#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 0.22 -0.09 0.00 5.66 -1.26 -4.40 114.28 114.41 1k3j n THR 15 Ca 0.00 -0.11 -0.09 0.00 -3.05 0.00 0.00 64.05 60.81 1k3j n THR 15 Cb 0.00 -0.76 -0.01 0.00 -1.55 0.00 0.00 70.33 68.01 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 0.41 -0.31 1.09 4.20 -2.06 -2.15 115.11 116.29 1k3j h GLN 16 Ca -0.09 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.49 1k3j h GLN 16 Cb 1.16 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 1k3j h GLN 16 CO -0.01 0.27 -0.25 0.07 -0.67 0.00 0.00 178.83 178.24 1k3j h ARG 17 N 0.42 0.61 -0.78 1.46 0.11 -2.01 -2.99 114.38 111.20 1k3j h ARG 17 Ca 0.11 -0.24 0.03 0.00 0.10 0.00 0.00 59.98 59.98 1k3j h ARG 17 Cb -0.05 -0.03 -0.05 0.00 1.11 0.00 0.00 29.97 30.95 1k3j h ARG 17 CO -0.02 0.81 0.50 0.35 0.10 0.00 0.00 179.97 181.70 1k3j h PHE 18 N 0.54 0.93 -0.50 4.08 3.57 -1.67 -0.22 116.94 123.66 1k3j h PHE 18 Ca 0.07 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1k3j h PHE 18 Cb 0.72 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1k3j h PHE 18 CO 0.03 0.54 0.32 -0.07 -2.23 0.00 0.00 178.31 176.90 1k3j h LEU 19 N 0.97 0.59 -0.90 0.59 3.38 -1.26 -2.47 115.31 116.21 1k3j h LEU 19 Ca 0.31 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.15 1k3j h LEU 19 Cb 0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1k3j h LEU 19 CO -0.11 0.44 -0.25 0.40 0.09 0.00 0.00 178.44 179.01 1k3j h ILE 20 N 0.68 1.27 -0.71 1.22 1.08 -1.38 -2.81 117.51 116.86 1k3j h ILE 20 Ca 0.18 -1.28 0.07 0.00 -0.39 0.00 0.00 64.86 63.44 1k3j h ILE 20 Cb -0.05 1.34 -0.04 0.00 -3.07 0.00 0.00 36.82 34.99 1k3j h ILE 20 CO -0.04 0.41 0.47 -0.33 -0.69 0.00 0.00 178.15 177.97 1k3j h GLU 21 N 0.46 0.67 0.00 2.37 4.39 -0.59 0.19 114.58 122.07 1k3j h GLU 21 Ca 0.07 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 1k3j h GLU 21 Cb 0.68 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1k3j h GLU 21 CO 0.05 0.44 -0.14 -0.22 -1.16 0.00 0.00 179.01 177.99 1k3j h LYS 22 N 0.69 0.00 -0.39 2.33 3.64 -1.27 -3.01 116.57 118.56 1k3j h LYS 22 Ca 0.31 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.74 1k3j h LYS 22 Cb 0.33 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.11 1k3j h LYS 22 CO -0.10 0.14 0.14 0.35 -2.27 0.00 0.00 179.45 177.70 1k3j h PHE 23 N 0.00 0.25 -0.26 1.91 3.04 -0.65 -1.79 116.94 119.44 1k3j h PHE 23 Ca -0.00 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.91 1k3j h PHE 23 Cb 0.47 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 38.91 1k3j h PHE 23 CO 0.00 0.10 -0.08 1.03 -2.02 0.00 0.00 178.31 177.34 1k3j h SER 24 N 0.30 0.40 -0.48 0.41 0.87 -1.59 -3.29 113.55 110.17 1k3j h SER 24 Ca 0.18 -0.09 -0.72 0.00 -1.23 0.00 0.00 