#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k3j s THR 15 N 0.00 -0.51 0.00 0.00 -4.23 -1.26 -5.02 115.64 104.62 1k3j s THR 15 Ca 0.00 -0.76 -0.22 0.00 -1.18 0.00 0.00 61.69 59.53 1k3j s THR 15 Cb 0.00 -0.48 -0.19 0.00 1.34 0.00 0.00 72.50 73.17 1k3j s THR 15 CO 0.00 -0.43 1.22 -0.61 -0.54 0.00 0.00 174.62 174.26 1k3j h GLN 16 N 6.96 0.25 -0.56 3.99 4.15 -2.07 -2.89 115.11 124.95 1k3j h GLN 16 Ca 0.06 -0.18 -0.11 0.00 0.77 0.00 0.00 58.65 59.19 1k3j h GLN 16 Cb 1.09 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.79 1k3j h GLN 16 CO 0.17 0.78 -0.08 0.00 -1.93 0.00 0.00 178.83 177.77 1k3j h ARG 17 N -0.24 1.05 -1.00 1.69 -0.00 -2.01 -2.96 114.38 110.93 1k3j h ARG 17 Ca -0.00 -0.38 0.06 0.00 -0.50 0.00 0.00 59.98 59.16 1k3j h ARG 17 Cb 0.79 -0.07 -0.07 0.00 0.00 0.00 0.00 29.97 30.62 1k3j h ARG 17 CO 0.04 1.07 0.64 0.35 0.00 0.00 0.00 179.97 182.08 1k3j h PHE 18 N 0.94 1.20 -0.51 3.04 3.57 -1.97 -0.78 116.94 122.43 1k3j h PHE 18 Ca 0.15 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.73 1k3j h PHE 18 Cb 0.65 -0.39 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 1k3j h PHE 18 CO 0.04 0.63 0.34 1.25 -2.23 0.00 0.00 178.31 178.35 1k3j h LEU 19 N 1.18 0.42 -0.42 0.59 7.12 -1.33 -1.09 115.31 121.78 1k3j h LEU 19 Ca 0.42 -0.00 -0.18 0.00 0.13 0.00 0.00 57.88 58.25 1k3j h LEU 19 Cb 0.13 -0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 40.17 1k3j h LEU 19 CO -0.16 0.28 -0.71 0.40 -0.13 0.00 0.00 178.44 178.12 1k3j h ILE 20 N 0.49 1.37 -0.66 4.05 2.04 -1.16 -3.10 117.51 120.53 1k3j h ILE 20 Ca 0.22 -2.09 0.07 0.00 1.00 0.00 0.00 64.86 64.06 1k3j h ILE 20 Cb 0.24 2.06 -0.04 0.00 -0.74 0.00 0.00 36.82 38.34 1k3j h ILE 20 CO -0.06 0.63 0.43 -0.33 0.00 0.00 0.00 178.15 178.83 1k3j h GLU 21 N 0.30 0.60 0.00 2.37 5.08 -0.68 0.20 114.58 122.44 1k3j h GLU 21 Ca -0.03 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1k3j h GLU 21 Cb 1.28 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 1k3j h GLU 21 CO 0.12 0.39 -0.14 0.87 -1.00 0.00 0.00 179.01 179.25 1k3j h LYS 22 N 0.61 0.00 -0.19 2.33 1.57 -1.44 -3.00 116.57 116.47 1k3j h LYS 22 Ca 0.29 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.06 1k3j h LYS 22 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1k3j h LYS 22 CO -0.09 0.14 0.09 0.35 -0.57 0.00 0.00 179.45 179.37 1k3j h PHE 23 N 0.00 0.27 -0.18 -1.35 3.04 -0.67 -3.18 116.94 114.86 1k3j h PHE 23 Ca -0.00 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.91 1k3j h PHE 23 Cb 0.46 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.88 1k3j h PHE 23 CO 0.00 0.28 0.01 0.77 -2.02 0.00 0.00 178.31 177.35 1k3j h SER 24 N 0.18 0.30 -2.68 0.41 0.02 -1.53 -3.42 113.55 106.82 1k3j h SER 24 Ca 0.06 -0.28 -0.55 0.00 -0.84 0.00 0.00 61.79 60.18 1k3j h SER 24 Cb 0.11 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1k3j h SER 24 CO -0.01 0.51 1.04 0.00 -1.14 0.00 0.00 176.83 177.23 1k3j s GLN 25 N -5.07 4.19 -0.26 3.45 -2.07 -1.19 -4.99 119.66 113.73 1k3j s GLN 25 Ca -0.14 2.07 -0.10 0.00 -1.82 0.00 0.00 55.36 55.37 1k3j s GLN 25 Cb 0.06 -3.93 -0.05 0.00 -1.09 0.00 0.00 33.01 28.01 1k3j s GLN 25 CO 0.72 -0.81 0.16 -1.21 -1.32 0.00 0.00 175.29 172.83 1k3j s GLU 26 N 3.88 3.96 0.24 9.60 2.02 -1.26 -4.90 118.70 132.24 1k3j s GLU 26 Ca 0.69 -0.32 -0.30 0.00 0.02 0.00 0.00 54.97 55.06 1k3j s GLU 26 Cb -0.31 -3.55 -0.10 0.00 0.10 0.00 0.00 34.13 30.28 1k3j s GLU 26 CO 0.26 -0.06 1.46 -0.65 0.02 0.00 0.00 175.26 176.29 1k3j s GLN 27 N 1.40 4.25 0.17 1.61 1.11 -1.26 -4.97 119.66 121.96 1k3j s GLN 27 Ca 0.07 2.32 -0.28 0.00 0.01 0.00 0.00 55.36 57.48 1k3j s GLN 27 Cb -0.15 -3.11 -0.08 0.00 -1.01 0.00 0.00 33.01 28.67 1k3j s GLN 27 CO 0.07 -0.45 0.87 0.42 0.01 0.00 0.00 175.29 176.21 1k3j s ILE 28 N 0.10 4.33 -0.47 1.08 -1.09 -1.26 -5.00 121.20 118.90 1k3j s ILE 28 Ca 0.60 1.90 0.05 0.00 -2.23 0.00 0.00 60.65 60.97 1k3j s ILE 28 Cb -0.42 -4.24 0.24 0.00 -1.58 0.00 0.00 42.46 36.46 1k3j s ILE 28 CO 0.42 0.46 0.92 0.61 -1.23 0.00 0.00 174.94 176.13 1k3j n GLY 29 N 1.77 -0.37 0.17 6.18 0.00 -1.26 -4.96 105.19 106.73 1k3j n GLY 29 Ca -0.03 0.35 -0.18 0.00 0.00 0.00 0.00 46.02 46.17 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 4.03 0.54 0.00 1.61 4.22 -2.02 -3.43 114.58 119.53 1k3j h GLU 30 Ca -0.13 -0.62 0.00 0.00 0.08 0.00 0.00 59.36 58.69 1k3j h GLU 30 Cb 1.07 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1k3j h GLU 30 CO 0.20 1.24 0.00 0.09 -2.18 0.00 0.00 179.01 178.36 1k3j n ASN 31 N -3.77 0.00 -4.74 1.04 3.02 -1.26 -5.08 115.26 104.47 1k3j n ASN 31 Ca -0.10 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.04 1k3j n ASN 31 Cb 0.89 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 40.03 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 3.71 -0.15 2.41 -1.09 -1.26 -0.85 121.20 123.97 1k3j s ILE 32 Ca 0.00 1.47 -0.11 0.00 -2.23 0.00 0.00 60.65 59.78 1k3j