54 1k3j h ARG 17 Cb 0.54 -0.14 -0.06 0.00 0.00 0.00 0.00 29.97 30.31 1k3j h ARG 17 CO 0.02 0.45 0.57 0.35 0.00 0.00 0.00 179.97 181.36 1k3j h PHE 18 N 0.66 1.00 -0.18 3.04 3.57 -1.81 -0.43 116.94 122.79 1k3j h PHE 18 Ca 0.18 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 1k3j h PHE 18 Cb -0.05 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.36 1k3j h PHE 18 CO -0.04 0.53 0.08 1.25 -2.23 0.00 0.00 178.31 177.90 1k3j h LEU 19 N 0.98 0.22 -0.48 0.59 5.85 -1.05 -1.78 115.31 119.64 1k3j h LEU 19 Ca 0.37 -0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.91 1k3j h LEU 19 Cb 0.20 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1k3j h LEU 19 CO -0.14 0.19 -0.63 0.40 -0.34 0.00 0.00 178.44 177.93 1k3j h ILE 20 N 0.25 1.35 -0.62 4.05 2.04 -0.90 -3.03 117.51 120.65 1k3j h ILE 20 Ca 0.07 -1.94 0.05 0.00 1.00 0.00 0.00 64.86 64.03 1k3j h ILE 20 Cb 0.04 1.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.99 1k3j h ILE 20 CO -0.01 0.59 0.35 -0.33 0.00 0.00 0.00 178.15 178.75 1k3j h GLU 21 N 0.35 0.64 0.00 2.37 5.08 -0.99 0.13 114.58 122.15 1k3j h GLU 21 Ca -0.01 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1k3j h GLU 21 Cb 1.18 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 1k3j h GLU 21 CO 0.11 0.42 -0.13 0.87 -1.00 0.00 0.00 179.01 179.29 1k3j h LYS 22 N 0.66 0.00 -0.37 2.33 1.57 -1.51 -2.81 116.57 116.44 1k3j h LYS 22 Ca 0.27 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.09 1k3j h LYS 22 Cb 0.13 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 1k3j h LYS 22 CO -0.15 0.13 0.13 0.35 -0.57 0.00 0.00 179.45 179.33 1k3j h PHE 23 N 0.00 0.23 0.04 -1.35 3.04 -0.84 -2.83 116.94 115.22 1k3j h PHE 23 Ca -0.00 0.02 -0.28 0.00 3.98 0.00 0.00 57.97 61.69 1k3j h PHE 23 Cb 0.45 -0.05 0.02 0.00 2.56 0.00 0.00 35.95 38.94 1k3j h PHE 23 CO 0.00 0.09 -1.12 1.03 -2.02 0.00 0.00 178.31 176.29 1k3j h SER 24 N 0.28 0.91 -3.02 0.41 0.87 -1.49 -3.39 113.55 108.12 1k3j h SER 24 Ca 0.17 -0.77 -0.74 0.00 -1.23 0.00 0.00 61.79 59.22 1k3j h SER 24 Cb 0.15 -0.28 -0.22 0.00 -0.44 0.00 0.00 62.40 61.61 1k3j h SER 24 CO -0.18 1.57 0.56 -1.10 -0.53 0.00 0.00 176.83 177.15 1k3j s GLN 25 N -3.20 3.68 -0.14 2.24 -0.21 -1.07 -5.02 119.66 115.94 1k3j s GLN 25 Ca -0.10 -2.20 -0.22 0.00 0.02 0.00 0.00 55.36 52.86 1k3j s GLN 25 Cb 0.06 -4.71 -0.03 0.00 1.00 0.00 0.00 33.01 29.33 1k3j s GLN 25 CO 0.93 -1.55 0.66 -2.00 -2.12 0.00 0.00 175.29 171.21 1k3j s GLU 26 N 1.34 4.31 -0.18 2.91 2.12 -1.24 -4.66 118.70 123.30 1k3j s GLU 26 Ca 0.28 0.73 -0.29 0.00 0.36 0.00 0.00 54.97 56.05 1k3j s GLU 26 Cb -0.07 -3.52 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 1k3j s GLU 26 CO -0.08 -0.11 1.87 1.14 -0.54 0.00 0.00 175.26 177.54 1k3j s GLN 27 N 1.43 3.64 0.16 4.30 -2.07 -1.26 -4.96 119.66 120.91 1k3j s GLN 27 Ca 0.32 1.93 -0.27 0.00 -1.82 0.00 0.00 55.36 55.52 1k3j s GLN 27 Cb -0.16 -4.17 -0.08 0.00 -1.09 0.00 0.00 33.01 27.51 1k3j s GLN 27 CO 0.13 -1.50 0.86 0.42 -1.32 0.00 0.00 175.29 173.87 1k3j s ILE 28 N 6.06 4.35 0.00 3.63 -1.09 -1.26 -4.43 121.20 128.45 1k3j s ILE 28 Ca 0.83 1.87 0.00 0.00 -2.23 0.00 0.00 60.65 61.13 1k3j s ILE 28 Cb -0.30 -4.22 0.00 0.00 -1.58 0.00 0.00 42.46 36.35 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 1.78 1.41 0.17 6.18 0.00 -1.26 -5.05 105.19 108.42 1k3j n GLY 29 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 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 0.58 0.00 1.61 5.08 -2.02 -3.42 114.58 116.41 1k3j h GLU 30 Ca 0.00 -0.74 -0.06 0.00 -1.00 0.00 0.00 59.36 57.55 1k3j h GLU 30 Cb 0.00 0.24 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 1k3j h GLU 30 CO 0.00 1.33 -0.11 0.27 -1.00 0.00 0.00 179.01 179.49 1k3j n ASN 31 N -3.77 -0.50 -4.73 1.42 0.23 -1.26 -5.05 115.26 101.60 1k3j n ASN 31 Ca -0.12 -1.16 -0.41 0.00 -0.53 0.00 0.00 54.58 52.36 1k3j n ASN 31 Cb 0.96 0.20 -0.04 0.00 -2.08 0.00 0.00 39.78 38.82 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 0.03 4.13 -0.13 1.53 -1.09 -1.26 -0.44 121.20 123.96 1k3j s ILE 32 Ca 0.02 1.72 -0.09 0.00 -2.23 0.00 0.00 60.65 60.07 1k3j s ILE 32 Cb 0.09 -4.10 -0.03 0.00 -1.58 0.00 0.00 42.46 36.84 1k3j s ILE 32 CO -0.03 0.24 -0.18 0.52 -1.23 0.00 0.00 174.94 174.27 1k3j n VAL 33 N 2.90 1.26 -3.92 2.92 0.31 0.25 -4.52 118.33 117.54 1k3j n VAL 33 Ca 0.04 0.24 -0.08 0.00 -0.01 0.00 0.00 64.34 64.53 1k3j n VAL 33 Cb 0.47 -2.28 -0.08 0.00 -0.91 0.00 0.00 33.84 31.04 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 -3.88 2.20 -0.21 0.00 3.00 0.39 0.11 118.95 120.55 1k3j s ARG 35 Ca 0.05 -0.89 -0.05 0.00 -1.00 0.00 0.00 55.73 53.85 1k3j s ARG 35 Cb 0.06 -2.01 -0.02 0.00 0.00 0.00 0.00 34.95 32.98 1k3j s ARG 35 CO -0.11 0.47 -0.01 0.08 0.00 0.00 0.00 175.30 175.73 1k3j s VAL 36 N -0.41 