61.79 59.93 1k3j h SER 24 Cb 0.15 -0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 61.93 1k3j h SER 24 CO -0.18 0.53 2.83 0.00 -0.53 0.00 0.00 176.83 179.48 1k3j n GLN 25 N -4.25 3.25 -3.02 2.24 1.13 -0.67 -4.95 117.38 111.11 1k3j n GLN 25 Ca 0.01 -2.89 -0.40 0.00 -1.94 0.00 0.00 57.00 51.77 1k3j n GLN 25 Cb 0.28 -3.10 -0.05 0.00 0.11 0.00 0.00 30.24 27.48 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 2.02 4.45 -0.57 -1.09 2.02 -1.24 -4.96 118.70 119.33 1k3j s GLU 26 Ca 0.47 0.92 -0.28 0.00 0.02 0.00 0.00 54.97 56.10 1k3j s GLU 26 Cb 0.13 -3.45 0.03 0.00 0.10 0.00 0.00 34.13 30.94 1k3j s GLU 26 CO -0.06 0.06 1.24 -0.65 0.02 0.00 0.00 175.26 175.87 1k3j s GLN 27 N 0.80 3.49 0.17 1.61 -0.21 -1.26 -5.00 119.66 119.26 1k3j s GLN 27 Ca 0.39 0.33 -0.28 0.00 0.02 0.00 0.00 55.36 55.82 1k3j s GLN 27 Cb -0.18 -4.03 -0.08 0.00 1.00 0.00 0.00 33.01 29.72 1k3j s GLN 27 CO 0.19 -1.71 0.86 0.42 -2.12 0.00 0.00 175.29 172.93 1k3j s ILE 28 N 5.15 4.33 -0.39 1.08 -1.09 -1.26 -3.94 121.20 125.08 1k3j s ILE 28 Ca 0.46 1.90 -0.02 0.00 -2.23 0.00 0.00 60.65 60.75 1k3j s ILE 28 Cb -0.08 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.56 1k3j s ILE 28 CO 0.26 0.46 0.33 0.61 -1.23 0.00 0.00 174.94 175.37 1k3j n GLY 29 N 1.77 0.41 0.19 6.18 0.00 -1.26 -4.96 105.19 107.51 1k3j n GLY 29 Ca -0.03 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 1k3j n GLY 29 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1k3j h GLU 30 N -0.72 0.46 0.00 1.61 4.81 -2.01 -3.42 114.58 115.31 1k3j h GLU 30 Ca -0.17 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1k3j h GLU 30 Cb 1.11 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1k3j h GLU 30 CO 0.16 0.94 0.00 -1.71 -0.73 0.00 0.00 179.01 177.67 1k3j n ASN 31 N -3.90 0.00 -4.74 1.04 2.85 -1.26 -5.09 115.26 104.15 1k3j n ASN 31 Ca -0.04 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.02 1k3j n ASN 31 Cb 0.65 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.63 1k3j n ASN 31 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1k3j s ILE 32 N 0.00 3.53 -0.15 -1.44 -1.09 -1.26 -0.86 121.20 119.92 1k3j s ILE 32 Ca 0.00 1.31 -0.11 0.00 -2.23 0.00 0.00 60.65 59.61 1k3j s ILE 32 Cb 0.00 -3.83 -0.05 0.00 -1.58 0.00 0.00 42.46 37.00 1k3j s ILE 32 CO 0.00 0.22 -0.18 0.52 -1.23 0.00 0.00 174.94 174.27 1k3j n VAL 33 N 2.38 1.44 -3.97 2.92 0.31 0.44 -4.56 118.33 117.29 1k3j n VAL 33 Ca 0.04 0.18 -0.10 0.00 -0.01 0.00 0.00 64.34 64.45 1k3j n VAL 33 Cb 0.45 -2.36 -0.07 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 -3.97 1.94 -0.23 0.00 1.81 0.39 0.15 118.95 119.03 1k3j s ARG 35 Ca 0.18 -0.47 -0.16 0.00 -1.72 0.00 0.00 55.73 53.55 1k3j s ARG 35 Cb 0.03 -1.66 -0.04 0.00 -0.45 0.00 