#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 -0.13 0.00 5.66 -1.26 -4.77 114.28 113.77 1k3j n THR 15 Ca 0.00 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.92 1k3j n THR 15 Cb 0.00 -0.40 0.00 0.00 -1.55 0.00 0.00 70.33 68.38 1k3j n THR 15 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 1k3j h GLN 16 N 0.00 0.56 -0.24 1.09 4.20 -2.06 -1.59 115.11 117.07 1k3j h GLN 16 Ca 0.00 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.68 1k3j h GLN 16 Cb 0.05 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1k3j h GLN 16 CO 0.00 0.40 0.12 0.00 -0.67 0.00 0.00 178.83 178.68 1k3j h ARG 17 N 0.55 0.25 -0.53 1.46 3.08 -2.01 -2.12 114.38 115.07 1k3j h ARG 17 Ca 0.15 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.20 1k3j h ARG 17 Cb -0.02 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 1k3j h ARG 17 CO -0.03 0.17 0.35 0.74 -1.07 0.00 0.00 179.97 180.13 1k3j h PHE 18 N 0.26 0.63 -0.57 3.04 0.04 -1.81 -2.10 116.94 116.42 1k3j h PHE 18 Ca 0.09 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.88 1k3j h PHE 18 Cb 0.02 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 37.93 1k3j h PHE 18 CO -0.09 0.38 0.35 1.25 -0.60 0.00 0.00 178.31 179.61 1k3j h LEU 19 N 0.67 0.69 -0.95 1.54 6.46 -0.62 -2.46 115.31 120.63 1k3j h LEU 19 Ca 0.20 -0.05 -0.09 0.00 -0.12 0.00 0.00 57.88 57.82 1k3j h LEU 19 Cb -0.00 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 39.74 1k3j h LEU 19 CO -0.05 0.54 -0.18 0.40 -0.62 0.00 0.00 178.44 178.52 1k3j h ILE 20 N 0.77 1.25 -0.97 4.05 1.08 -1.06 -2.79 117.51 119.85 1k3j h ILE 20 Ca 0.21 -1.18 0.07 0.00 -0.39 0.00 0.00 64.86 63.57 1k3j h ILE 20 Cb -0.03 1.22 -0.06 0.00 -3.07 0.00 0.00 36.82 34.88 1k3j h ILE 20 CO -0.04 0.38 0.63 -0.33 -0.69 0.00 0.00 178.15 178.10 1k3j h GLU 21 N 0.50 1.08 0.00 2.37 5.08 -0.96 0.14 114.58 122.79 1k3j h GLU 21 Ca 0.08 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1k3j h GLU 21 Cb 0.60 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1k3j h GLU 21 CO 0.04 0.72 -0.14 -0.22 -1.00 0.00 0.00 179.01 178.41 1k3j h LYS 22 N 1.11 0.00 -0.37 2.33 3.64 -1.27 -2.38 116.57 119.63 1k3j h LYS 22 Ca 0.42 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.84 1k3j h LYS 22 Cb 0.20 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 1k3j h LYS 22 CO -0.17 0.14 0.13 0.35 -2.27 0.00 0.00 179.45 177.63 1k3j h PHE 23 N 0.00 0.24 0.22 1.91 3.57 -0.65 -2.94 116.94 119.29 1k3j h PHE 23 Ca -0.00 0.02 -0.33 0.00 3.53 0.00 0.00 57.97 61.19 1k3j h PHE 23 Cb 0.47 -0.05 0.03 0.00 2.79 0.00 0.00 35.95 39.18 1k3j h PHE 23 CO 0.00 0.10 -1.49 0.77 -2.23 0.00 0.00 178.31 175.46 1k3j h SER 24 N 0.29 0.73 -3.03 0.41 0.02 -1.55 -3.48 113.55 106.95 1k3j h SER 24 Ca 0.17 -0.83 -0.41 0.00 -0.84 0.00 0.00 61.79 59.88 1k3j h SER 24 Cb 0.14 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1k3j h SER 24 CO -0.17 1.66 -0.53 0.00 -1.14 0.00 0.00 176.83 176.65 1k3j n GLN 25 N -3.66 -1.85 -3.95 3.45 1.13 -0.91 -4.98 117.38 106.62 1k3j n GLN 25 Ca -0.17 0.99 -0.36 0.00 -1.94 0.00 0.00 57.00 55.53 1k3j n GLN 25 Cb 1.09 -5.65 -0.06 0.00 0.11 0.00 0.00 30.24 25.72 1k3j n GLN 25 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1k3j s GLU 26 N -5.07 3.37 0.03 -1.09 2.02 -1.26 -5.10 118.70 111.60 1k3j s GLU 26 Ca 0.02 -0.22 -0.13 0.00 0.02 0.00 0.00 54.97 54.66 1k3j s GLU 26 Cb -0.01 -3.11 -0.06 0.00 0.10 0.00 0.00 34.13 31.06 1k3j s GLU 26 CO 0.02 0.74 0.40 -0.65 0.02 0.00 0.00 175.26 175.80 1k3j s GLN 27 N -1.25 3.84 0.17 1.61 -0.21 -1.26 -5.07 119.66 117.50 1k3j s GLN 27 Ca 0.18 0.31 -0.28 0.00 0.02 0.00 0.00 55.36 55.59 1k3j s GLN 27 Cb -0.12 -3.12 -0.08 0.00 1.00 0.00 0.00 33.01 30.70 1k3j s GLN 27 CO 0.08 0.63 0.87 0.42 -2.12 0.00 0.00 175.29 175.17 1k3j s ILE 28 N -1.22 4.32 0.00 1.08 -1.09 -1.26 -4.90 121.20 118.13 1k3j s ILE 28 Ca 0.28 1.91 0.00 0.00 -2.23 0.00 0.00 60.65 60.61 1k3j s ILE 28 Cb -0.15 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.48 1k3j s ILE 28 CO 0.15 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 174.93 1k3j n GLY 29 N 1.77 1.47 0.17 6.18 0.00 -1.26 -4.97 105.19 108.54 1k3j n GLY 29 Ca -0.02 0.47 -0.02 0.00 0.00 0.00 0.00 46.02 46.45 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 0.11 0.00 1.61 5.08 -2.01 -3.41 114.58 115.96 1k3j h GLU 30 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1k3j h GLU 30 Cb 0.00 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1k3j h GLU 30 CO 0.00 0.61 0.00 0.09 -1.00 0.00 0.00 179.01 178.71 1k3j n ASN 31 N -3.92 0.00 -4.75 1.42 3.02 -1.26 -5.11 115.26 104.66 1k3j n ASN 31 Ca -0.02 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.13 1k3j n ASN 31 Cb 0.55 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.68 1k3j n ASN 31 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1k3j s ILE 32 N 0.00 3.70 -0.15 2.41 -1.09 -1.26 -1.14 