3.75 -0.14 7.11 1.01 -0.33 0.14 120.40 131.53 1k3j s VAL 36 Ca 0.04 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1k3j s VAL 36 Cb -0.11 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.59 1k3j s VAL 36 CO 0.01 0.42 -0.14 -0.63 0.00 0.00 0.00 175.10 174.76 1k3j s ILE 37 N 1.23 1.50 -0.43 2.22 1.01 0.28 -1.92 121.20 125.09 1k3j s ILE 37 Ca 0.03 -0.60 -0.28 0.00 0.00 0.00 0.00 60.65 59.80 1k3j s ILE 37 Cb -0.15 -1.42 0.03 0.00 0.01 0.00 0.00 42.46 40.93 1k3j s ILE 37 CO 0.00 0.45 1.08 0.00 0.00 0.00 0.00 174.94 176.47 1k3j h THR 39 N 6.06 0.37 0.00 0.00 1.35 -1.92 -3.22 112.91 115.55 1k3j h THR 39 Ca -0.23 -1.55 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 1k3j h THR 39 Cb 1.06 2.10 0.00 0.00 -1.73 0.00 0.00 68.15 69.58 1k3j h THR 39 CO 1.08 0.21 0.00 0.35 -0.25 0.00 0.00 175.52 176.91 1k3j n THR 40 N -3.07 0.00 -2.82 6.82 -2.24 -1.26 -4.95 114.28 106.75 1k3j n THR 40 Ca 0.01 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.76 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 1.10 -1.19 0.56 3.38 0.00 -1.22 -4.98 105.19 102.85 1k3j n GLY 41 Ca 0.20 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.93 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 -1.11 0.00 -4.92 1.61 6.02 -1.26 -5.11 117.38 112.60 1k3j n GLN 42 Ca 0.05 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.72 1k3j n GLN 42 Cb 0.46 -0.25 -0.14 0.00 1.02 0.00 0.00 30.24 31.34 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 -1.28 2.67 0.36 5.09 1.01 -1.26 -4.98 121.20 122.81 1k3j s ILE 43 Ca 0.00 -1.00 -0.27 0.00 0.00 0.00 0.00 60.65 59.38 1k3j s ILE 43 Cb 0.00 -2.05 -0.09 0.00 0.01 0.00 0.00 42.46 40.33 1k3j s ILE 43 CO 0.00 0.50 1.19 -2.16 0.00 0.00 0.00 174.94 174.46 1k3j s PRO 44 N -0.96 4.23 0.27 2.79 0.04 -1.26 -4.27 135.00 135.85 1k3j s PRO 44 Ca 0.12 1.92 -0.30 0.00 0.04 0.00 0.00 61.00 62.78 1k3j s PRO 44 Cb -0.10 -2.86 -0.12 0.00 0.04 0.00 0.00 34.50 31.45 1k3j s PRO 44 CO 0.02 -0.19 1.48 -0.89 0.04 0.00 0.00 177.00 177.46 1k3j n ILE 45 N 0.45 1.07 -4.26 0.56 5.41 -1.26 -4.86 119.36 116.47 1k3j n ILE 45 Ca 0.02 -0.27 -0.15 0.00 1.00 0.00 0.00 62.75 63.36 1k3j n ILE 45 Cb 0.45 -1.70 -0.10 0.00 -0.71 0.00 0.00 39.64 37.58 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 -0.58 1.10 -0.16 0.38 3.52 -0.81 -5.03 118.95 117.37 1k3j s ARG 46 Ca 0.65 -1.47 0.00 0.00 -0.13 0.00 0.00 55.73 54.79 1k3j s ARG 46 Cb -0.57 -0.68 0.02 0.00 -1.56 0.00 0.00 34.95 32.16 1k3j s ARG 46 CO 0.50 0.09 -0.15 -0.51 -0.81 0.00 0.00 175.30 174.42 1k3j s ASP 47 N -3.19 2.78 0.04 -2.12 1.11 -1.26 -1.19 116.67 112.84 1k3j s ASP 47 Ca 0.18 -0.52 -0.27 0.00 0.18 0.00 0.00 52.55 52.11 1k3j s ASP 47 Cb 0.02 -1.23 -0.05 0.00 1.07 0.00 0.00 42.92 42.73 1k3j s ASP 47 CO 0.01 -0.05 0.86 -0.76 1.18 0.00 0.00 175.17 176.42 1k3j s LEU 48 N 1.45 4.43 0.04 1.23 1.02 0.30 -4.96 118.68 122.18 1k3j s LEU 48 Ca 0.05 1.56 -0.00 0.00 0.02 0.00 0.00 54.13 55.76 1k3j s LEU 48 Cb -0.13 -3.39 -0.03 0.00 0.02 0.00 0.00 46.19 42.66 1k3j s LEU 48 CO -0.11 -0.08 -0.03 -0.94 0.02 0.00 0.00 176.35 175.20 1k3j s SER 49 N 0.29 0.41 -0.03 2.29 1.04 -1.26 0.88 113.70 117.32 1k3j s SER 49 Ca 0.44 -0.78 -0.04 0.00 0.48 0.00 0.00 55.95 56.04 1k3j s SER 49 Cb -0.21 0.15 0.01 0.00 0.10 0.00 0.00 66.02 66.07 1k3j s SER 49 CO 0.25 -0.46 0.11 0.00 0.98 0.00 0.00 173.24 174.12 1k3j s ALA 50 N -2.84 -0.27 0.27 5.32 0.00 0.41 -4.78 121.76 119.87 1k3j s ALA 50 Ca -0.03 0.21 -0.29 0.00 0.00 0.00 0.00 51.96 51.85 1k3j s ALA 50 Cb 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 23.12 22.90 1k3j s ALA 50 CO -0.06 -0.08 1.01 -0.51 0.00 0.00 0.00 175.76 176.12 1k3j s ASP 51 N -0.22 7.43 0.12 0.00 1.11 -1.26 -4.63 116.67 119.21 1k3j s ASP 51 Ca -0.03 2.09 -0.17 0.00 0.18 0.00 0.00 52.55 54.62 1k3j s ASP 51 Cb -0.02 -2.61 -0.03 0.00 1.07 0.00 0.00 42.92 41.32 1k3j s ASP 51 CO 0.00 -0.01 1.62 0.40 1.18 0.00 0.00 175.17 178.37 1k3j h ILE 52 N 3.06 1.22 -0.92 0.77 2.04 -1.96 -2.28 117.51 119.43 1k3j h ILE 52 Ca -0.46 -0.73 0.07 0.00 1.00 0.00 0.00 64.86 64.74 1k3j h ILE 52 Cb 1.21 1.03 -0.07 0.00 -0.74 0.00 0.00 36.82 38.25 1k3j h ILE 52 CO 0.67 0.25 0.58 0.77 0.00 0.00 0.00 178.15 180.42 1k3j h SER 53 N 0.41 0.90 -0.20 1.72 4.64 -1.99 0.13 113.55 119.17 1k3j h SER 53 Ca 0.11 0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.33 1k3j h SER 53 Cb 0.28 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1k3j h SER 53 CO -0.00 0.57 -0.30 1.56 -0.87 0.00 0.00 176.83 177.79 1k3j h GLN 54 N 1.03 0.69 -0.28 4.77 4.20 -1.94 0.71 115.11 124.28 1k3j h GLN 54 Ca 0.41 -0.30 -0.09 0.00 0.06 0.00 0.00 58.65 58.73 1k3j h GLN 54 Cb 0.21 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1k3j h GLN 54 CO -0.19 0.90 -0.16 0.28 -0.67 0.00 0.00 178.83 178.99 