s ILE 32 Cb 0.00 -3.94 -0.05 0.00 -1.58 0.00 0.00 42.46 36.89 1k3j s ILE 32 CO 0.00 0.25 -0.15 0.52 -1.23 0.00 0.00 174.94 174.33 1k3j n VAL 33 N 2.38 1.43 -3.89 2.92 0.31 0.31 -4.54 118.33 117.25 1k3j n VAL 33 Ca 0.03 0.19 -0.09 0.00 -0.01 0.00 0.00 64.34 64.46 1k3j n VAL 33 Cb 0.45 -2.35 -0.08 0.00 -0.91 0.00 0.00 33.84 30.95 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 -3.60 2.04 -0.24 0.00 3.00 0.26 -0.18 118.95 120.23 1k3j s ARG 35 Ca 0.03 -0.49 -0.15 0.00 -1.00 0.00 0.00 55.73 54.11 1k3j s ARG 35 Cb 0.04 -1.78 -0.04 0.00 0.00 0.00 0.00 34.95 33.17 1k3j s ARG 35 CO -0.09 -0.09 0.39 0.08 0.00 0.00 0.00 175.30 175.59 1k3j s VAL 36 N 1.07 5.18 -0.14 7.11 1.01 -1.01 0.17 120.40 133.79 1k3j s VAL 36 Ca -0.05 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.58 1k3j s VAL 36 Cb -0.15 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.54 1k3j s VAL 36 CO -0.02 0.20 -0.13 -0.63 0.00 0.00 0.00 175.10 174.51 1k3j s ILE 37 N 1.70 1.51 -0.69 2.22 1.01 0.31 -1.61 121.20 125.66 1k3j s ILE 37 Ca 0.17 -0.60 -0.24 0.00 0.00 0.00 0.00 60.65 59.99 1k3j s ILE 37 Cb -0.15 -1.42 0.06 0.00 0.01 0.00 0.00 42.46 40.95 1k3j s ILE 37 CO 0.09 0.45 1.06 0.00 0.00 0.00 0.00 174.94 176.53 1k3j h THR 39 N 5.99 0.00 0.00 0.00 1.35 -1.92 -3.14 112.91 115.19 1k3j h THR 39 Ca -0.28 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.65 1k3j h THR 39 Cb 1.06 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 1k3j h THR 39 CO 1.21 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 176.83 1k3j n THR 40 N -3.06 0.01 -2.53 6.82 -2.24 -1.25 -4.94 114.28 107.08 1k3j n THR 40 Ca 0.04 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.81 1k3j n THR 40 Cb 0.50 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 1.11 -0.95 0.00 3.38 0.00 -1.19 -5.00 105.19 102.55 1k3j n GLY 41 Ca 0.19 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -1.40 0.00 -4.20 1.61 6.02 -1.26 -5.12 117.38 113.03 1k3j n GLN 42 Ca 0.01 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.83 1k3j n GLN 42 Cb 0.48 -0.49 -0.13 0.00 1.02 0.00 0.00 30.24 31.12 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 -1.00 0.70 0.45 5.09 1.01 -1.26 -4.88 121.20 121.31 1k3j s ILE 43 Ca 0.00 -0.78 -0.23 0.00 0.00 0.00 0.00 60.65 59.64 1k3j s ILE 43 Cb 0.00 -0.67 -0.07 0.00 0.01 0.00 0.00 42.46 41.73 1k3j s ILE 43 CO 0.00 -0.09 1.17 -2.16 0.00 0.00 0.00 174.94 173.86 1k3j s PRO 44 N -0.96 3.78 0.86 2.79 0.04 -1.26 -4.19 135.00 136.06 1k3j s PRO 44 Ca -0.02 1.78 -0.14 0.00 0.04 0.00 0.00 61.00 62.67 1k3j s PRO 44 Cb -0.07 -2.43 0.04 0.00 0.04 0.00 0.00 34.50 32.08 1k3j s PRO 44 CO 0.00 -0.53 0.66 -0.89 0.04 0.00 0.00 177.00 176.28 1k3j n ILE 45 N -0.44 0.89 -3.98 0.56 5.41 -1.26 -4.82 119.36 115.72 1k3j n ILE 45 Ca 0.07 -0.23 -0.09 0.00 1.00 0.00 0.00 62.75 63.49 1k3j n ILE 45 Cb 0.48 -0.80 -0.08 0.00 -0.71 0.00 0.00 39.64 38.53 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 -3.59 1.04 -0.13 0.38 6.06 -0.63 -5.04 118.95 117.04 1k3j s ARG 46 Ca 0.63 -1.19 -0.00 0.00 -2.50 0.00 0.00 55.73 52.67 1k3j s ARG 46 Cb -0.27 0.34 0.02 0.00 0.06 0.00 0.00 34.95 35.11 1k3j s ARG 46 CO 0.61 -0.35 -0.10 0.16 -2.50 0.00 0.00 175.30 173.11 1k3j s ASP 47 N -2.96 2.39 -0.17 -2.12 -4.77 -1.26 -2.39 116.67 105.38 1k3j s ASP 47 Ca 0.16 -0.38 -0.15 0.00 -3.30 0.00 0.00 52.55 48.88 1k3j s ASP 47 Cb 0.05 -0.97 -0.04 0.00 -1.09 0.00 0.00 42.92 40.86 1k3j s ASP 47 CO -0.02 -0.10 0.35 -0.76 0.70 0.00 0.00 175.17 175.34 1k3j s LEU 48 N 1.62 4.22 0.06 2.11 1.02 0.74 -5.01 118.68 123.44 1k3j s LEU 48 Ca 0.05 0.54 0.00 0.00 0.02 0.00 0.00 54.13 54.75 1k3j s LEU 48 Cb -0.13 -2.45 -0.03 0.00 0.02 0.00 0.00 46.19 43.60 1k3j s LEU 48 CO -0.09 0.03 -0.05 -0.94 0.02 0.00 0.00 176.35 175.33 1k3j s SER 49 N 0.67 0.66 -0.07 2.29 1.04 -1.26 0.11 113.70 117.14 1k3j s SER 49 Ca 0.18 -0.85 -0.09 0.00 0.48 0.00 0.00 55.95 55.68 1k3j s SER 49 Cb -0.14 0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.13 1k3j s SER 49 CO 0.06 -0.46 0.23 0.00 0.98 0.00 0.00 173.24 174.05 1k3j s ALA 50 N -3.04 -0.57 0.31 5.32 0.00 -0.03 -4.78 121.76 118.97 1k3j s ALA 50 Ca 0.02 0.55 -0.28 0.00 0.00 0.00 0.00 51.96 52.25 1k3j s ALA 50 Cb 0.01 -0.30 -0.09 0.00 0.00 0.00 0.00 23.12 22.75 1k3j s ALA 50 CO -0.06 -0.13 1.06 -0.51 0.00 0.00 0.00 175.76 176.12 1k3j s ASP 51 N -0.16 7.17 0.14 0.00 1.11 -1.26 -4.68 116.67 118.99 1k3j s ASP 51 Ca -0.03 2.16 -0.14 0.00 0.18 0.00 0.00 52.55 54.72 1k3j s ASP 51 Cb -0.03 -2.61 0.01 0.00 1.07 0.00 0.00 42.92 41.37 1k3j s ASP 51 CO 0.01 -0.21 1.66 0.40 1.18 0.00 0.00 175.17 178.21 1k3j h ILE 52 N 2.84 1.23 -0.82 0.77 2.04 -1.98 -2.42 117.51 119.17 1k3j h ILE 52 Ca -0.47 -0.77 0.07 0.00 1.00 0.00 0.00 64.86 64.69 1k3j h ILE 52 Cb 1.21 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 38.08 1k3j h ILE 52 CO 0.66 0.28 0.50 0.77 0.00 0.00 0.00 178.15 180.35 1k3j h SER 