121.20 123.67 1k3j s ILE 32 Ca 0.00 1.55 -0.11 0.00 -2.23 0.00 0.00 60.65 59.85 1k3j s ILE 32 Cb 0.00 -3.99 -0.05 0.00 -1.58 0.00 0.00 42.46 36.84 1k3j s ILE 32 CO 0.00 0.30 -0.13 0.52 -1.23 0.00 0.00 174.94 174.40 1k3j n VAL 33 N 1.98 1.44 -3.84 2.92 0.31 0.36 -4.41 118.33 117.08 1k3j n VAL 33 Ca 0.02 0.18 -0.09 0.00 -0.01 0.00 0.00 64.34 64.43 1k3j n VAL 33 Cb 0.45 -2.34 -0.06 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 -3.90 1.47 -0.22 0.00 3.52 0.34 -0.12 118.95 120.05 1k3j s ARG 35 Ca 0.10 -0.58 -0.05 0.00 -0.13 0.00 0.00 55.73 55.07 1k3j s ARG 35 Cb 0.03 -1.37 -0.02 0.00 -1.56 0.00 0.00 34.95 32.03 1k3j s ARG 35 CO -0.05 0.30 0.01 0.08 -0.81 0.00 0.00 175.30 174.83 1k3j s VAL 36 N -0.20 3.96 -0.14 7.11 1.01 -1.13 0.18 120.40 131.17 1k3j s VAL 36 Ca 0.02 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.71 1k3j s VAL 36 Cb -0.08 -2.81 0.02 0.00 0.00 0.00 0.00 36.38 33.51 1k3j s VAL 36 CO 0.00 0.40 -0.16 -0.63 0.00 0.00 0.00 175.10 174.72 1k3j s ILE 37 N 1.24 1.65 -0.74 2.22 1.01 0.27 -2.87 121.20 123.99 1k3j s ILE 37 Ca 0.04 -0.70 -0.27 0.00 0.00 0.00 0.00 60.65 59.72 1k3j s ILE 37 Cb -0.15 -1.53 0.03 0.00 0.01 0.00 0.00 42.46 40.83 1k3j s ILE 37 CO 0.01 0.47 1.27 0.00 0.00 0.00 0.00 174.94 176.69 1k3j h THR 39 N 6.03 0.82 0.00 0.00 1.35 -1.90 -1.42 112.91 117.78 1k3j h THR 39 Ca -0.28 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 1k3j h THR 39 Cb 1.05 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1k3j h THR 39 CO 1.28 0.14 0.00 0.35 -0.25 0.00 0.00 175.52 177.03 1k3j n THR 40 N -3.97 0.00 -2.82 6.82 -2.24 -1.25 -4.95 114.28 105.87 1k3j n THR 40 Ca -0.02 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.72 1k3j n THR 40 Cb 0.23 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 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 1.09 -1.22 1.51 3.38 0.00 -0.54 -4.99 105.19 104.44 1k3j n GLY 41 Ca 0.20 0.81 0.00 0.00 0.00 0.00 0.00 46.02 47.03 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 -0.96 0.00 -4.15 1.61 6.02 -1.26 -5.11 117.38 113.53 1k3j n GLN 42 Ca 0.06 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.70 1k3j n GLN 42 Cb 0.46 -0.10 -0.08 0.00 1.02 0.00 0.00 30.24 31.54 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 -1.76 4.77 0.26 5.09 -1.09 -1.26 -4.71 121.20 122.50 1k3j s ILE 43 Ca 0.00 -0.18 -0.29 0.00 -2.23 0.00 0.00 60.65 57.95 1k3j s ILE 43 Cb 0.00 -3.08 -0.09 0.00 -1.58 0.00 0.00 42.46 37.71 1k3j s ILE 43 CO 0.00 0.53 1.19 -2.16 -1.23 0.00 0.00 174.94 173.27 1k3j s PRO 44 N -1.20 4.51 0.20 2.79 0.04 -1.26 -4.30 135.00 135.78 1k3j s PRO 44 Ca 0.17 1.95 -0.33 0.00 0.04 0.00 0.00 61.00 62.83 1k3j s PRO 44 Cb -0.12 -3.17 -0.13 0.00 0.04 0.00 0.00 34.50 31.11 1k3j s PRO 44 CO 0.06 -0.00 1.53 -0.89 0.04 0.00 0.00 177.00 177.74 1k3j n ILE 45 N 1.56 0.40 -4.46 0.56 5.41 -1.26 -4.91 119.36 116.66 1k3j n ILE 45 Ca 0.01 -0.10 -0.23 0.00 1.00 0.00 0.00 62.75 63.44 1k3j n ILE 45 Cb 0.44 -1.56 -0.10 0.00 -0.71 0.00 0.00 39.64 37.70 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 0.36 1.62 -0.14 0.38 6.06 -1.14 -5.04 118.95 121.06 1k3j s ARG 46 Ca 0.74 -1.82 0.00 0.00 -2.50 0.00 0.00 55.73 52.15 1k3j s ARG 46 Cb -0.65 -1.33 0.02 0.00 0.06 0.00 0.00 34.95 33.06 1k3j s ARG 46 CO 0.42 0.08 -0.13 -0.51 -2.50 0.00 0.00 175.30 172.67 1k3j s ASP 47 N -3.49 2.61 -0.13 -2.12 1.11 -1.26 -2.85 116.67 110.55 1k3j s ASP 47 Ca 0.30 -0.47 -0.18 0.00 0.18 0.00 0.00 52.55 52.39 1k3j s ASP 47 Cb 0.03 -1.11 -0.04 0.00 1.07 0.00 0.00 42.92 42.87 1k3j s ASP 47 CO 0.13 -0.07 0.46 -0.76 1.18 0.00 0.00 175.17 176.11 1k3j s LEU 48 N 1.53 4.26 0.05 1.23 1.02 0.83 -5.00 118.68 122.60 1k3j s LEU 48 Ca 0.05 0.77 0.00 0.00 0.02 0.00 0.00 54.13 54.97 1k3j s LEU 48 Cb -0.13 -2.67 -0.03 0.00 0.02 0.00 0.00 46.19 43.38 1k3j s LEU 48 CO -0.10 -0.01 -0.04 -0.94 0.02 0.00 0.00 176.35 175.28 1k3j s SER 49 N 0.66 0.64 -0.17 2.29 1.04 -1.26 0.13 113.70 117.03 1k3j s SER 49 Ca 0.25 -0.83 -0.19 0.00 0.48 0.00 0.00 55.95 55.66 1k3j s SER 49 Cb -0.15 0.13 0.05 0.00 0.10 0.00 0.00 66.02 66.15 1k3j s SER 49 CO 0.10 -0.45 0.52 0.00 0.98 0.00 0.00 173.24 174.38 1k3j s ALA 50 N -2.97 -1.29 0.04 5.32 0.00 -0.29 -4.77 121.76 117.80 1k3j s ALA 50 Ca 0.01 1.35 -0.28 0.00 0.00 0.00 0.00 51.96 53.04 1k3j s ALA 50 Cb 0.01 -0.69 -0.05 0.00 0.00 0.00 0.00 23.12 22.39 1k3j s ALA 50 CO -0.05 -0.26 0.87 -0.51 0.00 0.00 0.00 175.76 175.80 1k3j s ASP 51 N -0.01 7.31 0.19 0.00 1.01 -1.26 -4.71 116.67 119.19 1k3j s ASP 51 Ca -0.02 1.57 -0.10 0.00 0.71 0.00 0.00 52.55 54.71 1k3j s ASP 51 Cb -0.03 -2.52 0.10 0.00 1.01 0.00 0.00 42.92 41.47 1k3j s ASP 51 CO 0.02 -0.09 1.71 0.40 0.21 0.00 0.00 175.17 177.42 1k3j h ILE 52 N 4.34 1.25 -0.89 0.77 5.03 -1.99 -2.80 117.51 123.22 1k3j h ILE 52 Ca -0.43 -0.91 0.09 0.00 -0.12 0.00 0.00 64.86 63.50 1k3j h ILE 52 Cb 1.21 0.59 -0.06 0.00 -3.03 0.00 0.00 36.82 35.52 1k3j h ILE 52 CO 0.73 0.35 0.58 -1.28 -0.68 0.00 0.00 178.15 177.84 1k3j h SER 53 N 0.97 0.82 -0.44 1.72 0.87 -1.98 0.22 113.55 115.74 1k3j h SER 53 Ca 0.21 0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.66 1k3j h SER 53 Cb 0.33 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1k3j h SER 53 CO -0.00 0.49 -0.25 1.56 -0.53 0.00 0.00 176.83 178.10 1k3j h GLN 54 N 0.91 0.94 -0.41 2.24 1.08 -1.92 -1.45 115.11 116.49 1k3j h GLN 54 Ca 0.41 -0.43 -0.10 0.00 -1.45 0.00 0.00 58.65 57.08 1k3j h GLN 54 Cb 0.36 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 1k3j h GLN 54 CO -0.17 1.09 -0.13 0.28 -0.95 0.00 0.00 178.83 178.95 1k3j h VAL 55 N 0.77 1.28 0.00 -0.54 2.07 -0.96 0.61 116.25 119.48 1k3j h VAL 55 Ca 0.09 -1.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.33 1k3j h VAL 55 Cb 0.83 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1k3j h VAL 55 CO 0.07 0.42 -0.20 0.25 0.02 0.00 0.00 177.57 178.12 1k3j h LEU 56 N 0.63 0.00 0.08 2.57 5.85 -0.57 -3.23 115.31 120.64 1k3j h LEU 56 Ca 0.10 0.00 -0.36 0.00 0.84 0.00 0.00 57.88 58.46 1k3j h LEU 56 Cb 0.67 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1k3j h LEU 56 CO 0.05 0.20 -2.04 0.29 -0.34 0.00 0.00 178.44 176.60 1k3j n LYS 57 N -3.38 0.71 -1.77 1.25 5.02 -0.55 -4.86 118.16 114.58 1k3j n LYS 57 Ca 0.00 0.28 -0.43 0.00 -2.02 0.00 0.00 58.31 56.14 1k3j n LYS 57 Cb 0.41 -1.66 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 1k3j n LYS 57 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1k3j s GLU 58 N -2.53 3.50 0.36 1.97 2.56 0.21 -4.85 118.70 119.94 1k3j s GLU 58 Ca -0.27 2.01 0.19 0.00 0.00 0.00 0.00 54.97 56.90 1k3j s GLU 58 Cb 0.07 -4.24 0.59 0.00 2.00 0.00 0.00 34.13 32.55 1k3j s GLU 58 CO 0.70 -1.67 1.69 -0.22 -0.56 0.00 0.00 175.26 175.19 1k3j h LYS 59 N 13.00 0.00 -6.94 4.30 3.11 -1.88 -3.46 116.57 124.71 1k3j h LYS 59 Ca -0.41 0.00 -0.53 0.00 -2.81 0.00 0.00 60.65 56.90 1k3j h LYS 59 Cb 1.21 0.00 0.20 0.00 -1.00 0.00 0.00 32.23 32.65 1k3j h LYS 59 CO 0.97 0.38 -0.23 -2.13 -2.81 0.00 0.00 179.45 175.63 1k3j n ARG 60 N -3.44 -0.16 -0.07 1.90 0.63 -1.26 -4.92 116.66 109.34 1k3j n ARG 60 Ca 0.00 0.01 -0.12 0.00 -0.92 0.00 0.00 57.85 56.82 1k3j n ARG 60 Cb 0.54 -2.06 0.01 0.00 0.45 0.00 0.00 32.46 31.41 1k3j n ARG 60 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1k3j h SER 61 N -1.35 0.87 -2.89 6.15 0.87 -2.01 -3.45 113.55 111.75 1k3j h SER 61 Ca -0.44 -0.42 -0.58 0.00 -1.23 0.00 0.00 61.79 59.12 1k3j h SER 61 Cb 1.29 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.97 1k3j h SER 61 CO 0.39 1.18 -0.43 -0.51 -0.53 0.00 0.00 176.83 176.93 1k3j s ILE 62 N -4.27 5.30 0.04 2.23 1.10 -1.26 -4.14 121.20 120.21 1k3j s ILE 62 Ca -0.10 -0.35 0.00 0.00 -0.51 0.00 0.00 60.65 59.69 1k3j s ILE 62 Cb 0.11 -3.67 0.00 0.00 0.15 0.00 0.00 42.46 39.06 1k3j s ILE 62 CO 0.87 0.02 0.00 0.29 -2.11 0.00 0.00 174.94 174.01 1k3j n LYS 63 N -0.07 0.00 -3.77 3.50 4.01 -0.91 -4.99 118.16 115.93 1k3j n LYS 63 Ca -0.05 0.00 -0.13 0.00 -0.51 0.00 0.00 58.31 57.62 1k3j n LYS 63 Cb 0.52 -0.20 -0.14 0.00 -0.51 0.00 0.00 35.03 34.70 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 -1.42 0.13 -0.02 1.97 2.20 -1.17 -5.02 119.74 116.41 1k3j s LYS 64 Ca 0.00 0.34 0.04 0.00 -0.36 0.00 0.00 55.97 55.99 1k3j s LYS 64 Cb 0.00 -0.09 -0.01 0.00 -1.51 0.00 0.00 37.83 36.22 1k3j s LYS 64 CO 0.00 -0.12 -0.15 0.08 -0.36 0.00 0.00 175.35 174.80 1k3j s VAL 65 N 0.83 1.22 -0.11 4.02 1.01 -1.26 -0.96 120.40 125.15 1k3j s VAL 65 Ca -0.06 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 1k3j s VAL 65 Cb -0.08 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1k3j s VAL 65 CO -0.04 0.35 0.10 0.26 0.00 0.00 0.00 175.10 175.77 1k3j s TRP 66 N -0.13 3.48 -0.12 5.22 0.51 0.50 -4.88 118.94 123.52 1k3j s TRP 66 Ca 0.01 0.43 -0.00 0.00 -2.12 0.00 0.00 56.10 54.43 1k3j s TRP 66 Cb -0.08 -1.91 -0.02 0.00 -0.81 0.00 0.00 33.47 30.65 1k3j s TRP 66 CO 0.01 0.65 -0.11 0.99 -0.51 0.00 0.00 176.95 177.98 1k3j s THR 67 N -0.95 3.22 0.06 2.01 2.01 -1.26 0.16 115.64 120.90 1k3j s THR 67 Ca 0.14 -0.61 0.09 0.00 0.31 0.00 0.00 61.69 61.62 1k3j s THR 67 Cb -0.12 -2.35 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 1k3j s THR 67 CO 0.03 0.54 -0.26 -0.36 -0.69 0.00 0.00 174.62 173.88 1k3j s PHE 68 N 0.10 2.28 -4.84 4.92 0.40 0.41 0.23 117.98 121.49 1k3j s PHE 68 Ca -0.05 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.88 1k3j s PHE 68 Cb -0.14 -1.34 0.00 0.00 0.51 0.00 0.00 43.02 42.04 1k3j s PHE 68 CO 0.04 0.16 0.00 0.41 0.70 0.00 0.00 175.22 176.53 1k3j n GLY 69 N 1.63 -1.12 1.61 4.36 0.00 -0.96 0.20 105.19 110.90 1k3j n GLY 69 Ca -0.17 -1.18 -0.09 0.00 0.00 0.00 0.00 46.02 44.57 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 1.47 -5.13 1.61 1.74 0.33 -2.64 116.66 114.04 1k3j n ARG 70 