1k3j h VAL 55 N 0.59 1.30 -0.28 -0.54 2.07 -0.65 0.14 116.25 118.87 1k3j h VAL 55 Ca 0.07 -1.28 -0.18 0.00 0.82 0.00 0.00 66.70 66.14 1k3j h VAL 55 Cb 0.80 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1k3j h VAL 55 CO 0.07 0.41 -0.53 -0.07 0.02 0.00 0.00 177.57 177.47 1k3j h LEU 56 N 0.35 0.90 -0.26 2.57 3.38 -0.74 -3.23 115.31 118.30 1k3j h LEU 56 Ca 0.06 -0.47 -0.12 0.00 0.09 0.00 0.00 57.88 57.44 1k3j h LEU 56 Cb 0.69 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1k3j h LEU 56 CO 0.05 1.26 -0.29 0.11 0.09 0.00 0.00 178.44 179.65 1k3j h LYS 57 N 0.63 0.65 -6.27 1.13 1.57 -0.84 -3.41 116.57 110.04 1k3j h LYS 57 Ca 0.02 -0.36 -0.56 0.00 -1.87 0.00 0.00 60.65 57.89 1k3j h LYS 57 Cb 1.12 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.41 1k3j h LYS 57 CO 0.11 0.97 1.24 -1.21 -0.57 0.00 0.00 179.45 179.99 1k3j s GLU 58 N -4.30 3.23 -0.45 3.15 2.02 0.48 -4.85 118.70 117.98 1k3j s GLU 58 Ca -0.13 1.07 0.03 0.00 0.02 0.00 0.00 54.97 55.97 1k3j s GLU 58 Cb 0.08 -4.20 0.61 0.00 0.10 0.00 0.00 34.13 30.72 1k3j s GLU 58 CO 0.82 -1.99 1.89 0.36 0.02 0.00 0.00 175.26 176.36 1k3j n LYS 59 N 8.54 2.24 -2.82 1.61 2.85 -1.26 -4.85 118.16 124.46 1k3j n LYS 59 Ca 0.20 -2.89 -0.17 0.00 -1.05 0.00 0.00 58.31 54.40 1k3j n LYS 59 Cb 0.48 -2.13 0.03 0.00 -0.65 0.00 0.00 35.03 32.76 1k3j n LYS 59 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1k3j n ARG 60 N -1.04 0.76 0.02 -1.58 1.74 -1.26 -5.05 116.66 110.26 1k3j n ARG 60 Ca 0.57 -2.50 -0.13 0.00 -0.77 0.00 0.00 57.85 55.03 1k3j n ARG 60 Cb 1.51 -0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 32.86 1k3j n ARG 60 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1k3j h SER 61 N 0.24 -0.02 -2.40 0.55 4.64 -1.94 -3.45 113.55 111.17 1k3j h SER 61 Ca -0.23 -0.27 -0.60 0.00 -0.47 0.00 0.00 61.79 60.22 1k3j h SER 61 Cb 0.97 0.01 -0.13 0.00 -0.31 0.00 0.00 62.40 62.93 1k3j h SER 61 CO 0.35 0.26 -0.72 -0.63 -0.87 0.00 0.00 176.83 175.21 1k3j s ILE 62 N -5.08 2.89 0.05 0.95 -1.09 -1.26 -4.10 121.20 113.55 1k3j s ILE 62 Ca -0.15 -2.11 0.00 0.00 -2.23 0.00 0.00 60.65 56.16 1k3j s ILE 62 Cb 0.03 -2.50 0.00 0.00 -1.58 0.00 0.00 42.46 38.41 1k3j s ILE 62 CO 0.66 -0.33 0.00 0.29 -1.23 0.00 0.00 174.94 174.33 1k3j n LYS 63 N -0.55 0.00 -4.63 2.79 4.01 0.22 -4.93 118.16 115.08 1k3j n LYS 63 Ca -0.07 0.00 -0.25 0.00 -0.51 0.00 0.00 58.31 57.48 1k3j n LYS 63 Cb 0.59 -0.17 -0.17 0.00 -0.51 0.00 0.00 35.03 34.77 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 -1.38 1.74 -0.02 1.97 2.20 -1.14 -4.99 119.74 118.12 1k3j s LYS 64 Ca 0.00 -0.44 0.05 0.00 -0.36 0.00 0.00 55.97 55.22 1k3j s LYS 64 Cb 0.00 -1.44 -0.01 0.00 -1.51 0.00 0.00 37.83 34.87 1k3j s LYS 64 CO 0.00 0.05 -0.17 0.08 -0.36 0.00 0.00 175.35 174.95 1k3j s VAL 65 N 0.59 1.38 -0.11 4.02 1.01 -1.26 -1.05 120.40 124.99 1k3j s VAL 65 Ca -0.14 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 1k3j s VAL 65 Cb -0.15 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 1k3j s VAL 65 CO 0.04 0.39 0.08 0.26 0.00 0.00 0.00 175.10 175.87 1k3j s TRP 66 N -0.32 3.40 -0.13 5.22 0.51 0.51 -4.89 118.94 123.25 1k3j s TRP 66 Ca 0.05 0.36 -0.00 0.00 -2.12 0.00 0.00 56.10 54.39 1k3j s TRP 66 Cb -0.08 -1.89 -0.02 0.00 -0.81 0.00 0.00 33.47 30.67 1k3j s TRP 66 CO -0.00 0.59 -0.11 0.99 -0.51 0.00 0.00 176.95 177.90 1k3j s THR 67 N -0.86 3.21 0.06 2.01 2.01 -1.26 0.15 115.64 120.96 1k3j s THR 67 Ca 0.13 -0.61 0.09 0.00 0.31 0.00 0.00 61.69 61.61 1k3j s THR 67 Cb -0.12 -2.35 -0.03 0.00 0.01 0.00 0.00 72.50 70.01 1k3j s THR 67 CO 0.03 0.53 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.90 1k3j s PHE 68 N 0.23 2.43 -4.93 4.92 0.40 0.54 0.12 117.98 121.69 1k3j s PHE 68 Ca -0.07 -0.34 0.00 0.00 -0.60 0.00 0.00 56.93 55.92 1k3j s PHE 68 Cb -0.15 -1.40 0.00 0.00 0.51 0.00 0.00 43.02 41.98 1k3j s PHE 68 CO 0.05 0.22 0.00 0.41 0.70 0.00 0.00 175.22 176.60 1k3j n GLY 69 N 1.50 -1.19 0.00 4.36 0.00 -0.88 0.17 105.19 109.15 1k3j n GLY 69 Ca -0.17 -1.20 0.13 0.00 0.00 0.00 0.00 46.02 44.78 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 0.00 0.97 -2.94 1.61 1.74 0.29 -1.53 116.66 116.81 1k3j n ARG 70 Ca 0.00 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 1k3j n ARG 70 Cb 0.00 -1.41 -0.04 0.00 -1.02 0.00 0.00 32.46 29.99 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 -1.83 7.04 0.13 0.55 2.47 0.11 -4.85 114.94 118.56 1k3j s ASN 71 Ca 0.38 1.26 0.15 0.00 0.42 0.00 0.00 52.86 55.08 1k3j s ASN 71 Cb 0.18 -2.45 0.69 0.00 -1.45 0.00 0.00 41.25 38.22 1k3j s ASN 71 CO 0.30 -0.24 1.47 -2.65 -3.72 0.00 0.00 177.10 172.26 1k3j n PRO 72 N 4.30 0.08 0.05 0.43 -0.02 -1.26 -1.79 135.00 136.78 1k3j n PRO 72 Ca 0.02 0.42 -0.22 0.00 -2.02 0.00 0.00 63.50 61.70 1k3j n PRO 72 Cb 0.50 -1.69 -0.15 0.00 -0.02 0.00 0.00 33.50 32.15 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 2.24 0.03 -0.99 3.55 0.00 -1.94 -3.47 119.26 118.68 1k3j h ALA 73 Ca 0.00 -0.92 -0.67 0.00 0.00 0.00 0.00 54.91 53.32 1k3j h ALA 73 Cb 0.19 0.30 0.11 0.00 0.00 0.00 0.00 17.79 18.38 1k3j h ALA 73 CO 0.00 0.66 -0.50 0.00 0.00 0.00 0.00 179.25 179.41 1k3j h ASP 75 N 1.06 0.00 -3.23 0.00 3.32 0.59 -3.37 116.42 114.79 1k3j h ASP 75 Ca -0.29 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.24 1k3j h ASP 75 Cb 1.42 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.61 1k3j h ASP 75 CO 0.57 0.00 -0.80 -0.47 -1.72 0.00 0.00 179.24 176.81 1k3j s TYR 76 N -3.95 1.44 -0.46 4.55 5.04 0.44 -4.90 117.35 119.52 1k3j s TYR 76 Ca -0.04 -0.68 -0.18 0.00 -2.44 0.00 0.00 57.07 53.73 1k3j s TYR 76 Cb 0.09 -1.18 0.04 0.00 0.35 0.00 0.00 41.96 41.26 1k3j s TYR 76 CO 0.29 -0.46 0.53 -1.58 -1.34 0.00 0.00 175.55 172.99 1k3j s HIS 77 N 1.51 3.12 0.00 4.97 2.46 -1.26 -2.07 115.29 124.02 1k3j s HIS 77 Ca 0.01 -0.44 0.00 0.00 0.47 0.00 0.00 55.06 55.10 1k3j s HIS 77 Cb -0.13 -3.21 0.00 0.00 -0.13 0.00 0.00 32.58 29.11 1k3j s HIS 77 CO -0.06 -0.85 0.25 1.28 -2.47 0.00 0.00 174.74 172.89 1k3j n LEU 78 N 5.85 1.32 0.00 8.88 4.77 -0.58 -4.86 117.00 132.38 1k3j n LEU 78 Ca -0.07 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1k3j n LEU 78 Cb 0.46 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1k3j n LEU 78 CO 0.50 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1k3j n GLY 79 N 1.16 -1.38 2.64 -0.72 0.00 -1.26 -4.66 105.19 100.97 1k3j n GLY 79 Ca 0.00 0.66 -0.11 0.00 0.00 0.00 0.00 46.02 46.57 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 -2.04 -4.30 1.61 0.23 -1.26 -4.89 115.26 104.62 1k3j n ASN 80 Ca 0.00 -3.39 -0.35 0.00 -0.53 0.00 0.00 54.58 50.31 1k3j n ASN 80 Cb 0.00 1.42 -0.14 0.00 -2.08 0.00 0.00 39.78 38.98 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 0.05 3.37 0.33 1.53 1.01 -1.26 -4.99 121.20 121.25 1k3j s ILE 81 Ca 0.29 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.38 1k3j s ILE 81 Cb 0.26 -2.58 0.28 0.00 0.01 0.00 0.00 42.46 40.43 1k3j s ILE 81 CO -0.14 0.36 1.96 0.28 0.00 0.00 0.00 174.94 177.39 1k3j h SER 82 N 8.11 0.78 0.15 3.58 0.02 -1.99 -0.06 113.55 124.14 1k3j h SER 82 Ca -0.39 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1k3j h SER 82 Cb 1.15 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1k3j h SER 82 CO 0.60 0.52 0.00 0.03 -1.14 0.00 0.00 176.83 176.84 1k3j h ARG 83 N 0.90 0.00 -6.21 3.45 2.47 -1.90 -3.42 114.38 109.67 1k3j h ARG 83 Ca 0.32 0.00 -0.65 0.00 -1.26 0.00 0.00 59.98 58.39 1k3j h ARG 83 Cb 0.13 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 28.33 1k3j h ARG 83 CO -0.10 0.00 -0.63 -0.51 0.56 0.00 0.00 179.97 179.29 1k3j s LEU 84 N -5.22 3.60 0.46 3.04 1.43 -0.04 -4.06 118.68 117.90 1k3j s LEU 84 Ca -0.02 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1k3j s LEU 84 Cb 0.09 -2.21 -0.00 0.00 0.03 0.00 0.00 46.19 44.10 1k3j s LEU 84 CO 0.32 0.22 0.68 -0.94 0.23 0.00 0.00 176.35 176.86 1k3j s SER 85 N -2.02 5.78 0.22 2.29 1.04 -1.26 -4.81 113.70 114.94 1k3j s SER 85 Ca 0.24 0.27 -0.16 0.00 0.48 0.00 0.00 55.95 56.78 1k3j s SER 85 Cb -0.12 -1.48 0.24 0.00 0.10 0.00 0.00 66.02 64.76 1k3j s SER 85 CO 0.16 -0.74 1.58 0.78 0.98 0.00 0.00 173.24 175.99 1k3j h ASN 86 N 0.36 -1.12 -3.17 7.02 2.35 -1.92 -1.85 115.58 117.26 1k3j h ASN 86 Ca -0.46 0.26 -0.62 0.00 -0.55 0.00 0.00 56.30 54.93 1k3j h ASN 86 Cb 1.26 0.61 -0.42 0.00 0.05 0.00 0.00 38.32 39.82 1k3j h ASN 86 CO 0.57 -0.29 -0.60 -0.54 -1.65 0.00 0.00 177.43 174.92 1k3j s LYS 87 N -6.07 2.32 0.14 0.81 1.02 -1.26 0.11 119.74 116.82 1k3j s LYS 87 Ca -0.14 -3.20 -0.17 0.00 0.02 0.00 0.00 55.97 52.48 1k3j s LYS 87 Cb 0.20 -3.29 -0.00 0.00 -0.52 0.00 0.00 37.83 34.22 1k3j s LYS 87 CO 0.72 -1.28 1.76 1.25 -0.92 0.00 0.00 175.35 176.88 1k3j h HIS 88 N 5.51 0.51 -3.71 3.18 2.76 0.21 -3.35 115.15 120.27 1k3j h HIS 88 Ca 0.13 -0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.20 1k3j h HIS 88 Cb 0.78 -0.17 -0.15 0.00 1.55 0.00 0.00 27.41 29.42 1k3j h HIS 88 CO 0.65 0.38 -0.39 -0.59 -1.30 0.00 0.00 177.93 176.68 1k3j s PHE 89 N -5.93 0.12 -0.00 5.26 -0.71 -0.41 0.15 117.98 116.45 1k3j s PHE 89 Ca -0.13 -0.46 0.02 0.00 -1.04 0.00 0.00 56.93 55.32 1k3j s PHE 89 Cb 0.10 -0.05 -0.01 0.00 -1.21 0.00 0.00 43.02 41.85 1k3j s PHE 89 CO 0.73 -0.49 -0.06 -1.14 -1.34 0.00 0.00 175.22 172.92 1k3j s GLN 90 N -3.31 0.47 -0.11 1.99 0.74 0.40 0.20 119.66 120.05 1k3j s GLN 90 Ca 0.01 -0.25 0.02 0.00 0.05 0.00 0.00 55.36 55.19 1k3j s GLN 90 Cb 0.02 -0.44 -0.01 0.00 1.10 0.00 0.00 33.01 33.69 1k3j s GLN 90 CO -0.08 0.12 -0.19 0.42 -0.55 0.00 0.00 175.29 175.01 1k3j s ILE 91 N -0.24 2.56 0.07 -2.34 1.01 0.39 0.18 