53 N 0.61 0.77 -0.21 1.72 4.64 -1.98 0.49 113.55 119.59 1k3j h SER 53 Ca 0.15 0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.37 1k3j h SER 53 Cb 0.28 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1k3j h SER 53 CO -0.00 0.48 -0.29 1.56 -0.87 0.00 0.00 176.83 177.71 1k3j h GLN 54 N 0.90 0.70 -0.09 4.77 4.20 -1.94 0.52 115.11 124.17 1k3j h GLN 54 Ca 0.37 -0.31 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 1k3j h GLN 54 Cb 0.21 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1k3j h GLN 54 CO -0.19 0.91 -0.33 0.28 -0.67 0.00 0.00 178.83 178.84 1k3j h VAL 55 N 0.60 1.40 -0.02 -0.54 2.07 -0.78 0.13 116.25 119.11 1k3j h VAL 55 Ca 0.07 -1.68 -0.12 0.00 0.82 0.00 0.00 66.70 65.79 1k3j h VAL 55 Cb 0.80 2.22 -0.02 0.00 -1.52 0.00 0.00 31.29 32.78 1k3j h VAL 55 CO 0.07 0.49 -0.54 -0.07 0.02 0.00 0.00 177.57 177.53 1k3j h LEU 56 N -0.07 0.06 0.11 2.57 4.07 -0.06 -3.25 115.31 118.73 1k3j h LEU 56 Ca -0.01 -0.03 -0.17 0.00 0.08 0.00 0.00 57.88 57.74 1k3j h LEU 56 Cb 0.96 -0.02 0.01 0.00 1.08 0.00 0.00 40.66 42.69 1k3j h LEU 56 CO 0.07 0.59 -0.79 0.50 -1.08 0.00 0.00 178.44 177.74 1k3j h LYS 57 N 0.04 0.23 -5.97 1.13 3.64 -0.91 -3.45 116.57 111.28 1k3j h LYS 57 Ca -0.00 -0.39 -0.57 0.00 -1.27 0.00 0.00 60.65 58.42 1k3j h LYS 57 Cb 0.98 0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 32.88 1k3j h LYS 57 CO 0.07 1.19 0.19 -2.00 -2.27 0.00 0.00 179.45 176.63 1k3j s GLU 58 N -2.40 4.37 -0.03 1.90 2.56 0.46 -4.90 118.70 120.65 1k3j s GLU 58 Ca -0.16 0.90 0.14 0.00 0.00 0.00 0.00 54.97 55.85 1k3j s GLU 58 Cb 0.01 -3.50 0.24 0.00 2.00 0.00 0.00 34.13 32.88 1k3j s GLU 58 CO 0.79 -0.09 1.11 0.36 -0.56 0.00 0.00 175.26 176.87 1k3j n LYS 59 N 4.36 0.18 -0.04 4.30 -0.00 -1.26 -4.67 118.16 121.02 1k3j n LYS 59 Ca 0.01 -1.60 -0.00 0.00 -0.00 0.00 0.00 58.31 56.72 1k3j n LYS 59 Cb 0.50 0.15 -0.00 0.00 -0.00 0.00 0.00 35.03 35.69 1k3j n LYS 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1k3j h ARG 60 N 0.65 -0.00 0.00 -1.58 3.08 -1.97 -3.48 114.38 111.07 1k3j h ARG 60 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.66 1k3j h ARG 60 Cb 1.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.66 1k3j h ARG 60 CO -0.09 -0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.68 1k3j n SER 61 N -4.51 0.00 -4.02 7.04 3.41 -1.26 -5.11 113.62 109.17 1k3j n SER 61 Ca -0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.53 1k3j n SER 61 Cb 0.00 0.23 -0.11 0.00 -0.26 0.00 0.00 64.21 64.07 1k3j n SER 61 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1k3j s ILE 62 N -1.62 0.15 0.05 -1.33 1.10 -1.26 -4.60 121.20 113.68 1k3j s ILE 62 Ca 0.00 -1.27 -0.03 0.00 -0.51 0.00 0.00 60.65 58.84 1k3j s ILE 62 Cb 0.00 -0.77 -0.01 0.00 0.15 0.00 0.00 42.46 41.83 1k3j s ILE 62 CO 0.00 -0.70 -0.06 0.29 -2.11 0.00 0.00 174.94 172.36 1k3j n LYS 63 N 0.99 0.09 -3.77 3.50 5.02 -0.96 -4.88 118.16 118.15 1k3j n LYS 63 Ca -0.20 0.03 -0.13 0.00 -2.02 0.00 0.00 58.31 56.00 1k3j n LYS 63 Cb 0.57 -0.65 -0.12 0.00 -0.02 0.00 0.00 35.03 34.81 1k3j n LYS 63 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1k3j s LYS 64 N -2.14 0.22 -0.01 1.97 2.20 -1.18 -5.03 119.74 115.78 1k3j s LYS 64 Ca -0.05 0.37 0.02 0.00 -0.36 0.00 0.00 55.97 55.95 1k3j s LYS 64 Cb 0.01 0.03 -0.00 0.00 -1.51 0.00 0.00 37.83 36.35 1k3j s LYS 64 CO 0.07 -0.08 -0.08 0.08 -0.36 0.00 0.00 175.35 174.99 1k3j s VAL 65 N 0.52 0.61 -0.11 4.02 1.01 -1.26 -0.13 120.40 125.05 1k3j s VAL 65 Ca -0.03 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.58 1k3j s VAL 65 Cb -0.05 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 1k3j s VAL 65 CO -0.03 0.18 0.07 0.26 0.00 0.00 0.00 175.10 175.58 1k3j s TRP 66 N -0.11 3.37 -0.17 5.22 0.51 0.54 -4.90 118.94 123.39 1k3j s TRP 66 Ca 0.02 0.34 -0.03 0.00 -2.12 0.00 0.00 56.10 54.31 1k3j s TRP 66 Cb -0.04 -1.88 -0.02 0.00 -0.81 0.00 0.00 33.47 30.73 1k3j s TRP 66 CO -0.00 0.57 -0.06 0.99 -0.51 0.00 0.00 176.95 177.94 1k3j s THR 67 N -0.86 3.48 0.03 2.01 2.01 -1.26 0.16 115.64 121.21 1k3j s THR 67 Ca 0.13 -0.49 0.04 0.00 0.31 0.00 0.00 61.69 61.69 1k3j s THR 67 Cb -0.12 -2.53 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 1k3j s THR 67 CO 0.03 0.48 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.00 1k3j s PHE 68 N 0.76 2.84 -3.90 4.92 0.40 0.61 0.11 117.98 123.72 1k3j s PHE 68 Ca -0.03 -0.08 0.00 0.00 -0.60 0.00 0.00 56.93 56.22 1k3j s PHE 68 Cb -0.15 -1.56 0.00 0.00 0.51 0.00 0.00 43.02 41.82 1k3j s PHE 68 CO 0.02 0.38 0.00 0.41 0.70 0.00 0.00 175.22 176.72 1k3j n GLY 69 N 1.35 -2.15 0.00 4.36 0.00 -0.78 0.13 105.19 108.10 1k3j n GLY 69 Ca -0.15 -1.22 0.10 0.00 0.00 0.00 0.00 46.02 44.75 1k3j n GLY 69 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1k3j n ARG 70 N -0.52 0.17 -2.99 1.61 0.63 0.15 -1.98 116.66 113.74 1k3j n ARG 70 Ca 0.00 0.13 -0.40 0.00 -0.92 0.00 0.00 57.85 56.66 1k3j n ARG 70 