Ca 0.00 -0.98 -0.32 0.00 -0.77 0.00 0.00 57.85 55.78 1k3j n ARG 70 Cb 0.00 -1.39 -0.16 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 0.61 3.33 0.44 0.55 2.47 -0.71 -4.74 114.94 116.88 1k3j s ASN 71 Ca 0.19 -0.47 0.30 0.00 0.42 0.00 0.00 52.86 53.30 1k3j s ASN 71 Cb 0.15 -1.21 1.50 0.00 -1.45 0.00 0.00 41.25 40.24 1k3j s ASN 71 CO 0.01 0.20 1.92 -0.65 -3.72 0.00 0.00 177.10 174.86 1k3j h PRO 72 N 6.39 0.00 0.17 0.43 0.11 -1.91 -1.75 132.00 135.43 1k3j h PRO 72 Ca -0.27 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.57 1k3j h PRO 72 Cb 1.21 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.33 1k3j h PRO 72 CO 0.49 0.00 -1.32 0.00 -0.21 0.00 0.00 178.00 176.96 1k3j h ALA 73 N 2.06 0.02 -1.22 -0.75 0.00 -1.94 -3.47 119.26 113.97 1k3j h ALA 73 Ca 0.00 -0.94 -0.66 0.00 0.00 0.00 0.00 54.91 53.31 1k3j h ALA 73 Cb 0.17 0.31 0.11 0.00 0.00 0.00 0.00 17.79 18.38 1k3j h ALA 73 CO 0.00 0.71 -0.35 0.00 0.00 0.00 0.00 179.25 179.61 1k3j h ASP 75 N 1.36 0.00 -3.22 0.00 5.19 0.26 -3.37 116.42 116.65 1k3j h ASP 75 Ca -0.32 0.00 -0.54 0.00 -0.62 0.00 0.00 57.03 55.55 1k3j h ASP 75 Cb 1.42 0.00 -0.37 0.00 0.18 0.00 0.00 39.33 40.56 1k3j h ASP 75 CO 0.58 0.00 -0.80 -0.47 -3.12 0.00 0.00 179.24 175.43 1k3j s TYR 76 N -3.91 1.58 -0.45 4.55 5.04 -0.39 -4.93 117.35 118.84 1k3j s TYR 76 Ca -0.03 -0.86 -0.17 0.00 -2.44 0.00 0.00 57.07 53.56 1k3j s TYR 76 Cb 0.09 -1.28 0.04 0.00 0.35 0.00 0.00 41.96 41.16 1k3j s TYR 76 CO 0.28 -0.55 0.48 -1.58 -1.34 0.00 0.00 175.55 172.83 1k3j s HIS 77 N 1.68 3.15 0.42 4.97 2.46 -1.26 -2.26 115.29 124.45 1k3j s HIS 77 Ca 0.04 -0.53 0.07 0.00 0.47 0.00 0.00 55.06 55.10 1k3j s HIS 77 Cb -0.13 -3.11 -0.06 0.00 -0.13 0.00 0.00 32.58 29.14 1k3j s HIS 77 CO -0.08 -0.81 0.12 -0.48 -2.47 0.00 0.00 174.74 171.02 1k3j s LEU 78 N 2.16 2.98 0.48 8.88 2.34 -1.08 -4.63 118.68 129.81 1k3j s LEU 78 Ca 0.11 -1.21 -0.24 0.00 0.06 0.00 0.00 54.13 52.85 1k3j s LEU 78 Cb -0.19 -1.21 -0.07 0.00 -0.56 0.00 0.00 46.19 44.16 1k3j s LEU 78 CO 0.12 -0.54 1.32 0.61 -1.06 0.00 0.00 176.35 176.80 1k3j n GLY 79 N -1.16 0.69 3.56 -3.48 0.00 -1.26 -4.58 105.19 98.96 1k3j n GLY 79 Ca -0.03 0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.68 5.38 -0.20 1.61 4.22 -1.26 -4.74 114.94 119.27 1k3j s ASN 80 Ca 0.65 -0.92 -0.06 0.00 -2.14 0.00 0.00 52.86 50.39 1k3j s ASN 80 Cb -0.46 -2.56 -0.03 0.00 1.28 0.00 0.00 41.25 39.48 1k3j s ASN 80 CO 0.54 -2.55 0.03 -0.63 -2.04 0.00 0.00 177.10 172.46 1k3j s ILE 81 N 9.24 4.27 0.38 0.54 1.01 -1.26 -4.99 121.20 130.40 1k3j s ILE 81 Ca 0.66 -0.21 0.11 0.00 0.00 0.00 0.00 60.65 61.21 1k3j s ILE 81 Cb -0.05 -2.94 0.33 0.00 0.01 0.00 0.00 42.46 39.81 1k3j s ILE 81 CO -0.01 0.42 1.91 0.77 0.00 0.00 0.00 174.94 178.03 1k3j h SER 82 N 7.35 0.55 0.17 3.58 4.64 -2.00 0.19 113.55 128.04 1k3j h SER 82 Ca -0.36 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 60.95 1k3j h SER 82 Cb 1.18 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1k3j h SER 82 CO 0.63 0.30 -0.17 0.03 -0.87 0.00 0.00 176.83 176.75 1k3j h ARG 83 N 0.60 0.00 -5.92 4.77 2.47 -1.94 -3.42 114.38 110.93 1k3j h ARG 83 Ca 0.39 0.00 -0.61 0.00 -1.26 0.00 0.00 59.98 58.50 1k3j h ARG 83 Cb 0.68 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.96 1k3j h ARG 83 CO -0.15 0.17 -0.50 -0.51 0.56 0.00 0.00 179.97 179.54 1k3j s LEU 84 N -8.64 4.36 0.39 3.04 1.43 0.67 -4.29 118.68 115.64 1k3j s LEU 84 Ca -0.04 0.26 0.05 0.00 -1.03 0.00 0.00 54.13 53.38 1k3j s LEU 84 Cb 0.16 -2.96 0.00 0.00 0.03 0.00 0.00 46.19 43.42 1k3j s LEU 84 CO 0.69 0.16 0.55 -0.94 0.23 0.00 0.00 176.35 177.04 1k3j s SER 85 N -2.58 5.81 0.22 2.29 1.04 -1.26 -4.63 113.70 114.59 1k3j s SER 85 Ca 0.35 -0.16 -0.16 0.00 0.48 0.00 0.00 55.95 56.46 1k3j s SER 85 Cb -0.13 -1.11 0.25 0.00 0.10 0.00 0.00 66.02 65.13 1k3j s SER 85 CO 0.28 -0.62 1.58 0.78 0.98 0.00 0.00 173.24 176.24 1k3j h ASN 86 N 0.68 -1.09 -3.36 7.02 2.35 -1.92 -2.09 115.58 117.17 1k3j h ASN 86 Ca -0.44 0.26 -0.63 0.00 -0.55 0.00 0.00 56.30 54.94 1k3j h ASN 86 Cb 1.27 0.60 -0.41 0.00 0.05 0.00 0.00 38.32 39.83 1k3j h ASN 86 CO 0.51 -0.29 -0.53 -0.54 -1.65 0.00 0.00 177.43 174.93 1k3j s LYS 87 N -6.08 2.46 0.17 0.81 1.02 -1.26 0.12 119.74 116.99 1k3j s LYS 87 Ca -0.14 -3.21 -0.14 0.00 0.02 0.00 0.00 55.97 52.49 1k3j s LYS 87 Cb 0.20 -3.46 0.08 0.00 -0.52 0.00 0.00 37.83 34.12 1k3j s LYS 87 CO 0.72 -1.25 1.80 1.25 -0.92 0.00 0.00 175.35 176.96 1k3j h HIS 88 N 5.66 0.51 -3.70 3.18 2.76 0.26 -3.32 115.15 120.51 1k3j h HIS 88 Ca 0.11 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.21 1k3j h HIS 88 Cb 0.78 -0.16 -0.13 0.00 1.55 0.00 0.00 27.41 29.45 1k3j h HIS 88 CO 0.66 0.29 -0.25 -0.59 -1.30 0.00 0.00 177.93 176.74 1k3j s PHE 89 N -6.15 0.13 -0.00 5.26 -0.71 -0.36 0.19 117.98 116.34 1k3j s PHE 89 Ca -0.13 -0.51 0.02 0.00 -1.04 0.00 0.00 56.93 55.27 1k3j