121.20 122.83 1k3j s ILE 91 Ca 0.01 -0.85 0.08 0.00 0.00 0.00 0.00 60.65 59.89 1k3j s ILE 91 Cb -0.03 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.38 1k3j s ILE 91 CO -0.00 0.55 -0.19 -1.48 0.00 0.00 0.00 174.94 173.81 1k3j s LEU 92 N 0.23 2.59 -0.09 2.97 2.34 0.99 0.19 118.68 127.90 1k3j s LEU 92 Ca -0.12 -0.49 0.02 0.00 0.06 0.00 0.00 54.13 53.60 1k3j s LEU 92 Cb -0.16 -1.50 0.01 0.00 -0.56 0.00 0.00 46.19 43.98 1k3j s LEU 92 CO 0.07 0.23 -0.16 -0.22 -1.06 0.00 0.00 176.35 175.20 1k3j s LEU 93 N -1.66 1.78 0.00 1.48 2.96 -0.21 -0.49 118.68 122.54 1k3j s LEU 93 Ca 0.15 -0.42 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 1k3j s LEU 93 Cb -0.10 -1.08 0.00 0.00 0.50 0.00 0.00 46.19 45.51 1k3j s LEU 93 CO 0.06 0.05 0.00 0.61 -1.32 0.00 0.00 176.35 175.76 1k3j n GLY 94 N 3.92 0.09 3.13 7.98 0.00 -1.26 -0.61 105.19 118.44 1k3j n GLY 94 Ca -0.20 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 1k3j n GLY 94 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1k3j n GLU 95 N -0.64 -1.27 -1.00 1.61 2.13 -1.25 -4.64 120.64 115.57 1k3j n GLU 95 Ca 0.00 -0.37 -0.40 0.00 0.66 0.00 0.00 57.16 57.05 1k3j n GLU 95 Cb 0.00 -1.44 -0.06 0.00 0.27 0.00 0.00 31.44 30.21 1k3j n GLU 95 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1k3j n ASP 96 N -0.05 2.52 0.00 4.31 8.00 -1.26 -3.85 116.55 126.21 1k3j n ASP 96 Ca 0.01 -2.60 0.00 0.00 0.71 0.00 0.00 54.79 52.90 1k3j n ASP 96 Cb 0.58 -1.02 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 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 4.49 3.16 3.91 0.44 0.00 -1.26 -4.92 105.19 111.02 1k3j n GLY 97 Ca 0.48 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.40 4.23 0.26 1.61 -0.87 -1.25 -4.84 114.94 113.68 1k3j s ASN 98 Ca 0.00 0.58 0.11 0.00 -1.57 0.00 0.00 52.86 51.98 1k3j s ASN 98 Cb 0.00 -0.99 -0.05 0.00 -0.02 0.00 0.00 41.25 40.19 1k3j s ASN 98 CO 0.00 -2.05 -0.18 -0.76 -2.57 0.00 0.00 177.10 171.54 1k3j s LEU 99 N -5.59 2.58 -0.03 0.60 1.02 -1.26 -3.92 118.68 112.08 1k3j s LEU 99 Ca 0.65 -1.03 0.04 0.00 0.02 0.00 0.00 54.13 53.80 1k3j s LEU 99 Cb -0.09 -0.98 -0.00 0.00 0.02 0.00 0.00 46.19 45.13 1k3j s LEU 99 CO 0.49 -0.02 -0.14 -0.76 0.02 0.00 0.00 176.35 175.94 1k3j s LEU 100 N -3.46 1.89 -0.20 1.79 1.43 0.35 -1.15 118.68 119.35 1k3j s LEU 100 Ca 0.28 -0.28 -0.03 0.00 -1.03 0.00 0.00 54.13 53.08 1k3j s LEU 100 Cb -0.04 -0.78 -0.01 0.00 0.03 0.00 0.00 46.19 45.40 1k3j s LEU 100 CO 0.13 0.13 -0.07 -1.48 0.23 0.00 0.00 176.35 175.28 1k3j s LEU 101 N 0.01 2.82 -0.19 1.79 2.34 -0.41 -0.01 118.68 125.03 1k3j s LEU 101 Ca -0.02 -0.38 -0.02 0.00 0.06 0.00 0.00 54.13 53.78 1k3j s LEU 101 Cb -0.09 -1.70 -0.00 0.00 -0.56 0.00 0.00 46.19 43.84 1k3j s LEU 101 CO 0.01 0.03 -0.11 0.21 -1.06 0.00 0.00 176.35 175.43 1k3j s ASN 102 N 1.17 3.88 0.06 1.48 2.47 0.46 -2.40 114.94 122.07 1k3j s ASN 102 Ca 0.02 -0.46 -0.28 0.00 0.42 0.00 0.00 52.86 52.56 1k3j s ASN 102 Cb -0.14 -1.63 -0.05 0.00 -1.45 0.00 0.00 41.25 37.97 1k3j s ASN 102 CO -0.02 0.02 0.88 1.51 -3.72 0.00 0.00 177.10 175.78 1k3j s ASP 103 N 1.20 7.35 -0.20 -4.21 1.47 -1.24 0.15 116.67 121.18 1k3j s ASP 103 Ca 0.02 1.62 0.23 0.00 1.18 0.00 0.00 52.55 55.61 1k3j s ASP 103 Cb -0.14 -2.53 0.49 0.00 -0.34 0.00 0.00 42.92 40.39 1k3j s ASP 103 CO -0.04 -0.07 1.12 2.30 0.68 0.00 0.00 175.17 179.17 1k3j n ILE 104 N 3.00 1.03 -3.64 2.11 -5.35 -0.35 0.20 119.36 116.36 1k3j n ILE 104 Ca 0.01 -2.54 -0.26 0.00 -0.27 0.00 0.00 62.75 59.69 1k3j n ILE 104 Cb 0.50 1.19 -0.03 0.00 -1.74 0.00 0.00 39.64 39.57 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 -3.42 6.36 0.23 7.28 0.01 0.39 -4.16 113.70 120.40 1k3j s SER 105 Ca 0.29 0.40 -0.01 0.00 1.31 0.00 0.00 55.95 57.94 1k3j s SER 105 Cb 0.34 -2.01 0.24 0.00 0.21 0.00 0.00 66.02 64.80 1k3j s SER 105 CO -0.07 -0.11 1.62 0.74 0.41 0.00 0.00 173.24 175.83 1k3j h THR 106 N 1.33 1.29 0.00 1.44 2.02 -1.88 -3.22 112.91 113.89 1k3j h THR 106 Ca -0.49 -1.49 0.00 0.00 0.77 0.00 0.00 66.41 65.20 1k3j h THR 106 Cb 1.20 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 69.09 1k3j h THR 106 CO 0.66 0.47 -1.83 -0.46 0.37 0.00 0.00 175.52 174.73 1k3j n ASN 107 N -4.05 0.14 0.00 4.18 0.23 -1.26 -5.09 115.26 109.40 1k3j n ASN 107 Ca -0.01 0.02 0.00 0.00 -0.53 0.00 0.00 54.58 54.06 1k3j n ASN 107 Cb 0.49 1.75 0.00 0.00 -2.08 0.00 0.00 39.78 39.94 1k3j n ASN 107 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1k3j n GLY 108 N 1.26 3.20 3.36 4.83 0.00 -1.22 -4.95 105.19 111.67 1k3j n GLY 108 Ca -0.03 -1.98 -0.32 0.00 0.00 0.00 0.00 46.02 43.69 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 -2.80 2.48 0.08 2.61 2.01 -1.26 -4.42 115.64 114.34 1k3j s THR 109 Ca 0.00 -0.93 0.06 0.00 0.31 0.00 0.00 61.69 61.13 1k3j s THR 109 Cb 0.00 