Cb 0.00 -1.50 -0.05 0.00 0.45 0.00 0.00 32.46 31.36 1k3j n ARG 70 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1k3j s ASN 71 N -2.74 7.23 0.00 6.15 2.47 0.50 -4.76 114.94 123.80 1k3j s ASN 71 Ca 0.15 1.47 0.15 0.00 0.42 0.00 0.00 52.86 55.05 1k3j s ASN 71 Cb 0.13 -2.47 0.75 0.00 -1.45 0.00 0.00 41.25 38.21 1k3j s ASN 71 CO 0.32 0.05 1.44 -2.65 -3.72 0.00 0.00 177.10 172.54 1k3j n PRO 72 N 2.60 0.18 0.03 0.43 -0.02 -1.26 -2.34 135.00 134.62 1k3j n PRO 72 Ca -0.03 0.16 -0.21 0.00 -2.02 0.00 0.00 63.50 61.40 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 2.69 0.02 -1.18 3.55 0.00 -1.94 -3.47 119.26 118.93 1k3j h ALA 73 Ca 0.00 -0.87 -0.67 0.00 0.00 0.00 0.00 54.91 53.37 1k3j h ALA 73 Cb 0.16 0.27 0.10 0.00 0.00 0.00 0.00 17.79 18.32 1k3j h ALA 73 CO 0.00 0.57 -0.33 0.00 0.00 0.00 0.00 179.25 179.49 1k3j h ASP 75 N 1.47 0.00 -3.25 0.00 3.32 0.47 -3.37 116.42 115.06 1k3j h ASP 75 Ca -0.33 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.21 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 0.59 0.00 -0.80 -0.47 -1.72 0.00 0.00 179.24 176.84 1k3j s TYR 76 N -4.03 1.36 0.07 4.55 6.14 0.52 -4.89 117.35 121.06 1k3j s TYR 76 Ca -0.04 -0.62 -0.17 0.00 0.64 0.00 0.00 57.07 56.88 1k3j s TYR 76 Cb 0.10 -1.13 -0.06 0.00 0.42 0.00 0.00 41.96 41.29 1k3j s TYR 76 CO 0.31 -0.43 0.52 -1.58 0.64 0.00 0.00 175.55 175.01 1k3j s HIS 77 N 1.48 3.75 0.00 4.97 5.65 -1.26 -1.87 115.29 128.01 1k3j s HIS 77 Ca 0.00 1.15 0.00 0.00 0.25 0.00 0.00 55.06 56.47 1k3j s HIS 77 Cb -0.13 -2.41 0.00 0.00 -1.18 0.00 0.00 32.58 28.85 1k3j s HIS 77 CO -0.05 0.58 0.00 1.28 -0.65 0.00 0.00 174.74 175.89 1k3j n LEU 78 N 1.57 0.00 0.00 8.88 4.32 -0.84 -4.85 117.00 126.09 1k3j n LEU 78 Ca -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.89 1k3j n LEU 78 Cb 0.51 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 1k3j n LEU 78 CO 0.40 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.18 1k3j n GLY 79 N 2.99 -2.32 2.66 -0.72 0.00 -1.26 -4.75 105.19 101.80 1k3j n GLY 79 Ca 0.00 0.77 -0.03 0.00 0.00 0.00 0.00 46.02 46.76 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 -0.51 -1.23 -4.38 1.61 6.94 -1.26 -5.02 115.26 111.41 1k3j n ASN 80 Ca 0.00 -1.83 -0.40 0.00 -0.02 0.00 0.00 54.58 52.33 1k3j n ASN 80 Cb 0.00 1.12 -0.11 0.00 -2.36 0.00 0.00 39.78 38.42 1k3j n ASN 80 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1k3j s ILE 81 N 0.05 4.51 0.36 1.53 1.09 -1.26 -4.96 121.20 122.51 1k3j s ILE 81 Ca 0.15 -0.75 0.09 0.00 -1.10 0.00 0.00 60.65 59.03 1k3j s ILE 81 Cb 0.22 -3.45 0.32 0.00 -1.06 0.00 0.00 42.46 38.48 1k3j s ILE 81 CO -0.13 -0.14 1.90 0.28 -0.10 0.00 0.00 174.94 176.75 1k3j h SER 82 N 8.39 0.63 0.09 3.58 0.02 -2.00 0.13 113.55 124.40 1k3j h SER 82 Ca -0.27 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1k3j h SER 82 Cb 1.11 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1k3j h SER 82 CO 0.65 0.35 0.00 0.03 -1.14 0.00 0.00 176.83 176.72 1k3j h ARG 83 N 0.69 0.00 -6.03 3.45 2.47 -1.93 -3.42 114.38 109.62 1k3j h ARG 83 Ca 0.40 0.00 -0.63 0.00 -1.26 0.00 0.00 59.98 58.49 1k3j h ARG 83 Cb 0.59 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.84 1k3j h ARG 83 CO -0.16 0.00 -0.55 -0.51 0.56 0.00 0.00 179.97 179.31 1k3j s LEU 84 N -5.78 4.08 0.52 3.04 1.43 0.46 -4.48 118.68 117.95 1k3j s LEU 84 Ca -0.04 0.15 -0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1k3j s LEU 84 Cb 0.11 -2.68 0.02 0.00 0.03 0.00 0.00 46.19 43.67 1k3j s LEU 84 CO 0.38 0.19 0.75 -0.94 0.23 0.00 0.00 176.35 176.95 1k3j s SER 85 N -2.35 5.52 0.21 2.29 1.04 -1.26 -4.83 113.70 114.32 1k3j s SER 85 Ca 0.31 0.19 -0.18 0.00 0.48 0.00 0.00 55.95 56.75 1k3j s SER 85 Cb -0.13 -1.23 0.21 0.00 0.10 0.00 0.00 66.02 64.97 1k3j s SER 85 CO 0.24 -0.96 1.58 0.78 0.98 0.00 0.00 173.24 175.85 1k3j h ASN 86 N 0.17 -1.16 -3.36 7.02 2.35 -1.92 -2.14 115.58 116.53 1k3j h ASN 86 Ca -0.44 0.26 -0.62 0.00 -0.55 0.00 0.00 56.30 54.94 1k3j h ASN 86 Cb 1.28 0.62 -0.42 0.00 0.05 0.00 0.00 38.32 39.85 1k3j h ASN 86 CO 0.55 -0.29 -0.60 -1.59 -1.65 0.00 0.00 177.43 173.85 1k3j s LYS 87 N -6.03 2.29 0.14 0.81 -2.85 -1.26 0.34 119.74 113.18 1k3j s LYS 87 Ca -0.14 -3.13 -0.18 0.00 -1.00 0.00 0.00 55.97 51.52 1k3j s LYS 87 Cb 0.19 -3.31 -0.02 0.00 -2.06 0.00 0.00 37.83 32.63 1k3j s LYS 87 CO 0.71 -1.25 1.79 1.25 0.10 0.00 0.00 175.35 177.95 1k3j h HIS 88 N 5.66 0.36 -3.83 1.78 2.76 0.14 -3.35 115.15 118.66 1k3j h HIS 88 Ca 0.10 0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.19 1k3j h HIS 88 Cb 0.79 -0.12 -0.14 0.00 1.55 0.00 0.00 27.41 29.49 1k3j h HIS 88 CO 0.63 0.22 -0.39 -0.59 -1.30 0.00 0.00 177.93 176.50 1k3j s PHE 89 N -6.17 0.17 0.00 5.26 -0.71 -0.36 0.17 117.98 116.34 1k3j s PHE 89 Ca -0.13 -0.60 0.02 0.00 -1.04 0.00 0.00 56.93 55.17 1k3j s PHE 89 Cb 0.10 -0.08 -0.01 0.00 -1.21 0.00 0.00 43.02 41.82 1k3j s PHE 89 CO 0.71 -0.53 -0.06 -1.14 -1.34 0.00 0.00 175.22 172.86 1k3j s GLN 90 N -3.81 0.46 -0.12 1.99 0.74 0.42 0.22 119.66 119.55 1k3j s GLN 90 Ca 0.05 -0.26 0.00 0.00 0.05 0.00 0.00 55.36 55.20 1k3j s GLN 90 Cb 0.05 -0.42 -0.02 0.00 1.10 0.00 0.00 33.01 33.73 1k3j s GLN 90 CO -0.11 0.11 -0.14 0.42 -0.55 0.00 0.00 175.29 175.03 1k3j s ILE 91 N -0.28 3.02 0.09 -2.34 1.01 0.43 0.18 121.20 123.32 1k3j s ILE 91 Ca 0.01 -0.68 0.07 0.00 0.00 0.00 0.00 60.65 60.04 1k3j s ILE 91 Cb -0.03 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 1k3j s ILE 91 CO -0.00 0.53 -0.10 -1.48 0.00 0.00 0.00 174.94 173.90 1k3j s LEU 92 N 0.23 3.05 -0.13 2.97 2.34 0.84 0.20 118.68 128.20 1k3j s LEU 92 Ca -0.09 -0.35 0.01 0.00 0.06 0.00 0.00 54.13 53.76 1k3j s LEU 92 Cb -0.15 -1.84 0.02 0.00 -0.56 0.00 0.00 46.19 43.66 1k3j s LEU 92 CO 0.05 0.19 -0.15 -0.22 -1.06 0.00 0.00 176.35 175.17 1k3j s LEU 93 N -2.08 1.70 0.00 1.48 2.96 0.81 -0.48 118.68 123.07 1k3j s LEU 93 Ca 0.21 -0.45 0.00 0.00 -0.22 0.00 0.00 54.13 53.67 1k3j s LEU 93 Cb -0.11 -1.13 0.00 0.00 0.50 0.00 0.00 46.19 45.45 1k3j s LEU 93 CO 0.13 -0.02 0.00 0.61 -1.32 0.00 0.00 176.35 175.75 1k3j n GLY 94 N 4.45 2.22 2.56 7.98 0.00 -1.15 -2.26 105.19 118.99 1k3j n GLY 94 Ca -0.18 -0.82 -0.20 0.00 0.00 0.00 0.00 46.02 44.82 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 0.00 -1.45 -2.73 1.61 4.07 -1.26 -3.20 120.64 117.68 1k3j n GLU 95 Ca 0.00 1.20 -0.04 0.00 -0.06 0.00 0.00 57.16 58.26 1k3j n GLU 95 Cb 0.00 -5.58 -0.03 0.00 -0.06 0.00 0.00 31.44 25.77 1k3j n GLU 95 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1k3j n ASP 96 N -1.33 -3.10 0.00 4.31 9.92 -1.26 -4.03 116.55 121.06 1k3j n ASP 96 Ca -0.20 1.26 0.00 0.00 -0.53 0.00 0.00 54.79 55.32 1k3j n ASP 96 Cb 0.67 -4.49 0.00 0.00 -0.64 0.00 0.00 41.12 36.66 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 1.68 2.15 3.61 0.44 0.00 -1.26 -4.83 105.19 106.98 1k3j n GLY 97 Ca -0.27 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 1k3j n GLY 97 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1k3j n ASN 98 N 2.97 0.33 -4.22 1.61 2.85 -1.19 -4.89 115.26 112.72 1k3j n ASN 98 Ca 0.00 0.62 -0.20 0.00 -0.11 0.00 0.00 54.58 54.89 1k3j n ASN 98 Cb 0.00 -1.40 -0.12 0.00 1.24 0.00 0.00 39.78 39.50 1k3j n ASN 98 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1k3j s LEU 99 N -3.37 2.31 0.04 1.20 1.43 -1.26 -2.93 118.68 116.09 1k3j s LEU 99 Ca 0.72 -0.67 0.03 0.00 -1.03 0.00 0.00 54.13 53.18 1k3j s LEU 99 Cb -0.32 -0.62 -0.02 0.00 0.03 0.00 0.00 46.19 45.25 1k3j s LEU 99 CO 0.52 -0.05 -0.10 -0.76 0.23 0.00 0.00 176.35 176.18 1k3j s LEU 100 N -1.92 2.18 -0.14 1.79 1.02 0.37 -2.00 118.68 119.98 1k3j s LEU 100 Ca 0.02 -0.44 -0.01 0.00 0.02 0.00 0.00 54.13 53.72 1k3j s LEU 100 Cb -0.09 -0.39 -0.02 0.00 0.02 0.00 0.00 46.19 45.71 1k3j s LEU 100 CO 0.03 -0.05 -0.10 -0.76 0.02 0.00 0.00 176.35 175.49 1k3j s LEU 101 N -1.16 2.87 -0.23 1.79 1.02 -0.36 -0.11 118.68 122.49 1k3j s LEU 101 Ca -0.03 -0.28 0.00 0.00 0.02 0.00 0.00 54.13 53.85 1k3j s LEU 101 Cb -0.08 -1.66 0.03 0.00 0.02 0.00 0.00 46.19 44.50 1k3j s LEU 101 CO 0.01 0.16 -0.12 0.21 0.02 0.00 0.00 176.35 176.63 1k3j s ASN 102 N 0.42 3.97 0.27 2.29 2.47 0.49 -2.02 114.94 122.82 1k3j s ASN 102 Ca -0.08 -0.93 -0.29 0.00 0.42 0.00 0.00 52.86 51.98 1k3j s ASN 102 Cb -0.15 -1.58 -0.09 0.00 -1.45 0.00 0.00 41.25 37.98 1k3j s ASN 102 CO 0.04 -0.10 1.02 1.51 -3.72 0.00 0.00 177.10 175.85 1k3j s ASP 103 N 1.26 7.42 -0.26 -4.21 1.47 -1.25 0.16 116.67 121.26 1k3j s ASP 103 Ca -0.01 2.09 0.18 0.00 1.18 0.00 0.00 52.55 56.00 1k3j s ASP 103 Cb -0.16 -2.62 0.43 0.00 -0.34 0.00 0.00 42.92 40.23 1k3j s ASP 103 CO -0.07 -0.02 1.29 2.30 0.68 0.00 0.00 175.17 179.35 1k3j n ILE 104 N 1.24 0.58 -3.87 2.11 -5.35 -0.62 0.20 119.36 113.65 1k3j n ILE 104 Ca -0.01 -1.82 -0.29 0.00 -0.27 0.00 0.00 62.75 60.36 1k3j n ILE 104 Cb 0.46 1.11 -0.04 0.00 -1.74 0.00 0.00 39.64 39.44 1k3j n ILE 104 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1k3j s SER 105 N -2.41 6.37 0.31 7.28 0.01 0.45 -4.18 113.70 121.53 1k3j s SER 105 Ca 0.18 0.28 0.09 0.00 1.31 0.00 0.00 55.95 57.81 1k3j s SER 105 Cb 0.36 -1.96 0.52 0.00 0.21 0.00 0.00 66.02 65.15 1k3j s SER 105 CO -0.08 0.08 1.73 0.74 0.41 0.00 0.00 173.24 176.11 1k3j h THR 106 N 1.82 1.31 0.00 1.44 2.02 -1.87 -3.15 112.91 114.48 1k3j h THR 106 Ca -0.47 -1.52 0.00 0.00 0.77 0.00 0.00 66.41 65.19 1k3j h THR 106 Cb 1.18 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.33 1k3j h THR 106 CO 0.72 0.45 -1.80 0.59 0.37 0.00 0.00 175.52 175.84 1k3j n ASN 107 N -4.02 0.17 0.00 4.18 3.02 -1.26 -5.09 115.26 112.26 1k3j n ASN 107 Ca -0.02 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 1k3j n ASN 107 Cb 0.47 1.70 0.00 0.00 -0.61 0.00 0.00 39.78 41.34 1k3j n ASN 107 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k3j n GLY 108 N 1.25 3.17 3.36 7.41 0.00 -1.19 -4.86 