s PHE 89 Cb 0.12 0.05 -0.01 0.00 -1.21 0.00 0.00 43.02 41.98 1k3j s PHE 89 CO 0.73 -0.67 -0.05 -1.14 -1.34 0.00 0.00 175.22 172.75 1k3j s GLN 90 N -3.89 0.40 -0.13 1.99 0.74 0.42 0.16 119.66 119.35 1k3j s GLN 90 Ca 0.09 -0.22 0.00 0.00 0.05 0.00 0.00 55.36 55.28 1k3j s GLN 90 Cb 0.03 -0.37 -0.01 0.00 1.10 0.00 0.00 33.01 33.77 1k3j s GLN 90 CO -0.07 0.10 -0.15 0.42 -0.55 0.00 0.00 175.29 175.04 1k3j s ILE 91 N -0.22 2.86 0.06 -2.34 1.01 0.43 0.14 121.20 123.14 1k3j s ILE 91 Ca 0.01 -0.73 0.06 0.00 0.00 0.00 0.00 60.65 60.00 1k3j s ILE 91 Cb -0.03 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 1k3j s ILE 91 CO -0.00 0.53 -0.13 -1.48 0.00 0.00 0.00 174.94 173.86 1k3j s LEU 92 N 0.44 2.89 -0.12 2.97 2.34 -0.23 0.19 118.68 127.16 1k3j s LEU 92 Ca -0.11 -0.36 0.01 0.00 0.06 0.00 0.00 54.13 53.73 1k3j s LEU 92 Cb -0.16 -1.69 0.02 0.00 -0.56 0.00 0.00 46.19 43.79 1k3j s LEU 92 CO 0.05 0.23 -0.15 -0.22 -1.06 0.00 0.00 176.35 175.21 1k3j s LEU 93 N -1.74 1.69 0.00 1.48 2.96 -0.13 -0.46 118.68 122.47 1k3j s LEU 93 Ca 0.18 -0.45 0.00 0.00 -0.22 0.00 0.00 54.13 53.64 1k3j s LEU 93 Cb -0.11 -1.12 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 4.45 4.24 3.61 7.98 0.00 -1.25 -2.14 105.19 122.08 1k3j n GLY 94 Ca -0.18 -1.84 -0.34 0.00 0.00 0.00 0.00 46.02 43.66 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 0.21 -1.15 1.61 4.71 -1.26 -4.76 120.64 120.00 1k3j n GLU 95 Ca 0.00 0.14 0.15 0.00 -0.01 0.00 0.00 57.16 57.43 1k3j n GLU 95 Cb 0.00 -2.25 -0.04 0.00 -1.01 0.00 0.00 31.44 28.14 1k3j n GLU 95 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1k3j n ASP 96 N -2.32 -6.57 0.11 1.62 9.92 -1.26 -3.81 116.55 114.25 1k3j n ASP 96 Ca 0.12 0.57 0.10 0.00 -0.53 0.00 0.00 54.79 55.06 1k3j n ASP 96 Cb 0.50 -3.65 0.45 0.00 -0.64 0.00 0.00 41.12 37.79 1k3j n ASP 96 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1k3j n GLY 97 N -3.51 -1.05 3.65 0.44 0.00 -1.26 -4.78 105.19 98.68 1k3j n GLY 97 Ca -0.01 0.09 -0.47 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.09 2.60 -4.57 1.61 4.13 -1.25 -4.99 115.26 110.71 1k3j n ASN 98 Ca 0.01 1.11 -0.23 0.00 1.68 0.00 0.00 54.58 57.15 1k3j n ASN 98 Cb 0.14 -1.37 -0.08 0.00 -1.54 0.00 0.00 39.78 36.93 1k3j n ASN 98 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1k3j s LEU 99 N 0.56 2.93 0.01 3.41 1.02 -1.26 -3.86 118.68 121.49 1k3j s LEU 99 Ca 0.76 -0.82 0.05 0.00 0.02 0.00 0.00 54.13 54.14 1k3j s LEU 99 Cb -0.73 -1.44 -0.02 0.00 0.02 0.00 0.00 46.19 44.02 1k3j s LEU 99 CO 0.44 0.02 -0.15 -0.76 0.02 0.00 0.00 176.35 175.92 1k3j s LEU 100 N -3.60 2.10 -0.20 1.79 2.01 0.39 -1.87 118.68 119.31 1k3j s LEU 100 Ca 0.31 -0.36 -0.03 0.00 0.01 0.00 0.00 54.13 54.06 1k3j s LEU 100 Cb -0.06 -0.69 -0.01 0.00 0.01 0.00 0.00 46.19 45.44 1k3j s LEU 100 CO 0.18 0.11 -0.07 -0.76 1.01 0.00 0.00 176.35 176.82 1k3j s LEU 101 N -0.74 2.84 -0.07 1.79 1.43 0.48 -1.06 118.68 123.35 1k3j s LEU 101 Ca 0.04 -0.38 0.04 0.00 -1.03 0.00 0.00 54.13 52.80 1k3j s LEU 101 Cb -0.07 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 1k3j s LEU 101 CO 0.00 0.02 -0.20 0.21 0.23 0.00 0.00 176.35 176.62 1k3j s ASN 102 N 1.20 3.54 -0.01 2.29 2.47 0.38 -1.64 114.94 123.17 1k3j s ASN 102 Ca 0.02 -0.38 -0.08 0.00 0.42 0.00 0.00 52.86 52.84 1k3j s ASN 102 Cb -0.14 -0.99 -0.05 0.00 -1.45 0.00 0.00 41.25 38.61 1k3j s ASN 102 CO -0.02 0.26 0.29 1.51 -3.72 0.00 0.00 177.10 175.41 1k3j s ASP 103 N -0.23 6.55 0.00 -4.21 1.47 -1.25 0.16 116.67 119.16 1k3j s ASP 103 Ca -0.01 0.64 0.13 0.00 1.18 0.00 0.00 52.55 54.50 1k3j s ASP 103 Cb -0.13 -2.12 0.22 0.00 -0.34 0.00 0.00 42.92 40.54 1k3j s ASP 103 CO 0.03 0.28 1.05 2.30 0.68 0.00 0.00 175.17 179.52 1k3j n ILE 104 N 1.36 0.00 -3.23 2.11 -5.35 -0.34 0.26 119.36 114.16 1k3j n ILE 104 Ca -0.13 -0.51 -0.26 0.00 -0.27 0.00 0.00 62.75 61.57 1k3j n ILE 104 Cb 0.53 0.72 -0.02 0.00 -1.74 0.00 0.00 39.64 39.14 1k3j n ILE 104 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1k3j s SER 105 N -1.45 6.35 -0.02 7.28 0.15 0.50 -4.31 113.70 122.20 1k3j s SER 105 Ca 0.17 0.64 -0.25 0.00 0.70 0.00 0.00 55.95 57.22 1k3j s SER 105 Cb 0.20 -2.12 -0.18 0.00 -1.71 0.00 0.00 66.02 62.21 1k3j s SER 105 CO -0.09 -0.30 1.17 0.74 1.20 0.00 0.00 173.24 175.96 1k3j h THR 106 N 0.92 1.10 -0.00 6.45 2.02 -1.87 -3.19 112.91 118.33 1k3j h THR 106 Ca -0.48 -1.01 0.00 0.00 0.77 0.00 0.00 66.41 65.68 1k3j h THR 106 Cb 1.20 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.33 1k3j h THR 106 CO 0.63 0.24 -0.00 0.59 0.37 0.00 0.00 175.52 177.35 1k3j n ASN 107 N -4.94 0.42 0.00 4.18 3.02 -1.26 -5.01 115.26 111.67 1k3j n ASN 107 Ca -0.09 -1.13 0.00 0.00 -0.03 0.00 0.00 54.58 53.34 1k3j n ASN 107 Cb 0.26 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 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 1.05 1.90 3.36 7.41 0.00 -1.21 -4.72 105.19 