0.00 34.95 32.84 1k3j s ARG 35 CO 0.00 -0.04 0.42 0.14 -0.68 0.00 0.00 175.30 175.15 1k3j s VAL 36 N 0.90 5.16 -0.11 3.52 -7.23 -0.97 0.14 120.40 121.82 1k3j s VAL 36 Ca -0.09 0.72 0.00 0.00 -1.81 0.00 0.00 61.98 60.80 1k3j s VAL 36 Cb -0.15 -3.75 0.02 0.00 0.56 0.00 0.00 36.38 33.06 1k3j s VAL 36 CO 0.01 0.19 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.27 1k3j s ILE 37 N 1.72 1.05 -0.14 -0.62 1.01 0.28 -1.80 121.20 122.71 1k3j s ILE 37 Ca 0.19 -0.33 -0.28 0.00 0.00 0.00 0.00 60.65 60.23 1k3j s ILE 37 Cb -0.15 -1.05 -0.01 0.00 0.01 0.00 0.00 42.46 41.26 1k3j s ILE 37 CO 0.09 0.37 0.96 0.00 0.00 0.00 0.00 174.94 176.35 1k3j h THR 39 N 5.16 0.54 0.00 0.00 1.35 -1.89 -3.32 112.91 114.75 1k3j h THR 39 Ca -0.29 -2.02 0.00 0.00 -0.55 0.00 0.00 66.41 63.55 1k3j h THR 39 Cb 1.13 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 69.62 1k3j h THR 39 CO 0.87 0.31 0.00 0.35 -0.25 0.00 0.00 175.52 176.79 1k3j n THR 40 N -2.93 0.00 -2.67 6.82 -2.24 -1.25 -4.95 114.28 107.07 1k3j n THR 40 Ca -0.08 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.67 1k3j n THR 40 Cb 0.83 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 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 -1.11 1.20 3.38 0.00 -1.25 -4.99 105.19 103.52 1k3j n GLY 41 Ca 0.20 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.84 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 -1.05 0.00 -4.69 1.61 6.02 -1.26 -5.11 117.38 112.90 1k3j n GLN 42 Ca 0.04 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.70 1k3j n GLN 42 Cb 0.44 -0.16 -0.12 0.00 1.02 0.00 0.00 30.24 31.43 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 -1.60 3.47 0.37 5.09 1.09 -1.26 -4.87 121.20 123.49 1k3j s ILE 43 Ca 0.00 -0.62 -0.26 0.00 -1.10 0.00 0.00 60.65 58.67 1k3j s ILE 43 Cb 0.00 -2.41 -0.09 0.00 -1.06 0.00 0.00 42.46 38.90 1k3j s ILE 43 CO 0.00 0.56 1.10 -2.16 -0.10 0.00 0.00 174.94 174.34 1k3j s PRO 44 N -0.89 4.25 0.43 2.79 0.04 -1.26 -4.19 135.00 136.16 1k3j s PRO 44 Ca 0.13 1.70 -0.25 0.00 0.04 0.00 0.00 61.00 62.62 1k3j s PRO 44 Cb -0.11 -2.76 -0.10 0.00 0.04 0.00 0.00 34.50 31.58 1k3j s PRO 44 CO 0.02 -0.11 1.24 -0.89 0.04 0.00 0.00 177.00 177.30 1k3j n ILE 45 N 0.31 2.61 -4.33 0.56 5.41 -1.26 -4.86 119.36 117.80 1k3j n ILE 45 Ca 0.03 -0.50 -0.17 0.00 1.00 0.00 0.00 62.75 63.11 1k3j n ILE 45 Cb 0.47 -1.51 -0.10 0.00 -0.71 0.00 0.00 39.64 37.79 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 -2.22 1.30 -0.19 0.38 6.06 -0.74 -5.02 118.95 118.53 1k3j s ARG 46 Ca 0.62 -1.64 0.01 0.00 -2.50 0.00 0.00 55.73 52.22 1k3j s ARG 46 Cb -0.51 -0.71 0.02 0.00 0.06 0.00 0.00 34.95 33.81 1k3j s ARG 46 CO 0.57 -0.03 -0.18 0.16 -2.50 0.00 0.00 175.30 173.32 1k3j s ASP 