105.19 114.33 1k3j n GLY 108 Ca -0.03 -1.91 -0.32 0.00 0.00 0.00 0.00 46.02 43.76 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 -2.72 2.50 0.09 2.61 2.01 -1.26 -4.36 115.64 114.51 1k3j s THR 109 Ca 0.00 -0.92 0.09 0.00 0.31 0.00 0.00 61.69 61.16 1k3j s THR 109 Cb 0.00 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 1k3j s THR 109 CO 0.00 0.58 -0.19 0.26 -0.69 0.00 0.00 174.62 174.58 1k3j s TRP 110 N -0.45 2.52 -0.21 4.92 0.51 0.35 -2.62 118.94 123.95 1k3j s TRP 110 Ca 0.05 -0.28 0.01 0.00 -2.12 0.00 0.00 56.10 53.77 1k3j s TRP 110 Cb -0.12 -1.37 0.05 0.00 -0.81 0.00 0.00 33.47 31.22 1k3j s TRP 110 CO 0.01 0.33 -0.09 -0.51 -0.51 0.00 0.00 176.95 176.18 1k3j s LEU 111 N -1.90 2.39 -1.26 2.99 1.43 0.50 0.15 118.68 122.98 1k3j s LEU 111 Ca 0.16 -0.97 -0.11 0.00 -1.03 0.00 0.00 54.13 52.19 1k3j s LEU 111 Cb -0.10 -1.24 0.09 0.00 0.03 0.00 0.00 46.19 44.97 1k3j s LEU 111 CO 0.08 -0.16 0.47 0.59 0.23 0.00 0.00 176.35 177.56 1k3j n ASN 112 N 4.67 -3.24 0.00 2.29 3.02 -1.08 0.64 115.26 121.56 1k3j n ASN 112 Ca -0.14 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 53.97 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 -1.11 0.98 3.42 7.41 0.00 -1.26 -5.03 105.19 109.58 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 1.20 0.00 0.00 0.00 173.32 174.52 1k3j s GLN 114 N -0.64 3.50 0.05 1.61 -1.52 0.21 -5.07 119.66 117.79 1k3j s GLN 114 Ca 0.00 -0.58 -0.31 0.00 -1.95 0.00 0.00 55.36 52.52 1k3j s GLN 114 Cb 0.00 -3.34 -0.06 0.00 -0.22 0.00 0.00 33.01 29.39 1k3j s GLN 114 CO 0.00 -0.26 1.33 0.21 -0.25 0.00 0.00 175.29 176.31 1k3j s LYS 115 N 1.58 4.34 0.38 2.91 2.20 -1.26 -0.37 119.74 129.52 1k3j s LYS 115 Ca 0.05 1.92 0.07 0.00 -0.36 0.00 0.00 55.97 57.66 1k3j s LYS 115 Cb -0.16 -3.41 -0.00 0.00 -1.51 0.00 0.00 37.83 32.75 1k3j s LYS 115 CO 0.03 -0.43 0.48 0.14 -0.36 0.00 0.00 175.35 175.21 1k3j s VAL 116 N 1.60 3.43 0.02 4.02 -7.23 -1.08 -4.95 120.40 116.22 1k3j s VAL 116 Ca 0.62 -1.07 -0.30 0.00 -1.81 0.00 0.00 61.98 59.41 1k3j s VAL 116 Cb -0.32 -3.18 -0.06 0.00 0.56 0.00 0.00 36.38 33.38 1k3j s VAL 116 CO 0.28 -0.08 1.42 -1.61 -0.31 0.00 0.00 175.10 174.81 1k3j s GLU 117 N -4.22 4.28 1.00 4.82 0.41 -1.26 -4.68 118.70 119.05 1k3j s GLU 117 Ca 0.49 2.02 -0.13 0.00 -0.41 0.00 0.00 54.97 56.93 1k3j s GLU 117 Cb -0.09 -3.53 0.09 0.00 -1.78 0.00 0.00 34.13 28.82 1k3j s GLU 117 CO 0.31 -0.57 0.50 1.17 -0.49 0.00 0.00 175.26 176.18 1k3j n LYS 118 N 5.20 -0.77 -2.74 1.61 4.81 -1.26 -2.31 118.16 122.70 1k3j n LYS 118 Ca 0.13 -0.18 -0.13 0.00 -0.87 0.00 0.00 58.31 57.26 1k3j n LYS 118 Cb 0.43 -1.94 -0.02 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 -2.18 -1.01 -4.56 3.14 3.02 0.54 -4.86 115.26 109.35 1k3j n ASN 119 Ca 0.06 -0.15 -0.31 0.00 -0.03 0.00 0.00 54.58 54.14 1k3j n ASN 119 Cb 0.55 -0.94 -0.11 0.00 -0.61 0.00 0.00 39.78 38.67 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 -2.00 4.42 -0.02 6.41 0.15 -0.98 -4.91 113.70 116.77 1k3j s SER 120 Ca 0.26 -0.24 -0.24 0.00 0.70 0.00 0.00 55.95 56.43 1k3j s SER 120 Cb -0.15 -0.95 -0.04 0.00 -1.71 0.00 0.00 66.02 63.17 1k3j s SER 120 CO 0.31 0.26 0.73 0.20 1.20 0.00 0.00 173.24 175.94 1k3j s ASN 121 N -1.52 7.08 0.04 5.45 -0.87 -1.26 -3.87 114.94 120.00 1k3j s ASN 121 Ca 0.17 1.30 0.05 0.00 -1.57 0.00 0.00 52.86 52.81 1k3j s ASN 121 Cb -0.11 -2.43 -0.02 0.00 -0.02 0.00 0.00 41.25 38.66 1k3j s ASN 121 CO 0.08 -0.05 -0.15 -1.10 -2.57 0.00 0.00 177.10 173.31 1k3j s GLN 122 N 0.40 0.97 -0.07 -0.60 -1.52 -0.86 -4.92 119.66 113.06 1k3j s GLN 122 Ca 0.38 -0.81 -0.30 0.00 -1.95 0.00 0.00 55.36 52.68 1k3j s GLN 122 Cb -0.19 -1.00 -0.04 0.00 -0.22 0.00 0.00 33.01 31.57 1k3j s GLN 122 CO 0.20 0.24 1.33 -1.17 -0.25 0.00 0.00 175.29 175.65 1k3j s LEU 123 N -1.23 4.26 0.80 2.90 0.20 -1.26 -1.23 118.68 123.12 1k3j s LEU 123 Ca 0.02 1.91 -0.14 0.00 0.69 0.00 0.00 54.13 56.62 1k3j s LEU 123 Cb -0.08 -3.55 0.07 0.00 -0.43 0.00 0.00 46.19 42.20 1k3j s LEU 123 CO 0.01 -0.72 1.18 -0.11 -0.29 0.00 0.00 176.35 176.43 1k3j n LEU 124 N 5.93 4.37 -4.32 -0.68 7.94 -0.85 -4.90 117.00 124.49 1k3j n LEU 124 Ca 0.13 0.60 -0.23 0.00 -1.11 0.00 0.00 56.01 55.40 1k3j n LEU 124 Cb 0.45 -1.50 -0.12 0.00 0.53 0.00 0.00 43.42 42.78 1k3j n LEU 124 CO 0.57 -1.72 -0.50 -0.44 -1.11 0.00 0.00 177.39 174.20 1k3j s SER 125 N -2.06 2.67 -0.11 1.96 0.01 -1.26 -4.98 113.70 109.92 1k3j s SER 125 Ca 0.74 -0.80 -0.29 0.00 1.31 0.00 0.00 55.95 56.90 1k3j s SER 125 Cb -0.30 -0.16 -0.03 0.00 0.21 0.00 0.00 66.02 65.75 1k3j s SER 125 CO 0.51 0.01 1.42 -1.58 0.41 0.00 0.00 173.24 174.00 1k3j s GLN 126 N -2.46 4.22 -1.42 12.44 2.00 -1.26 -2.43 119.66 130.75 1k3j s GLN 126 Ca 0.12 1.89 0.00 0.00 -2.00 0.00 0.00 55.36 55.37 1k3j s GLN 126 Cb -0.07 -3.83 0.00 0.00 0.80 0.00 0.00 33.01 29.90 1k3j s GLN 126 CO 0.06 -0.75 0.00 0.41 -0.50 0.00 0.00 175.29 174.51 1k3j n GLY 127 N 3.81 1.37 3.32 