112.98 1k3j n GLY 108 Ca 0.22 -1.83 -0.32 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.81 2.46 0.08 2.61 2.01 -1.26 -4.40 115.64 114.33 1k3j s THR 109 Ca 0.00 -0.94 0.07 0.00 0.31 0.00 0.00 61.69 61.13 1k3j s THR 109 Cb 0.00 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 1k3j s THR 109 CO 0.00 0.58 -0.12 0.26 -0.69 0.00 0.00 174.62 174.64 1k3j s TRP 110 N -0.45 2.69 -0.21 4.92 0.51 0.32 -2.66 118.94 124.07 1k3j s TRP 110 Ca 0.05 -0.18 0.01 0.00 -2.12 0.00 0.00 56.10 53.86 1k3j s TRP 110 Cb -0.12 -1.44 0.05 0.00 -0.81 0.00 0.00 33.47 31.14 1k3j s TRP 110 CO 0.01 0.38 -0.09 -0.51 -0.51 0.00 0.00 176.95 176.24 1k3j s LEU 111 N -1.97 2.39 -1.28 2.99 1.43 0.39 0.16 118.68 122.78 1k3j s LEU 111 Ca 0.19 -0.97 -0.11 0.00 -1.03 0.00 0.00 54.13 52.22 1k3j s LEU 111 Cb -0.11 -1.23 0.09 0.00 0.03 0.00 0.00 46.19 44.97 1k3j s LEU 111 CO 0.11 -0.17 0.49 0.59 0.23 0.00 0.00 176.35 177.60 1k3j n ASN 112 N 4.67 -3.25 0.00 2.29 3.02 -0.65 0.67 115.26 122.02 1k3j n ASN 112 Ca -0.14 -0.46 0.00 0.00 -0.03 0.00 0.00 54.58 53.95 1k3j n ASN 112 Cb 0.46 -2.71 0.00 0.00 -0.61 0.00 0.00 39.78 36.92 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 -1.12 1.07 3.47 7.41 0.00 -1.26 -5.03 105.19 109.72 1k3j n GLY 113 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1k3j n GLY 113 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1k3j s GLN 114 N -0.59 3.58 -0.09 1.61 -0.44 0.21 -5.06 119.66 118.89 1k3j s GLN 114 Ca 0.00 -0.54 -0.30 0.00 -2.50 0.00 0.00 55.36 52.02 1k3j s GLN 114 Cb 0.00 -3.47 -0.04 0.00 -1.64 0.00 0.00 33.01 27.87 1k3j s GLN 114 CO 0.00 -0.27 1.38 0.21 0.50 0.00 0.00 175.29 177.10 1k3j s LYS 115 N 1.64 4.25 0.35 1.67 2.47 -1.26 -0.46 119.74 128.39 1k3j s LYS 115 Ca 0.06 1.85 0.04 0.00 -1.56 0.00 0.00 55.97 56.36 1k3j s LYS 115 Cb -0.16 -3.74 -0.01 0.00 -1.46 0.00 0.00 37.83 32.46 1k3j s LYS 115 CO 0.06 -0.67 0.51 0.14 0.16 0.00 0.00 175.35 175.55 1k3j s VAL 116 N 3.19 4.35 0.07 4.02 -7.23 -1.09 -4.96 120.40 118.75 1k3j s VAL 116 Ca 0.61 -0.81 -0.31 0.00 -1.81 0.00 0.00 61.98 59.66 1k3j s VAL 116 Cb -0.27 -3.55 -0.07 0.00 0.56 0.00 0.00 36.38 33.05 1k3j s VAL 116 CO 0.22 -0.27 1.38 -0.70 -0.31 0.00 0.00 175.10 175.42 1k3j s GLU 117 N -4.26 4.31 0.99 4.82 2.12 -1.26 -4.62 118.70 120.80 1k3j s GLU 117 Ca 0.44 2.02 -0.14 0.00 0.36 0.00 0.00 54.97 57.64 1k3j s GLU 117 Cb -0.10 -3.38 0.05 0.00 0.26 0.00 0.00 34.13 30.96 1k3j s GLU 117 CO 0.33 -0.48 0.35 1.17 -0.54 0.00 0.00 175.26 176.09 1k3j n LYS 118 N 4.51 -0.57 -2.89 4.30 4.81 -1.26 -2.16 118.16 124.89 1k3j n LYS 118 Ca 0.12 -0.13 -0.16 0.00 -0.87 0.00 0.00 58.31 57.27 1k3j n LYS 118 Cb 0.43 -1.84 -0.03 0.00 0.02 0.00 0.00 35.03 33.61 1k3j n LYS 118 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1k3j n ASN 119 N -1.48 -1.06 -4.55 3.14 0.23 0.72 -4.85 115.26 107.41 1k3j n ASN 119 Ca 0.06 -0.27 -0.32 0.00 -0.53 0.00 0.00 54.58 53.51 1k3j n ASN 119 Cb 0.55 -0.98 -0.11 0.00 -2.08 0.00 0.00 39.78 37.16 1k3j n ASN 119 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1k3j s SER 120 N -2.10 4.39 -0.00 0.53 0.15 -0.92 -4.91 113.70 110.85 1k3j s SER 120 Ca 0.31 -0.18 -0.24 0.00 0.70 0.00 0.00 55.95 56.53 1k3j s SER 120 Cb -0.18 -0.97 -0.05 0.00 -1.71 0.00 0.00 66.02 63.11 1k3j s SER 120 CO 0.38 0.30 0.74 0.20 1.20 0.00 0.00 173.24 176.06 1k3j s ASN 121 N -1.24 7.12 0.06 5.45 -0.87 -1.26 -3.83 114.94 120.37 1k3j s ASN 121 Ca 0.15 1.34 0.05 0.00 -1.57 0.00 0.00 52.86 52.84 1k3j s ASN 121 Cb -0.11 -2.45 -0.03 0.00 -0.02 0.00 0.00 41.25 38.65 1k3j s ASN 121 CO 0.05 -0.05 -0.15 -1.10 -2.57 0.00 0.00 177.10 173.28 1k3j s GLN 122 N 0.34 0.93 0.06 -0.60 -1.52 -0.65 -4.92 119.66 113.30 1k3j s GLN 122 Ca 0.39 -0.88 -0.31 0.00 -1.95 0.00 0.00 55.36 52.61 1k3j s GLN 122 Cb -0.19 -0.97 -0.06 0.00 -0.22 0.00 0.00 33.01 31.57 1k3j s GLN 122 CO 0.21 0.23 1.26 -1.17 -0.25 0.00 0.00 175.29 175.57 1k3j s LEU 123 N -1.44 4.36 0.76 2.90 0.20 -1.26 -0.38 118.68 123.82 1k3j s LEU 123 Ca 0.01 2.08 -0.14 0.00 0.69 0.00 0.00 54.13 56.77 1k3j s LEU 123 Cb -0.09 -3.58 0.06 0.00 -0.43 0.00 0.00 46.19 42.15 1k3j s LEU 123 CO 0.02 -0.55 1.20 -0.22 -0.29 0.00 0.00 176.35 176.51 1k3j s LEU 124 N 1.28 3.23 0.15 -0.68 2.96 -0.78 -4.82 118.68 120.01 1k3j s LEU 124 Ca 0.60 2.32 0.09 0.00 -0.22 0.00 0.00 54.13 56.92 1k3j s LEU 124 Cb -0.31 -4.58 -0.04 0.00 0.50 0.00 0.00 46.19 41.76 1k3j s LEU 124 CO 0.29 -2.40 -0.19 -0.55 -1.32 0.00 0.00 176.35 172.17 1k3j s SER 125 N -2.16 2.67 -0.12 3.68 0.15 -1.26 -4.96 113.70 111.71 1k3j s SER 125 Ca 0.73 -0.81 -0.29 0.00 0.70 0.00 0.00 55.95 56.28 1k3j s SER 125 Cb -0.28 -0.16 -0.03 0.00 -1.71 0.00 0.00 66.02 63.84 1k3j s SER 125 CO 0.48 0.00 1.46 -1.58 1.20 0.00 0.00 173.24 174.80 1k3j s GLN 126 N -2.51 4.19 -1.90 5.44 2.00 -1.26 -2.27 119.66 123.35 1k3j s GLN 126 Ca 0.13 1.91 0.00 0.00 -2.00 0.00 0.00 55.36 