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 1k3j s THR 109 CO 0.00 0.58 -0.09 0.26 -0.69 0.00 0.00 174.62 174.68 1k3j s TRP 110 N -0.47 2.79 -0.21 4.92 0.51 0.43 -2.32 118.94 124.59 1k3j s TRP 110 Ca 0.05 -0.12 0.01 0.00 -2.12 0.00 0.00 56.10 53.92 1k3j s TRP 110 Cb -0.12 -1.48 0.05 0.00 -0.81 0.00 0.00 33.47 31.11 1k3j s TRP 110 CO 0.01 0.41 -0.10 -1.17 -0.51 0.00 0.00 176.95 175.60 1k3j s LEU 111 N -2.02 2.46 -1.67 2.99 2.96 0.95 0.15 118.68 124.49 1k3j s LEU 111 Ca 0.21 -0.99 -0.14 0.00 -0.22 0.00 0.00 54.13 52.99 1k3j s LEU 111 Cb -0.11 -1.26 0.12 0.00 0.50 0.00 0.00 46.19 45.44 1k3j s LEU 111 CO 0.13 -0.17 0.55 0.59 -1.32 0.00 0.00 176.35 176.13 1k3j n ASN 112 N 4.65 -1.72 0.00 3.68 3.02 -1.12 0.77 115.26 124.54 1k3j n ASN 112 Ca -0.14 -1.11 0.00 0.00 -0.03 0.00 0.00 54.58 53.30 1k3j n ASN 112 Cb 0.46 -2.34 0.00 0.00 -0.61 0.00 0.00 39.78 37.28 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 -1.62 1.98 3.46 7.41 0.00 -1.26 -5.01 105.19 110.15 1k3j n GLY 113 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.40 3.58 0.05 1.61 -1.52 0.23 -5.07 119.66 118.15 1k3j s GLN 114 Ca 0.00 -0.54 -0.31 0.00 -1.95 0.00 0.00 55.36 52.56 1k3j s GLN 114 Cb 0.00 -3.45 -0.06 0.00 -0.22 0.00 0.00 33.01 29.28 1k3j s GLN 114 CO 0.00 -0.27 1.29 0.21 -0.25 0.00 0.00 175.29 176.27 1k3j s LYS 115 N 1.63 4.37 0.38 2.91 2.20 -1.26 -0.03 119.74 129.93 1k3j s LYS 115 Ca 0.06 1.87 0.05 0.00 -0.36 0.00 0.00 55.97 57.60 1k3j s LYS 115 Cb -0.16 -3.39 -0.00 0.00 -1.51 0.00 0.00 37.83 32.77 1k3j s LYS 115 CO 0.05 -0.38 0.53 0.14 -0.36 0.00 0.00 175.35 175.33 1k3j s VAL 116 N 1.45 3.82 0.04 4.02 -7.23 -0.98 -4.93 120.40 116.59 1k3j s VAL 116 Ca 0.61 -0.90 -0.31 0.00 -1.81 0.00 0.00 61.98 59.58 1k3j s VAL 116 Cb -0.31 -3.33 -0.06 0.00 0.56 0.00 0.00 36.38 33.23 1k3j s VAL 116 CO 0.28 -0.15 1.41 -0.70 -0.31 0.00 0.00 175.10 175.63 1k3j s GLU 117 N -4.30 4.29 1.01 4.82 2.12 -1.26 -4.61 118.70 120.78 1k3j s GLU 117 Ca 0.48 2.02 -0.14 0.00 0.36 0.00 0.00 54.97 57.69 1k3j s GLU 117 Cb -0.10 -3.48 0.10 0.00 0.26 0.00 0.00 34.13 30.92 1k3j s GLU 117 CO 0.33 -0.54 0.48 1.17 -0.54 0.00 0.00 175.26 176.16 1k3j n LYS 118 N 4.93 -0.88 -3.08 4.30 4.81 -1.26 -2.22 118.16 124.76 1k3j n LYS 118 Ca 0.13 -0.22 -0.19 0.00 -0.87 0.00 0.00 58.31 57.16 1k3j n LYS 118 Cb 0.43 -1.93 -0.03 0.00 0.02 0.00 0.00 35.03 33.52 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 -2.24 -1.15 -4.57 3.14 3.02 0.52 -4.86 115.26 109.11 1k3j n ASN 119 Ca 0.06 -0.36 -0.32 0.00 -0.03 0.00 0.00 54.58 53.93 1k3j n ASN 119 Cb 0.56 -1.05 -0.11 0.00 -0.61 0.00 0.00 39.78 38.57 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 -2.23 4.48 -0.16 6.41 1.04 -0.94 -4.92 113.70 117.38 1k3j s SER 120 Ca 0.36 -0.21 -0.15 0.00 0.48 0.00 0.00 55.95 56.43 1k3j s SER 120 Cb -0.21 -0.98 -0.04 0.00 0.10 0.00 0.00 66.02 64.88 1k3j s SER 120 CO 0.44 0.27 0.34 0.20 0.98 0.00 0.00 173.24 175.47 1k3j s ASN 121 N -1.52 6.48 0.08 7.02 -0.87 -1.26 -3.73 114.94 121.15 1k3j s ASN 121 Ca 0.17 0.57 0.06 0.00 -1.57 0.00 0.00 52.86 52.09 1k3j s ASN 121 Cb -0.11 -2.21 -0.03 0.00 -0.02 0.00 0.00 41.25 38.88 1k3j s ASN 121 CO 0.08 0.06 -0.16 -1.10 -2.57 0.00 0.00 177.10 173.41 1k3j s GLN 122 N 0.59 0.91 0.13 -0.60 -1.52 -1.01 -4.93 119.66 113.23 1k3j s GLN 122 Ca 0.19 -1.01 -0.30 0.00 -1.95 0.00 0.00 55.36 52.28 1k3j s GLN 122 Cb -0.14 -0.99 -0.07 0.00 -0.22 0.00 0.00 33.01 31.60 1k3j s GLN 122 CO 0.05 0.22 1.23 -1.17 -0.25 0.00 0.00 175.29 175.38 1k3j s LEU 123 N -1.79 4.40 0.77 2.90 2.96 -1.26 -1.29 118.68 125.38 1k3j s LEU 123 Ca 0.00 2.17 -0.13 0.00 -0.22 0.00 0.00 54.13 55.96 1k3j s LEU 123 Cb -0.10 -3.59 0.06 0.00 0.50 0.00 0.00 46.19 43.06 1k3j s LEU 123 CO 0.03 -0.46 1.16 -0.22 -1.32 0.00 0.00 176.35 175.54 1k3j s LEU 124 N 0.48 3.17 0.16 -0.68 2.96 -0.30 -4.87 118.68 119.59 1k3j s LEU 124 Ca 0.57 2.18 0.09 0.00 -0.22 0.00 0.00 54.13 56.75 1k3j s LEU 124 Cb -0.32 -4.57 -0.04 0.00 0.50 0.00 0.00 46.19 41.76 1k3j s LEU 124 CO 0.33 -2.35 -0.19 -0.44 -1.32 0.00 0.00 176.35 172.37 1k3j s SER 125 N -2.48 2.73 -0.07 3.68 0.01 -1.26 -4.89 113.70 111.41 1k3j s SER 125 Ca 0.69 -0.83 -0.30 0.00 1.31 0.00 0.00 55.95 56.83 1k3j s SER 125 Cb -0.24 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 65.78 1k3j s SER 125 CO 0.49 -0.00 1.45 -1.10 0.41 0.00 0.00 173.24 174.49 1k3j s GLN 126 N -2.61 4.23 -1.91 12.44 -1.52 -1.26 -2.47 119.66 126.56 1k3j s GLN 126 Ca 0.14 1.95 0.00 0.00 -1.95 0.00 0.00 55.36 55.50 1k3j s GLN 126 Cb -0.07 -3.78 0.00 0.00 -0.22 0.00 0.00 33.01 28.94 1k3j s GLN 126 CO 0.06 -0.71 0.00 0.41 -0.25 0.00 0.00 175.29 174.80 1k3j n GLY 127 N 3.81 1.15 3.26 3.09 0.00 -0.93 -4.93 105.19 110.65 1k3j n GLY 127 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.40 -2.51 -3.77 1.61 2.03 -0.78 -4.45 116.55 107.28 1k3j n ASP 128 Ca -0.20 -0.24 -0.13 0.00 0.52 0.00 0.00 54.79 54.75 1k3j n ASP 128 Cb 0.64 -0.98 -0.13 0.00 -0.72 0.00 0.00 41.12 39.93 1k3j n ASP 128 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1k3j s GLU 129 N -3.71 0.19 -0.14 -0.67 2.12 -1.26 0.11 118.70 115.34 1k3j s GLU 129 Ca 0.56 0.36 -0.00 0.00 0.36 0.00 0.00 54.97 56.25 1k3j s GLU 129 Cb -0.13 -0.01 -0.01 0.00 0.26 0.00 0.00 34.13 34.24 1k3j s GLU 129 CO 0.61 -0.09 -0.14 0.42 -0.54 0.00 0.00 175.26 175.52 1k3j s ILE 130 N 0.63 2.89 -0.12 -3.70 1.01 0.37 -2.81 121.20 119.46 1k3j s ILE 130 Ca -0.04 -0.71 -0.05 0.00 0.00 0.00 0.00 60.65 59.85 1k3j s ILE 130 Cb -0.06 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 1k3j s ILE 130 CO -0.03 0.52 0.05 -0.89 0.00 0.00 0.00 174.94 174.59 1k3j s THR 131 N 0.57 4.74 0.05 2.92 2.01 0.39 0.28 115.64 126.60 1k3j s THR 131 Ca -0.09 -0.07 -0.01 0.00 0.31 0.00 0.00 61.69 61.83 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 0.57 -0.02 0.68 -0.69 0.00 0.00 174.62 175.19 1k3j s VAL 132 N -0.57 0.20 0.00 3.82 -7.23 0.31 0.16 120.40 117.09 1k3j s VAL 132 Ca 0.11 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 58.63 1k3j s VAL 132 Cb -0.12 -1.31 0.00 0.00 0.56 0.00 0.00 36.38 35.51 1k3j s VAL 132 CO 0.02 -0.91 0.00 0.61 -0.31 0.00 0.00 175.10 174.51 1k3j n GLY 133 N 0.35 0.92 3.75 2.32 0.00 -1.26 0.10 105.19 111.38 1k3j n GLY 133 Ca -0.16 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.59 4.05 0.00 1.61 1.01 -1.26 -3.45 120.40 119.77 1k3j s VAL 134 Ca 0.00 2.03 0.00 0.00 0.00 0.00 0.00 61.98 64.01 1k3j s VAL 134 Cb 0.00 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1k3j s VAL 134 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1k3j n GLY 135 N 1.38 2.07 3.11 4.51 0.00 -1.26 -4.99 105.19 110.00 1k3j n GLY 135 Ca -0.02 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 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 0.25 1.61 1.01 -1.26 -5.04 120.40 118.36 1k3j s VAL 136 Ca 0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.27 1k3j s VAL 136 Cb 0.00 -1.22 0.22 0.00 0.00 0.00 0.00 36.38 35.38 1k3j s VAL 136 CO 0.00 0.41 1.72 -0.08 0.00 0.00 0.00 175.10 177.14 1k3j h GLU 137 N 6.54 0.38 -0.33 2.72 4.81 -1.99 -0.75 114.58 125.96 1k3j h GLU 137 Ca -0.30 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1k3j h GLU 137 Cb 1.19 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1k3j h GLU 137 CO 0.48 0.25 0.00 0.45 -0.73 0.00 0.00 179.01 179.46 1k3j n SER 138 N -5.05 2.43 -0.79 1.04 2.88 -1.26 -4.19 113.62 108.68 1k3j n SER 138 Ca 0.15 -1.88 0.02 0.00 -1.33 0.00 0.00 58.87 55.83 1k3j n SER 138 Cb 0.44 -0.22 0.20 0.00 -0.75 0.00 0.00 64.21 63.89 1k3j n SER 138 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1k3j n ASP 139 N 0.82 2.04 -4.66 -3.46 2.03 -0.29 -5.00 116.55 108.03 1k3j n ASP 139 Ca 0.17 -3.82 -0.35 0.00 0.52 0.00 0.00 54.79 51.31 1k3j n ASP 139 Cb 0.42 -0.57 -0.10 0.00 -0.72 0.00 0.00 41.12 40.16 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 -3.22 4.22 -0.08 5.18 1.01 -1.22 -4.52 121.20 122.57 1k3j s ILE 140 Ca 0.40 -0.28 0.03 0.00 0.00 0.00 0.00 60.65 60.81 1k3j s ILE 140 Cb 0.38 -2.78 -0.02 0.00 0.01 0.00 0.00 42.46 40.06 1k3j s ILE 140 CO -0.04 0.60 -0.18 -0.22 0.00 0.00 0.00 174.94 175.10 1k3j s LEU 141 N -0.79 2.46 0.12 2.97 2.96 0.29 -4.96 118.68 121.73 1k3j s LEU 141 Ca 0.12 -0.37 0.08 0.00 -0.22 0.00 0.00 54.13 53.75 1k3j s LEU 141 Cb -0.11 -1.50 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 1k3j s LEU 141 CO 0.02 0.24 -0.14 -0.55 -1.32 0.00 0.00 176.35 174.60 1k3j s SER 142 N -0.11 4.10 0.01 3.68 0.15 -1.26 0.11 113.70 120.38 1k3j s SER 142 Ca -0.03 -0.50 0.02 0.00 0.70 0.00 0.00 55.95 56.14 1k3j s SER 142 Cb -0.14 -0.67 -0.01 0.00 -1.71 0.00 0.00 66.02 63.49 1k3j s SER 142 CO 0.04 0.17 -0.06 -0.76 1.20 0.00 0.00 173.24 173.83 1k3j s LEU 143 N -2.23 2.09 -0.10 3.45 2.01 0.14 -3.71 118.68 120.34 1k3j s LEU 143 Ca 0.20 -0.25 0.00 0.00 0.01 0.00 0.00 54.13 54.09 1k3j s LEU 143 Cb -0.11 -0.23 -0.03 0.00 0.01 0.00 0.00 46.19 45.84 1k3j s LEU 143 CO 0.12 -0.03 -0.08 -0.69 1.01 0.00 0.00 176.35 176.68 1k3j s VAL 144 N -0.55 3.53 -0.22 -1.59 1.01 0.30 0.14 120.40 123.02 1k3j s VAL 144 Ca -0.02 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 1k3j s VAL 144 Cb -0.05 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 1k3j s VAL 144 CO 0.00 0.56 0.05 -0.63 0.00 0.00 0.00 175.10 175.08 1k3j s ILE 145 N -0.32 4.32 -0.24 2.22 -1.09 0.30 0.10 121.20 126.49 1k3j s ILE 145 Ca 0.04 -0.18 -0.03 0.00 -2.23 0.00 0.00 60.65 58.25 1k3j s ILE 145 Cb -0.13 -2.98 0.01 0.00 -1.58 0.00 0.00 42.46 37.78 1k3j s ILE 145 CO 0.02 0.39 -0.04 0.12 -1.23 0.00 0.00 174.94 174.21 1k3j s PHE 146 