2.59 0.00 -1.14 -4.96 105.19 110.17 1k3j n GLY 127 Ca 0.15 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.60 -2.28 -3.78 1.61 -0.08 -1.02 -4.46 116.55 105.94 1k3j n ASP 128 Ca -0.13 -0.17 -0.13 0.00 -1.51 0.00 0.00 54.79 52.85 1k3j n ASP 128 Cb 0.50 -1.02 -0.13 0.00 2.34 0.00 0.00 41.12 42.81 1k3j n ASP 128 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1k3j s GLU 129 N -3.70 0.19 -0.16 -0.67 2.12 -1.26 0.69 118.70 115.92 1k3j s GLU 129 Ca 0.59 0.35 -0.02 0.00 0.36 0.00 0.00 54.97 56.25 1k3j s GLU 129 Cb -0.15 -0.01 -0.02 0.00 0.26 0.00 0.00 34.13 34.21 1k3j s GLU 129 CO 0.66 -0.09 -0.07 0.42 -0.54 0.00 0.00 175.26 175.64 1k3j s ILE 130 N 0.61 3.51 -0.10 -3.70 1.01 0.42 -2.64 121.20 120.30 1k3j s ILE 130 Ca -0.04 -0.49 -0.04 0.00 0.00 0.00 0.00 60.65 60.08 1k3j s ILE 130 Cb -0.06 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 1k3j s ILE 130 CO -0.03 0.49 0.06 -0.89 0.00 0.00 0.00 174.94 174.56 1k3j s THR 131 N 0.55 4.78 0.05 2.92 2.01 0.39 -0.23 115.64 126.11 1k3j s THR 131 Ca -0.05 -0.07 -0.01 0.00 0.31 0.00 0.00 61.69 61.87 1k3j s THR 131 Cb -0.15 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 1k3j s THR 131 CO 0.03 0.60 -0.02 0.68 -0.69 0.00 0.00 174.62 175.22 1k3j s VAL 132 N -0.85 0.20 0.00 3.82 -7.23 0.19 0.13 120.40 116.66 1k3j s VAL 132 Ca 0.13 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 1k3j s VAL 132 Cb -0.12 -1.30 0.00 0.00 0.56 0.00 0.00 36.38 35.53 1k3j s VAL 132 CO 0.03 -0.90 0.00 0.61 -0.31 0.00 0.00 175.10 174.52 1k3j n GLY 133 N 0.37 0.89 3.75 2.32 0.00 -1.26 0.10 105.19 111.36 1k3j n GLY 133 Ca -0.16 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.68 3.99 0.00 1.61 1.01 -1.26 -3.37 120.40 119.69 1k3j s VAL 134 Ca 0.00 1.98 0.00 0.00 0.00 0.00 0.00 61.98 63.96 1k3j s VAL 134 Cb 0.00 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1k3j s VAL 134 CO 0.00 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1k3j n GLY 135 N 1.38 2.61 3.01 4.51 0.00 -1.26 -4.99 105.19 110.45 1k3j n GLY 135 Ca -0.02 -0.32 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 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 1.37 0.46 1.61 1.01 -1.26 -5.02 120.40 118.58 1k3j s VAL 136 Ca 0.00 -0.55 0.24 0.00 0.00 0.00 0.00 61.98 61.67 1k3j s VAL 136 Cb 0.00 -1.29 0.43 0.00 0.00 0.00 0.00 36.38 35.53 1k3j s VAL 136 CO 0.00 0.42 1.84 -0.08 0.00 0.00 0.00 175.10 177.28 1k3j h GLU 137 N 7.65 0.23 -0.34 2.72 4.57 -1.99 0.47 114.58 127.89 1k3j h GLU 137 Ca -0.32 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.84 1k3j h GLU 137 Cb 1.16 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 1k3j h GLU 137 CO 0.48 0.15 0.00 0.43 -1.18 0.00 0.00 179.01 178.89 1k3j n SER 138 N -4.43 2.46 -0.94 1.04 7.64 -1.26 -4.20 113.62 113.93 1k3j n SER 138 Ca 0.21 -1.89 0.05 0.00 1.01 0.00 0.00 58.87 58.25 1k3j n SER 138 Cb 0.88 -0.22 0.14 0.00 -1.01 0.00 0.00 64.21 64.00 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 0.84 1.47 -4.69 6.43 -0.08 0.16 -5.04 116.55 115.65 1k3j n ASP 139 Ca 0.17 -3.21 -0.35 0.00 -1.51 0.00 0.00 54.79 49.89 1k3j n ASP 139 Cb 0.43 -0.45 -0.09 0.00 2.34 0.00 0.00 41.12 43.35 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 -2.07 4.36 -0.08 5.18 1.01 -1.18 -4.44 121.20 123.98 1k3j s ILE 140 Ca 0.37 -0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.82 1k3j s ILE 140 Cb 0.38 -2.84 -0.02 0.00 0.01 0.00 0.00 42.46 39.99 1k3j s ILE 140 CO -0.11 0.60 -0.17 -0.22 0.00 0.00 0.00 174.94 175.05 1k3j s LEU 141 N -0.85 2.54 -0.14 2.97 0.20 0.28 -4.95 118.68 118.72 1k3j s LEU 141 Ca 0.13 -0.34 0.01 0.00 0.69 0.00 0.00 54.13 54.62 1k3j s LEU 141 Cb -0.11 -1.53 -0.00 0.00 -0.43 0.00 0.00 46.19 44.11 1k3j s LEU 141 CO 0.02 0.24 -0.16 -0.44 -0.29 0.00 0.00 176.35 175.73 1k3j s SER 142 N -0.13 3.69 -0.03 3.68 0.01 -1.26 0.56 113.70 120.22 1k3j s SER 142 Ca -0.02 -0.44 0.07 0.00 1.31 0.00 0.00 55.95 56.86 1k3j s SER 142 Cb -0.14 -1.56 -0.01 0.00 0.21 0.00 0.00 66.02 64.52 1k3j s SER 142 CO 0.04 0.11 -0.24 -0.76 0.41 0.00 0.00 173.24 172.80 1k3j s LEU 143 N 0.65 2.04 -0.07 2.44 1.02 0.69 -3.87 118.68 121.58 1k3j s LEU 143 Ca -0.08 -0.46 0.01 0.00 0.02 0.00 0.00 54.13 53.62 1k3j s LEU 143 Cb -0.16 -1.27 -0.03 0.00 0.02 0.00 0.00 46.19 44.75 1k3j s LEU 143 CO 0.02 0.27 -0.07 -0.69 0.02 0.00 0.00 176.35 175.90 1k3j s VAL 144 N -0.39 3.68 -0.10 -1.59 1.01 0.44 0.16 120.40 123.61 1k3j s VAL 144 Ca 0.04 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 1k3j s VAL 144 Cb -0.11 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1k3j s VAL 144 CO 0.01 0.59 0.02 -0.63 0.00 0.00 0.00 175.10 175.09 1k3j s ILE 145 N -0.73 4.45 -0.21 2.22 1.01 0.22 0.12 121.20 128.28 1k3j s ILE 145 Ca 0.11 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.59 1k3j s ILE 145 Cb -0.11 -2.90 0.03 0.00 0.01 0.00 0.00 42.46 39.49 1k3j s ILE 145 CO 0.02 0.58 -0.17 0.12 0.00 