55.40 1k3j s GLN 126 Cb -0.07 -3.88 0.00 0.00 0.80 0.00 0.00 33.01 29.86 1k3j s GLN 126 CO 0.06 -0.80 0.00 0.41 -0.50 0.00 0.00 175.29 174.46 1k3j n GLY 127 N 3.90 0.96 3.23 2.59 0.00 -1.12 -4.94 105.19 109.82 1k3j n GLY 127 Ca 0.16 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.36 -2.71 -3.78 1.61 2.03 -0.96 -4.40 116.55 106.98 1k3j n ASP 128 Ca -0.21 0.01 -0.13 0.00 0.52 0.00 0.00 54.79 54.98 1k3j n ASP 128 Cb 0.65 -0.91 -0.13 0.00 -0.72 0.00 0.00 41.12 40.02 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 -3.11 0.19 -0.14 -0.67 2.12 -1.26 0.11 118.70 115.94 1k3j s GLU 129 Ca 0.51 0.35 0.00 0.00 0.36 0.00 0.00 54.97 56.19 1k3j s GLU 129 Cb -0.10 -0.01 -0.01 0.00 0.26 0.00 0.00 34.13 34.27 1k3j s GLU 129 CO 0.68 -0.09 -0.14 0.42 -0.54 0.00 0.00 175.26 175.59 1k3j s ILE 130 N 0.61 2.91 -0.07 -3.70 1.01 0.39 -1.63 121.20 120.73 1k3j s ILE 130 Ca -0.04 -0.70 -0.03 0.00 0.00 0.00 0.00 60.65 59.88 1k3j s ILE 130 Cb -0.06 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 1k3j s ILE 130 CO -0.03 0.52 0.07 -0.89 0.00 0.00 0.00 174.94 174.60 1k3j s THR 131 N 0.52 4.78 0.05 2.92 2.01 0.41 0.58 115.64 126.90 1k3j s THR 131 Ca -0.09 -0.18 -0.01 0.00 0.31 0.00 0.00 61.69 61.72 1k3j s THR 131 Cb -0.16 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.23 1k3j s THR 131 CO 0.04 0.52 -0.02 0.68 -0.69 0.00 0.00 174.62 175.15 1k3j s VAL 132 N -1.03 0.20 -0.02 3.82 -7.23 0.25 0.12 120.40 116.51 1k3j s VAL 132 Ca 0.17 -1.67 -0.00 0.00 -1.81 0.00 0.00 61.98 58.67 1k3j s VAL 132 Cb -0.12 -1.35 0.00 0.00 0.56 0.00 0.00 36.38 35.47 1k3j s VAL 132 CO 0.07 -0.92 0.02 0.61 -0.31 0.00 0.00 175.10 174.57 1k3j n GLY 133 N 0.30 0.71 3.79 2.32 0.00 -1.26 0.13 105.19 111.17 1k3j n GLY 133 Ca -0.15 -0.58 -0.39 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 -3.01 4.49 0.00 1.61 1.01 -1.26 -2.80 120.40 120.44 1k3j s VAL 134 Ca 0.01 1.53 0.00 0.00 0.00 0.00 0.00 61.98 63.51 1k3j s VAL 134 Cb -0.00 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1k3j s VAL 134 CO 0.01 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1k3j n GLY 135 N 1.53 3.61 2.97 4.51 0.00 -1.26 -4.99 105.19 111.55 1k3j n GLY 135 Ca -0.07 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.57 0.29 0.00 0.00 0.00 0.00 61.98 61.71 1k3j s VAL 136 Cb 0.00 -1.35 0.40 0.00 0.00 0.00 0.00 36.38 35.44 1k3j s VAL 136 CO 0.00 0.36 1.81 1.05 0.00 0.00 0.00 175.10 178.33 1k3j h GLU 137 N 8.09 0.00 -0.34 2.72 4.11 -1.98 0.74 114.58 127.92 1k3j h GLU 137 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.10 1k3j h GLU 137 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1k3j h GLU 137 CO 0.47 0.00 0.00 0.45 0.07 0.00 0.00 179.01 180.00 1k3j n SER 138 N -3.72 2.48 -1.04 3.06 2.88 -1.26 -4.21 113.62 111.82 1k3j n SER 138 Ca 0.12 -1.89 0.05 0.00 -1.33 0.00 0.00 58.87 55.82 1k3j n SER 138 Cb 0.85 -0.22 0.10 0.00 -0.75 0.00 0.00 64.21 64.19 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 0.85 1.29 -4.67 -3.46 -0.08 0.26 -5.05 116.55 105.70 1k3j n ASP 139 Ca 0.17 -2.82 -0.35 0.00 -1.51 0.00 0.00 54.79 50.28 1k3j n ASP 139 Cb 0.43 -0.39 -0.10 0.00 2.34 0.00 0.00 41.12 43.40 1k3j n ASP 139 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1k3j s ILE 140 N -1.43 4.27 -0.05 5.18 1.01 -1.12 -4.38 121.20 124.68 1k3j s ILE 140 Ca 0.34 -0.26 0.05 0.00 0.00 0.00 0.00 60.65 60.78 1k3j s ILE 140 Cb 0.36 -2.80 -0.00 0.00 0.01 0.00 0.00 42.46 40.03 1k3j s ILE 140 CO -0.11 0.60 -0.19 -0.22 0.00 0.00 0.00 174.94 175.01 1k3j s LEU 141 N -0.77 1.95 0.09 2.97 0.20 0.34 -4.95 118.68 118.51 1k3j s LEU 141 Ca 0.12 -0.41 0.05 0.00 0.69 0.00 0.00 54.13 54.58 1k3j s LEU 141 Cb -0.11 -1.10 -0.04 0.00 -0.43 0.00 0.00 46.19 44.50 1k3j s LEU 141 CO 0.02 0.17 0.02 -0.55 -0.29 0.00 0.00 176.35 175.72 1k3j s SER 142 N 0.06 5.12 0.02 3.68 0.15 -1.26 0.87 113.70 122.35 1k3j s SER 142 Ca -0.06 -0.15 0.02 0.00 0.70 0.00 0.00 55.95 56.46 1k3j s SER 142 Cb -0.13 -1.25 -0.01 0.00 -1.71 0.00 0.00 66.02 62.92 1k3j s SER 142 CO 0.03 0.17 -0.07 -0.76 1.20 0.00 0.00 173.24 173.82 1k3j s LEU 143 N -2.35 2.13 -0.04 3.45 1.43 0.20 -3.61 118.68 119.89 1k3j s LEU 143 Ca 0.27 -0.32 0.06 0.00 -1.03 0.00 0.00 54.13 53.10 1k3j s LEU 143 Cb -0.12 -0.22 -0.02 0.00 0.03 0.00 0.00 46.19 45.86 1k3j s LEU 143 CO 0.19 -0.07 -0.20 -0.69 0.23 0.00 0.00 176.35 175.81 1k3j s VAL 144 N -0.75 2.56 -0.23 -1.59 1.01 0.31 0.15 120.40 121.86 1k3j s VAL 144 Ca -0.04 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 60.96 1k3j s VAL 144 Cb -0.06 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 1k3j s VAL 144 CO 0.00 0.58 0.05 -0.63 0.00 0.00 0.00 175.10 175.11 1k3j s ILE 145 N -0.62 4.33 -0.24 2.22 1.01 0.30 0.97 121.20 129.17 1k3j s ILE 145 Ca 0.09 -0.18 -0.05 0.00 0.00 0.00 0.00 60.65 60.52 1k3j s ILE 145 Cb -0.11 -2.99 -0.01 0.00 0.01 0.00 0.00 42.46 39.36 1k3j s