47 N -3.29 3.29 -0.21 -2.12 1.47 -1.26 -2.29 116.67 112.26 1k3j s ASP 47 Ca 0.26 -0.68 -0.16 0.00 1.18 0.00 0.00 52.55 53.15 1k3j s ASP 47 Cb 0.04 -1.50 -0.04 0.00 -0.34 0.00 0.00 42.92 41.08 1k3j s ASP 47 CO 0.07 -0.01 0.40 -0.76 0.68 0.00 0.00 175.17 175.55 1k3j s LEU 48 N 1.29 4.14 0.07 2.11 1.02 0.12 -5.00 118.68 122.44 1k3j s LEU 48 Ca 0.04 0.50 0.02 0.00 0.02 0.00 0.00 54.13 54.71 1k3j s LEU 48 Cb -0.14 -2.51 -0.03 0.00 0.02 0.00 0.00 46.19 43.53 1k3j s LEU 48 CO -0.12 -0.09 -0.07 -0.94 0.02 0.00 0.00 176.35 175.15 1k3j s SER 49 N 1.10 0.97 -0.13 2.29 1.04 -1.26 0.17 113.70 117.87 1k3j s SER 49 Ca 0.19 -0.83 -0.15 0.00 0.48 0.00 0.00 55.95 55.64 1k3j s SER 49 Cb -0.15 0.08 0.04 0.00 0.10 0.00 0.00 66.02 66.09 1k3j s SER 49 CO 0.08 -0.38 0.41 0.00 0.98 0.00 0.00 173.24 174.33 1k3j s ALA 50 N -2.78 -1.01 0.03 5.32 0.00 -0.04 -4.78 121.76 118.49 1k3j s ALA 50 Ca 0.03 1.04 -0.30 0.00 0.00 0.00 0.00 51.96 52.72 1k3j s ALA 50 Cb -0.00 -0.53 -0.05 0.00 0.00 0.00 0.00 23.12 22.53 1k3j s ALA 50 CO -0.03 -0.21 1.18 -0.51 0.00 0.00 0.00 175.76 176.19 1k3j s ASP 51 N -0.07 7.10 0.25 0.00 1.11 -1.26 -4.70 116.67 119.09 1k3j s ASP 51 Ca -0.03 1.94 -0.04 0.00 0.18 0.00 0.00 52.55 54.61 1k3j s ASP 51 Cb -0.03 -2.57 0.30 0.00 1.07 0.00 0.00 42.92 41.68 1k3j s ASP 51 CO 0.01 -0.48 1.78 0.40 1.18 0.00 0.00 175.17 178.07 1k3j h ILE 52 N 4.66 1.24 -0.83 0.77 2.04 -1.99 -2.69 117.51 120.72 1k3j h ILE 52 Ca -0.40 -0.89 0.07 0.00 1.00 0.00 0.00 64.86 64.64 1k3j h ILE 52 Cb 1.20 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 37.86 1k3j h ILE 52 CO 0.82 0.33 0.51 -1.28 0.00 0.00 0.00 178.15 178.54 1k3j h SER 53 N 0.89 0.79 -0.17 1.72 0.87 -1.97 0.33 113.55 116.00 1k3j h SER 53 Ca 0.19 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.72 1k3j h SER 53 Cb 0.34 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1k3j h SER 53 CO 0.00 0.49 -0.09 1.56 -0.53 0.00 0.00 176.83 178.26 1k3j h GLN 54 N 0.92 0.37 -0.62 2.24 4.20 -1.93 -1.10 115.11 119.19 1k3j h GLN 54 Ca 0.37 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.86 1k3j h GLN 54 Cb 0.20 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 1k3j h GLN 54 CO -0.19 0.69 0.17 0.28 -0.67 0.00 0.00 178.83 179.11 1k3j h VAL 55 N 0.04 1.24 -0.25 -0.54 2.07 -1.11 0.60 116.25 118.30 1k3j h VAL 55 Ca 0.04 -0.85 -0.15 0.00 0.82 0.00 0.00 66.70 66.56 1k3j h VAL 55 Cb 0.58 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1k3j h VAL 55 CO 0.03 0.33 -0.41 0.25 0.02 0.00 0.00 177.57 177.78 1k3j h LEU 56 N 0.91 0.80 0.07 2.57 6.46 -0.33 -3.28 115.31 122.50 1k3j h LEU 56 Ca 0.20 -0.52 -0.28 0.00 -0.12 0.00 0.00 57.88 57.15 1k3j h LEU 56 Cb 0.30 -0.23 0.03 0.00 -0.73 0.00 0.00 40.66 40.03 1k3j