0.00 0.00 174.94 175.49 1k3j s PHE 146 N -0.67 2.95 0.03 3.97 2.19 0.44 -2.89 117.98 124.01 1k3j s PHE 146 Ca 0.11 -1.87 -0.25 0.00 0.33 0.00 0.00 56.93 55.25 1k3j s PHE 146 Cb -0.12 -1.93 -0.05 0.00 -1.31 0.00 0.00 43.02 39.61 1k3j s PHE 146 CO 0.02 -0.83 0.76 0.42 1.83 0.00 0.00 175.22 177.42 1k3j s ILE 147 N 1.23 4.77 -0.56 3.12 1.01 -1.26 0.89 121.20 130.40 1k3j s ILE 147 Ca 0.00 1.61 -0.26 0.00 0.00 0.00 0.00 60.65 62.01 1k3j s ILE 147 Cb -0.15 -4.11 0.04 0.00 0.01 0.00 0.00 42.46 38.24 1k3j s ILE 147 CO -0.10 0.35 1.03 0.21 0.00 0.00 0.00 174.94 176.43 1k3j s ASN 148 N 0.05 6.37 0.45 3.58 2.47 -1.16 -4.89 114.94 121.80 1k3j s ASN 148 Ca 0.39 -0.20 0.12 0.00 0.42 0.00 0.00 52.86 53.59 1k3j s ASN 148 Cb -0.20 -2.48 1.03 0.00 -1.45 0.00 0.00 41.25 38.15 1k3j s ASN 148 CO 0.22 -1.32 2.04 -2.24 -3.72 0.00 0.00 177.10 172.09 1k3j h ASP 149 N 9.39 0.32 -0.39 -4.21 3.04 -1.94 -1.99 116.42 120.64 1k3j h ASP 149 Ca -0.26 -0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.53 1k3j h ASP 149 Cb 1.07 -0.07 -0.02 0.00 -1.04 0.00 0.00 39.33 39.27 1k3j h ASP 149 CO 1.12 0.21 0.25 0.50 -2.04 0.00 0.00 179.24 179.29 1k3j h LYS 150 N 0.37 0.52 -0.59 4.15 3.64 -1.94 -0.52 116.57 122.20 1k3j h LYS 150 Ca 0.18 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1k3j h LYS 150 Cb 0.26 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 1k3j h LYS 150 CO -0.04 0.37 0.39 0.35 -2.27 0.00 0.00 179.45 178.24 1k3j h PHE 151 N 0.52 0.75 -0.44 1.91 3.57 -1.60 -2.37 116.94 119.28 1k3j h PHE 151 Ca 0.14 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.59 1k3j h PHE 151 Cb -0.03 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.43 1k3j h PHE 151 CO -0.04 0.48 -0.01 -0.22 -2.23 0.00 0.00 178.31 176.28 1k3j h LYS 152 N 0.80 0.73 -0.96 1.11 3.64 -1.25 -2.70 116.57 117.94 1k3j h LYS 152 Ca 0.22 -0.19 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1k3j h LYS 152 Cb -0.08 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.60 1k3j h LYS 152 CO -0.05 0.75 0.63 1.96 -2.27 0.00 0.00 179.45 180.47 1k3j h GLN 153 N 0.68 1.20 -0.31 1.90 1.08 -0.58 0.34 115.11 119.42 1k3j h GLN 153 Ca 0.13 -0.07 -0.09 0.00 -1.45 0.00 0.00 58.65 57.18 1k3j h GLN 153 Cb 0.44 -0.27 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 1k3j h GLN 153 CO 0.02 0.79 -0.14 0.00 -0.95 0.00 0.00 178.83 178.55 1k3j h LEU 155 N 0.41 -0.01 -1.64 0.00 -0.00 -1.15 0.95 115.31 113.88 1k3j h LEU 155 Ca 0.07 -0.45 0.01 0.00 -0.00 0.00 0.00 57.88 57.51 1k3j h LEU 155 Cb 0.67 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.31 1k3j h LEU 155 CO 0.04 0.45 0.26 1.05 -0.00 0.00 0.00 178.44 180.24 1k3j h GLU 156 N -0.46 0.48 0.12 1.13 4.11 -0.39 -2.67 114.58 116.90 1k3j h GLU 156 Ca -0.00 -0.03 -0.33 0.00 0.07 0.00 0.00 59.36 59.07 1k3j h GLU 156 Cb 0.45 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1k3j h GLU 156 CO 0.00 0.32 -1.76 0.37 0.07 0.00 0.00 179.01 178.01 1k3j h GLN 157 N 0.49 0.26 -5.62 1.06 5.75 -1.27 -3.48 115.11 112.31 1k3j h GLN 157 Ca 0.15 -0.44 -0.23 0.00 -0.15 0.00 0.00 58.65 57.98 1k3j h GLN 157 Cb -0.01 0.16 -0.12 0.00 1.07 0.00 0.00 27.48 28.58 1k3j h GLN 157 CO -0.03 1.11 -0.33 0.27 -2.65 0.00 0.00 178.83 177.20 1k3j n ASN 158 N -3.44 -1.65 -4.55 -0.69 0.23 0.33 -4.89 115.26 100.60 1k3j n ASN 158 Ca -0.23 -0.11 -0.34 0.00 -0.53 0.00 0.00 54.58 53.37 1k3j n ASN 158 Cb 1.05 -1.49 -0.12 0.00 -2.08 0.00 0.00 39.78 37.14 1k3j n ASN 158 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1k3j s LYS 159 N -5.75 3.21 0.02 -3.83 1.02 -1.26 -5.08 119.74 108.06 1k3j s LYS 159 Ca 0.28 -0.53 -0.22 0.00 0.02 0.00 0.00 55.97 55.53 1k3j s LYS 159 Cb -0.16 -2.75 -0.06 0.00 -0.52 0.00 0.00 37.83 34.34 1k3j s LYS 159 CO 0.34 0.47 0.64 0.14 -0.92 0.00 0.00 175.35 176.03 1k3j s VAL 160 N -0.26 4.83 0.04 3.17 -7.23 -1.26 -5.07 120.40 114.62 1k3j s VAL 160 Ca 0.04 1.36 0.01 0.00 -1.81 0.00 0.00 61.98 61.59 1k3j s VAL 160 Cb -0.13 -3.99 -0.03 0.00 0.56 0.00 0.00 36.38 32.80 1k3j s VAL 160 CO 0.02 0.42 -0.06 -0.62 -0.31 0.00 0.00 175.10 174.55 1k3j s ASP 161 N -0.24 0.68 -0.09 4.85 2.15 -1.26 -5.15 116.67 117.61 1k3j s ASP 161 Ca 0.33 -0.62 -0.02 0.00 0.43 0.00 0.00 52.55 52.67 1k3j s ASP 161 Cb -0.19 0.07 0.04 0.00 -0.30 0.00 0.00 42.92 42.54 1k3j s ASP 161 CO 0.19 -0.29 0.04 -0.13 -0.17 0.00 0.00 175.17 174.80 1k3j s ARG 162 N -1.98 0.34 0.23 4.34 1.81 -1.26 -5.13 118.95 117.29 1k3j s ARG 162 Ca -0.08 0.09 -0.30 0.00 -1.72 0.00 0.00 55.73 53.72 1k3j s ARG 162 Cb -0.07 -1.11 -0.09 0.00 -0.45 0.00 0.00 34.95 33.23 1k3j s ARG 162 CO -0.01 -0.41 1.04 0.96 -0.68 0.00 0.00 175.30 176.19 1k3j s ILE 163 N 2.04 3.84 0.00 1.52 -0.00 -1.26 -5.38 121.20 121.96 1k3j s ILE 163 Ca 0.04 1.76 0.00 0.00 -0.00 0.00 0.00 60.65 62.45 1k3j s ILE 163 Cb -0.13 -4.12 0.00 0.00 -0.00 0.00 0.00 42.46 38.20 1k3j s ILE 163 CO -0.05 0.38 0.00 0.54 -0.00 0.00 0.00 174.94 175.81