ILE 145 CO 0.00 0.38 -0.00 0.12 0.00 0.00 0.00 174.94 175.44 1k3j s PHE 146 N 1.23 3.01 -0.07 3.97 2.19 0.46 -2.63 117.98 126.14 1k3j s PHE 146 Ca 0.04 -0.80 -0.20 0.00 0.33 0.00 0.00 56.93 56.30 1k3j s PHE 146 Cb -0.14 -2.15 -0.04 0.00 -1.31 0.00 0.00 43.02 39.37 1k3j s PHE 146 CO 0.03 -0.50 0.57 0.42 1.83 0.00 0.00 175.22 177.57 1k3j s ILE 147 N 1.52 5.08 -0.37 3.12 1.09 -1.26 0.13 121.20 130.50 1k3j s ILE 147 Ca 0.06 1.16 -0.28 0.00 -1.10 0.00 0.00 60.65 60.49 1k3j s ILE 147 Cb -0.15 -3.90 0.02 0.00 -1.06 0.00 0.00 42.46 37.37 1k3j s ILE 147 CO -0.01 0.33 1.02 0.21 -0.10 0.00 0.00 174.94 176.40 1k3j s ASN 148 N 0.44 6.76 0.53 3.58 3.84 -1.22 -4.90 114.94 123.96 1k3j s ASN 148 Ca 0.30 0.73 0.18 0.00 0.21 0.00 0.00 52.86 54.28 1k3j s ASN 148 Cb -0.17 -2.51 1.34 0.00 -0.55 0.00 0.00 41.25 39.37 1k3j s ASN 148 CO 0.14 -0.94 2.15 0.44 -2.79 0.00 0.00 177.10 176.10 1k3j h ASP 149 N 8.48 0.00 -0.64 -4.21 3.32 -1.94 -2.09 116.42 119.34 1k3j h ASP 149 Ca -0.22 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.86 1k3j h ASP 149 Cb 1.07 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.58 1k3j h ASP 149 CO 1.03 0.01 0.39 0.50 -1.72 0.00 0.00 179.24 179.45 1k3j h LYS 150 N 0.00 0.73 -0.64 3.56 3.64 -1.90 -1.98 116.57 119.98 1k3j h LYS 150 Ca -0.00 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1k3j h LYS 150 Cb 0.03 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.64 1k3j h LYS 150 CO 0.00 0.48 0.38 0.35 -2.27 0.00 0.00 179.45 178.40 1k3j h PHE 151 N 0.75 0.71 -0.68 1.91 3.57 -1.58 -1.84 116.94 119.78 1k3j h PHE 151 Ca 0.26 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 1k3j h PHE 151 Cb 0.05 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 1k3j h PHE 151 CO -0.06 0.39 0.39 0.87 -2.23 0.00 0.00 178.31 177.68 1k3j h LYS 152 N 0.74 0.93 -0.81 1.11 1.57 -1.40 -1.92 116.57 116.78 1k3j h LYS 152 Ca 0.26 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 1k3j h LYS 152 Cb 0.06 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.14 1k3j h LYS 152 CO -0.12 0.66 0.41 1.96 -0.57 0.00 0.00 179.45 181.79 1k3j h GLN 153 N 0.94 1.15 -0.32 3.15 1.08 -0.64 0.20 115.11 120.68 1k3j h GLN 153 Ca 0.24 -0.16 -0.09 0.00 -1.45 0.00 0.00 58.65 57.20 1k3j h GLN 153 Cb -0.01 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.20 1k3j h GLN 153 CO -0.04 0.87 -0.13 0.00 -0.95 0.00 0.00 178.83 178.58 1k3j h LEU 155 N 0.43 0.61 -0.57 0.00 -0.00 -1.13 0.82 115.31 115.48 1k3j h LEU 155 Ca 0.08 -0.24 -0.05 0.00 -0.00 0.00 0.00 57.88 57.66 1k3j h LEU 155 Cb 0.65 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 41.12 1k3j h LEU 155 CO 0.04 0.90 0.16 -0.33 -0.00 0.00 0.00 178.44 179.21 1k3j h GLU 156 N 0.50 0.90 0.06 1.13 5.08 -0.52 -3.10 114.58 118.64 1k3j h GLU 156 Ca 0.06 -0.20 -0.28 0.00 -1.00 0.00 0.00 59.36 57.94 1k3j h GLU 156 Cb 0.81 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1k3j h GLU 156 CO 0.07 0.82 -1.44 1.96 -1.00 0.00 0.00 179.01 179.42 1k3j h GLN 157 N 0.81 0.13 0.00 2.33 7.50 -1.30 -3.47 115.11 121.11 1k3j h GLN 157 Ca 0.18 -0.22 0.00 0.00 0.50 0.00 0.00 58.65 59.11 1k3j h GLN 157 Cb 0.31 0.08 0.00 0.00 0.05 0.00 0.00 27.48 27.93 1k3j h GLN 157 CO -0.00 0.95 0.00 0.27 -1.50 0.00 0.00 178.83 178.55 1k3j n ASN 158 N -3.34 0.00 -4.63 1.46 0.23 0.28 -4.45 115.26 104.81 1k3j n ASN 158 Ca -0.12 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.50 1k3j n ASN 158 Cb 1.02 0.00 -0.03 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 3.71 0.36 -3.83 2.20 -1.26 -4.93 119.74 115.99 1k3j s LYS 159 Ca 0.00 2.32 -0.28 0.00 -0.36 0.00 0.00 55.97 57.65 1k3j s LYS 159 Cb 0.00 -4.24 -0.10 0.00 -1.51 0.00 0.00 37.83 31.98 1k3j s LYS 159 CO 0.00 -1.44 1.32 0.54 -0.36 0.00 0.00 175.35 175.41 1k3j s VAL 160 N 6.06 2.62 -0.16 4.02 0.11 -1.26 -5.02 120.40 126.76 1k3j s VAL 160 Ca 0.92 0.60 0.00 0.00 -2.93 0.00 0.00 61.98 60.58 1k3j s VAL 160 Cb -0.38 -3.37 0.02 0.00 -1.53 0.00 0.00 36.38 31.12 1k3j s VAL 160 CO 0.38 0.13 -0.14 -0.62 -3.33 0.00 0.00 175.10 171.52 1k3j s ASP 161 N -0.53 2.79 0.57 3.54 2.15 -1.26 -5.05 116.67 118.88 1k3j s ASP 161 Ca 0.52 -0.54 0.00 0.00 0.43 0.00 0.00 52.55 52.96 1k3j s ASP 161 Cb -0.40 -1.21 0.00 0.00 -0.30 0.00 0.00 42.92 41.01 1k3j s ASP 161 CO 0.53 -0.06 0.00 -1.14 -0.17 0.00 0.00 175.17 174.33 1k3j n ARG 162 N 4.75 -3.65 -3.03 4.34 0.63 -1.26 -4.77 116.66 113.67 1k3j n ARG 162 Ca -0.17 2.88 -0.42 0.00 -0.92 0.00 0.00 57.85 59.22 1k3j n ARG 162 Cb 0.50 -3.76 -0.06 0.00 0.45 0.00 0.00 32.46 29.59 1k3j n ARG 162 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1k3j s ILE 163 N -4.97 4.84 -1.48 5.15 -1.09 -1.26 -5.28 121.20 117.11 1k3j s ILE 163 Ca 0.00 0.85 0.12 0.00 -2.23 0.00 0.00 60.65 59.39 1k3j s ILE 163 Cb 0.00 -4.11 0.09 0.00 -1.58 0.00 0.00 42.46 36.86 1k3j s ILE 163 CO 0.00 -0.29 0.87 -1.14 -1.23 0.00 0.00 174.94 173.15