N 1.11 3.03 0.03 3.97 2.19 0.38 -1.86 117.98 126.83 1k3j s PHE 146 Ca 0.04 -1.24 -0.25 0.00 0.33 0.00 0.00 56.93 55.81 1k3j s PHE 146 Cb -0.14 -2.10 -0.05 0.00 -1.31 0.00 0.00 43.02 39.41 1k3j s PHE 146 CO 0.03 -0.64 0.76 0.42 1.83 0.00 0.00 175.22 177.61 1k3j s ILE 147 N 1.41 4.77 -0.47 3.12 1.01 -1.26 0.15 121.20 129.92 1k3j s ILE 147 Ca 0.03 1.61 -0.27 0.00 0.00 0.00 0.00 60.65 62.01 1k3j s ILE 147 Cb -0.16 -4.10 0.03 0.00 0.01 0.00 0.00 42.46 38.24 1k3j s ILE 147 CO -0.03 0.35 1.05 0.21 0.00 0.00 0.00 174.94 176.52 1k3j s ASN 148 N 0.04 6.57 0.37 3.58 2.47 -1.19 -4.90 114.94 121.88 1k3j s ASN 148 Ca 0.38 0.30 0.04 0.00 0.42 0.00 0.00 52.86 54.00 1k3j s ASN 148 Cb -0.20 -2.51 0.71 0.00 -1.45 0.00 0.00 41.25 37.80 1k3j s ASN 148 CO 0.22 -1.17 2.00 -2.24 -3.72 0.00 0.00 177.10 172.19 1k3j h ASP 149 N 9.18 0.60 -0.62 -4.21 2.03 -1.94 -2.37 116.42 119.09 1k3j h ASP 149 Ca -0.23 -0.03 0.02 0.00 -0.73 0.00 0.00 57.03 56.06 1k3j h ASP 149 Cb 1.07 -0.15 -0.04 0.00 -0.83 0.00 0.00 39.33 39.38 1k3j h ASP 149 CO 1.09 0.47 0.39 0.50 -1.03 0.00 0.00 179.24 180.66 1k3j h LYS 150 N 0.69 0.75 -0.62 4.15 3.11 -1.94 -2.37 116.57 120.34 1k3j h LYS 150 Ca 0.18 -0.05 0.02 0.00 -2.81 0.00 0.00 60.65 57.99 1k3j h LYS 150 Cb -0.01 -0.17 -0.04 0.00 -1.00 0.00 0.00 32.23 31.01 1k3j h LYS 150 CO -0.03 0.50 0.40 0.35 -2.81 0.00 0.00 179.45 177.85 1k3j h PHE 151 N 0.77 0.75 -0.69 1.91 3.57 -1.66 -2.13 116.94 119.45 1k3j h PHE 151 Ca 0.25 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.81 1k3j h PHE 151 Cb -0.00 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.45 1k3j h PHE 151 CO -0.05 0.45 0.46 -0.22 -2.23 0.00 0.00 178.31 176.72 1k3j h LYS 152 N 0.79 0.77 -0.37 1.11 3.64 -1.29 -2.07 116.57 119.16 1k3j h LYS 152 Ca 0.24 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1k3j h LYS 152 Cb -0.03 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 1k3j h LYS 152 CO -0.08 0.51 0.24 1.96 -2.27 0.00 0.00 179.45 179.82 1k3j h GLN 153 N 0.80 0.48 -0.35 1.90 1.08 -0.95 0.32 115.11 118.39 1k3j h GLN 153 Ca 0.28 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.42 1k3j h GLN 153 Cb 0.12 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 1k3j h GLN 153 CO -0.08 0.32 0.07 0.00 -0.95 0.00 0.00 178.83 178.18 1k3j h LEU 155 N 0.41 1.04 -1.22 0.00 7.12 -1.19 0.92 115.31 122.38 1k3j h LEU 155 Ca 0.11 -0.29 -0.02 0.00 0.13 0.00 0.00 57.88 57.80 1k3j h LEU 155 Cb 0.33 -0.28 -0.03 0.00 -0.53 0.00 0.00 40.66 40.16 1k3j h LEU 155 CO 0.00 1.08 0.26 -0.33 -0.13 0.00 0.00 178.44 179.32 1k3j h GLU 156 N 0.97 0.80 0.11 1.25 4.39 -0.25 -3.01 114.58 118.84 1k3j h GLU 156 Ca 0.18 -0.10 -0.34 0.00 0.34 0.00 0.00 59.36 59.44 1k3j h GLU 156 Cb 0.53 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 1k3j h GLU 156 CO 0.03 0.63 -1.81 1.96 -1.16 0.00 0.00 179.01 178.66 1k3j h GLN 157 N 0.80 0.23 -6.55 2.33 4.20 -1.15 -3.49 115.11 111.47 1k3j h GLN 157 Ca 0.20 -0.39 -0.42 0.00 0.06 0.00 0.00 58.65 58.11 1k3j h GLN 157 Cb 0.10 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1k3j h GLN 157 CO -0.02 1.06 -0.99 0.27 -0.67 0.00 0.00 178.83 178.47 1k3j n ASN 158 N -3.40 -5.30 -4.58 1.46 0.23 0.32 -4.97 115.26 99.00 1k3j n ASN 158 Ca -0.25 -0.73 -0.32 0.00 -0.53 0.00 0.00 54.58 52.76 1k3j n ASN 158 Cb 1.05 -2.11 -0.11 0.00 -2.08 0.00 0.00 39.78 36.54 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 -4.32 2.49 -0.08 -3.83 2.36 -1.26 -5.09 119.74 110.00 1k3j s LYS 159 Ca 0.06 -0.76 -0.04 0.00 -2.55 0.00 0.00 55.97 52.68 1k3j s LYS 159 Cb -0.01 -2.46 -0.04 0.00 -1.05 0.00 0.00 37.83 34.27 1k3j s LYS 159 CO 0.88 0.59 0.09 0.54 1.55 0.00 0.00 175.35 178.99 1k3j s VAL 160 N -1.01 4.97 -0.08 4.02 0.11 -1.26 -5.00 120.40 122.15 1k3j s VAL 160 Ca 0.17 -0.06 0.24 0.00 -2.93 0.00 0.00 61.98 59.40 1k3j s VAL 160 Cb -0.11 -3.17 0.45 0.00 -1.53 0.00 0.00 36.38 32.02 1k3j s VAL 160 CO 0.08 0.56 1.16 -0.67 -3.33 0.00 0.00 175.10 172.90 1k3j n ASP 161 N 1.86 1.25 -1.48 3.54 2.03 -1.26 -4.82 116.55 117.67 1k3j n ASP 161 Ca -0.18 -2.13 -0.00 0.00 0.52 0.00 0.00 54.79 53.00 1k3j n ASP 161 Cb 0.54 -0.36 -0.00 0.00 -0.72 0.00 0.00 41.12 40.58 1k3j n ASP 161 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1k3j n ARG 162 N 0.12 0.17 -3.44 -0.67 1.74 -1.26 -5.10 116.66 108.23 1k3j n ARG 162 Ca 0.08 -1.75 -0.37 0.00 -0.77 0.00 0.00 57.85 55.03 1k3j n ARG 162 Cb 1.04 0.07 -0.06 0.00 -1.02 0.00 0.00 32.46 32.48 1k3j n ARG 162 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1k3j s ILE 163 N -0.26 5.24 0.00 0.55 1.10 -1.26 -5.30 121.20 121.27 1k3j s ILE 163 Ca 0.22 0.75 0.00 0.00 -0.51 0.00 0.00 60.65 61.10 1k3j s ILE 163 Cb 0.26 -3.72 0.00 0.00 0.15 0.00 0.00 42.46 39.15 1k3j s ILE 163 CO -0.10 0.37 0.00 -1.14 -2.11 0.00 0.00 174.94 171.96