h LEU 56 CO -0.00 1.17 -1.14 0.07 -0.62 0.00 0.00 178.44 177.92 1k3j h LYS 57 N 0.45 0.65 -6.65 1.25 2.10 -1.04 -3.45 116.57 109.89 1k3j h LYS 57 Ca 0.02 -0.79 -0.52 0.00 -2.00 0.00 0.00 60.65 57.35 1k3j h LYS 57 Cb 1.01 0.25 0.05 0.00 -0.90 0.00 0.00 32.23 32.64 1k3j h LYS 57 CO 0.09 1.35 0.90 -2.00 -2.00 0.00 0.00 179.45 177.80 1k3j s GLU 58 N -3.13 4.19 -0.46 0.07 2.12 0.21 -4.91 118.70 116.79 1k3j s GLU 58 Ca -0.10 2.44 0.03 0.00 0.36 0.00 0.00 54.97 57.70 1k3j s GLU 58 Cb 0.06 -3.12 0.48 0.00 0.26 0.00 0.00 34.13 31.81 1k3j s GLU 58 CO 0.93 -0.63 1.65 0.36 -0.54 0.00 0.00 175.26 177.02 1k3j n LYS 59 N 3.66 2.82 -3.65 4.30 -0.00 -1.26 -4.86 118.16 119.17 1k3j n LYS 59 Ca 0.13 -3.55 -0.22 0.00 -0.00 0.00 0.00 58.31 54.67 1k3j n LYS 59 Cb 0.38 -2.20 -0.03 0.00 -0.00 0.00 0.00 35.03 33.18 1k3j n LYS 59 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1k3j s ARG 60 N -3.62 2.46 0.15 -1.58 0.52 -1.26 -5.04 118.95 110.59 1k3j s ARG 60 Ca 0.56 -1.62 -0.07 0.00 -0.52 0.00 0.00 55.73 54.07 1k3j s ARG 60 Cb 0.46 -2.31 -0.01 0.00 0.52 0.00 0.00 34.95 33.61 1k3j s ARG 60 CO 0.02 -0.24 1.42 0.66 0.02 0.00 0.00 175.30 177.18 1k3j h SER 61 N 1.04 0.78 -4.33 0.23 4.64 -1.97 -3.43 113.55 110.50 1k3j h SER 61 Ca -0.41 -0.45 -0.66 0.00 -0.47 0.00 0.00 61.79 59.80 1k3j h SER 61 Cb 1.27 -0.23 -0.27 0.00 -0.31 0.00 0.00 62.40 62.86 1k3j h SER 61 CO 0.59 1.21 -0.87 -0.63 -0.87 0.00 0.00 176.83 176.26 1k3j s ILE 62 N -3.94 1.98 -0.04 0.95 -1.09 -1.26 -3.40 121.20 114.39 1k3j s ILE 62 Ca -0.09 -1.28 -0.09 0.00 -2.23 0.00 0.00 60.65 56.96 1k3j s ILE 62 Cb 0.10 -1.69 -0.03 0.00 -1.58 0.00 0.00 42.46 39.26 1k3j s ILE 62 CO 0.87 0.35 -0.17 0.29 -1.23 0.00 0.00 174.94 175.05 1k3j n LYS 63 N 1.91 0.26 -3.77 2.79 4.76 0.14 -4.97 118.16 119.27 1k3j n LYS 63 Ca -0.17 0.10 -0.15 0.00 -2.87 0.00 0.00 58.31 55.23 1k3j n LYS 63 Cb 0.52 -0.95 -0.16 0.00 -1.84 0.00 0.00 35.03 32.60 1k3j n LYS 63 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1k3j s LYS 64 N -2.43 -0.03 -0.03 1.97 2.20 -1.15 -4.98 119.74 115.30 1k3j s LYS 64 Ca -0.14 0.20 0.06 0.00 -0.36 0.00 0.00 55.97 55.72 1k3j s LYS 64 Cb 0.02 -0.23 -0.01 0.00 -1.51 0.00 0.00 37.83 36.10 1k3j s LYS 64 CO 0.21 -0.16 -0.20 0.08 -0.36 0.00 0.00 175.35 174.91 1k3j s VAL 65 N 1.04 1.62 -0.12 4.02 1.01 -1.26 -0.37 120.40 126.35 1k3j s VAL 65 Ca -0.09 -0.86 -0.06 0.00 0.00 0.00 0.00 61.98 60.97 1k3j s VAL 65 Cb -0.12 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 1k3j s VAL 65 CO -0.03 0.46 0.12 0.26 0.00 0.00 0.00 175.10 175.91 1k3j s TRP 66 N -0.32 3.54 -0.14 5.22 0.51 0.50 -4.87 118.94 123.38 1k3j s TRP 66 Ca 0.04 0.48 -0.02 0.00 -2.12 0.00 0.00 56.10 54.48 1k3j s TRP 66 Cb -0.09 -1.93 -0.02 0.00 -0.81 0.00 0.00 33.47 30.61 1k3j s TRP 66 CO 0.00 0.69 -0.08 0.99 -0.51 0.00 0.00 176.95 178.04 1k3j s THR 67 N -0.96 3.52 0.06 2.01 2.01 -1.26 0.18 115.64 121.20 1k3j s THR 67 Ca 0.14 -0.49 0.10 0.00 0.31 0.00 0.00 61.69 61.75 1k3j s THR 67 Cb -0.12 -2.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.85 1k3j s THR 67 CO 0.04 0.51 -0.26 -0.36 -0.69 0.00 0.00 174.62 173.85 1k3j s PHE 68 N 0.30 2.31 -4.16 4.92 0.40 0.51 0.19 117.98 122.44 1k3j s PHE 68 Ca -0.06 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.86 1k3j s PHE 68 Cb -0.15 -1.36 0.00 0.00 0.51 0.00 0.00 43.02 42.02 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 -1.20 0.00 4.36 0.00 -0.82 0.13 105.19 109.28 1k3j n GLY 69 Ca -0.17 -1.13 0.15 0.00 0.00 0.00 0.00 46.02 44.87 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 0.00 0.90 -2.97 1.61 0.63 0.32 -2.38 116.66 114.77 1k3j n ARG 70 Ca 0.00 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.53 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 -2.07 7.15 0.21 6.15 2.47 0.10 -4.86 114.94 124.09 1k3j s ASN 71 Ca 0.44 1.38 0.20 0.00 0.42 0.00 0.00 52.86 55.30 1k3j s ASN 71 Cb 0.21 -2.46 0.88 0.00 -1.45 0.00 0.00 41.25 38.43 1k3j s ASN 71 CO 0.37 -0.07 1.60 -2.65 -3.72 0.00 0.00 177.10 172.63 1k3j n PRO 72 N 3.29 0.13 0.05 0.43 -0.02 -1.26 -1.95 135.00 135.68 1k3j n PRO 72 Ca -0.01 0.45 -0.22 0.00 -2.02 0.00 0.00 63.50 61.71 1k3j n PRO 72 Cb 0.51 -1.80 -0.15 0.00 -0.02 0.00 0.00 33.50 32.04 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 2.22 0.01 -1.21 3.55 0.00 -1.93 -3.47 119.26 118.43 1k3j h ALA 73 Ca 0.00 -0.90 -0.66 0.00 0.00 0.00 0.00 54.91 53.35 1k3j h ALA 73 Cb 0.23 0.28 0.12 0.00 0.00 0.00 0.00 17.79 18.41 1k3j h ALA 73 CO 0.00 0.65 -0.52 0.00 0.00 0.00 0.00 179.25 179.38 1k3j h ASP 75 N 1.00 0.00 -3.41 0.00 5.19 0.18 -3.39 116.42 115.99 1k3j h ASP 75 Ca -0.31 0.00 -0.49 0.00 -0.62 0.00 0.00 57.03 55.61 1k3j h ASP 75 Cb 1.43 0.00 -0.34 0.00 0.18 0.00 0.00 39.33 40.60 1k3j h ASP 75 CO 0.56 0.00 -0.80 -0.47 -3.12 0.00 0.00 179.24 175.40 1k3j s TYR 76 N -3.97 1.30 -0.39 4.55 5.04 -0.31 -4.94 117.35 118.63 1k3j s TYR 76 Ca -0.04 -0.48 -0.09 0.00 -2.44 0.00 0.00 57.07 54.03 1k3j s TYR 76 Cb 0.09 -0.99 0.05 0.00 0.35 0.00 0.00 41.96 41.47 1k3j s TYR 76 CO 0.30 -0.28 0.20 -1.58 -1.34 0.00 0.00 175.55 172.86 1k3j s HIS 77 N 0.80 3.29 0.00 4.97 2.46 -1.26 -1.94 115.29 123.61 1k3j s HIS 77 Ca -0.12 -1.34 0.00 0.00 0.47 0.00 0.00 55.06 54.06 1k3j s HIS 77 Cb -0.15 -2.63 0.00 0.00 -0.13 0.00 0.00 32.58 29.66 1k3j s HIS 77 CO 0.02 -0.76 0.38 1.28 -2.47 0.00 0.00 174.74 173.19 1k3j n LEU 78 N 4.91 0.11 0.00 8.88 4.77 -1.00 -4.68 117.00 129.99 1k3j n LEU 78 Ca -0.11 0.67 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1k3j n LEU 78 Cb 0.44 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1k3j n LEU 78 CO 0.36 -0.47 0.00 0.61 -1.33 0.00 0.00 177.39 176.56 1k3j n GLY 79 N 0.86 -1.76 2.72 -0.72 0.00 -1.26 -4.48 105.19 100.55 1k3j n GLY 79 Ca 0.00 0.65 -0.07 0.00 0.00 0.00 0.00 46.02 46.60 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 -2.17 -4.39 1.61 6.94 -1.26 -4.97 115.26 111.01 1k3j n ASN 80 Ca 0.00 -3.12 -0.40 0.00 -0.02 0.00 0.00 54.58 51.04 1k3j n ASN 80 Cb 0.00 1.67 -0.11 0.00 -2.36 0.00 0.00 39.78 38.98 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 0.31 4.55 0.35 1.53 1.09 -1.26 -4.96 121.20 122.80 1k3j s ILE 81 Ca 0.24 -0.74 0.06 0.00 -1.10 0.00 0.00 60.65 59.12 1k3j s ILE 81 Cb 0.27 -3.47 0.30 0.00 -1.06 0.00 0.00 42.46 38.50 1k3j s ILE 81 CO -0.12 -0.14 1.91 0.28 -0.10 0.00 0.00 174.94 176.77 1k3j h SER 82 N 8.40 0.71 0.22 3.58 0.02 -1.99 0.11 113.55 124.59 1k3j h SER 82 Ca -0.27 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1k3j h SER 82 Cb 1.12 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1k3j h SER 82 CO 0.65 0.42 0.00 -0.09 -1.14 0.00 0.00 176.83 176.67 1k3j h ARG 83 N 0.78 0.00 -6.15 3.45 9.65 -1.93 -3.42 114.38 116.77 1k3j h ARG 83 Ca 0.38 0.00 -0.61 0.00 -1.10 0.00 0.00 59.98 58.65 1k3j h ARG 83 Cb 0.43 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 28.94 1k3j h ARG 83 CO -0.15 0.00 -0.57 -0.51 2.80 0.00 0.00 179.97 181.54 1k3j s LEU 84 N -5.37 3.90 0.45 3.80 1.43 0.37 -4.37 118.68 118.90 1k3j s LEU 84 Ca -0.02 -0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.11 1k3j s LEU 84 Cb 0.10 -2.54 0.01 0.00 0.03 0.00 0.00 46.19 43.78 1k3j s LEU 84 CO 0.35 0.13 0.63 -0.94 0.23 0.00 0.00 176.35 176.75 1k3j s SER 85 N -2.70 5.64 0.16 2.29 1.04 -1.26 -4.84 113.70 114.02 1k3j s SER 85 Ca 0.31 -0.11 -0.29 0.00 0.48 0.00 0.00 55.95 56.33 1k3j s SER 85 Cb -0.11 -1.01 -0.03 0.00 0.10 0.00 0.00 66.02 64.97 1k3j s SER 85 CO 0.24 -0.80 1.55 0.78 0.98 0.00 0.00 173.24 175.98 1k3j h ASN 86 N 0.47 -1.87 -3.48 7.02 2.35 -1.93 -1.84 115.58 116.30 1k3j h ASN 86 Ca -0.43 0.28 -0.67 0.00 -0.55 0.00 0.00 56.30 54.94 1k3j h ASN 86 Cb 1.28 0.82 -0.38 0.00 0.05 0.00 0.00 38.32 40.09 1k3j h ASN 86 CO 0.51 -0.31 -0.37 -0.54 -1.65 0.00 0.00 177.43 175.07 1k3j s LYS 87 N -5.66 2.74 0.14 0.81 1.02 -1.26 0.12 119.74 117.65 1k3j s LYS 87 Ca -0.13 -3.14 -0.17 0.00 0.02 0.00 0.00 55.97 52.55 1k3j s LYS 87 Cb 0.12 -3.66 -0.01 0.00 -0.52 0.00 0.00 37.83 33.76 1k3j s LYS 87 CO 0.64 -1.24 1.79 1.25 -0.92 0.00 0.00 175.35 176.87 1k3j h HIS 88 N 5.97 0.39 -3.93 3.18 2.76 0.14 -3.35 115.15 120.30 1k3j h HIS 88 Ca 0.10 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.18 1k3j h HIS 88 Cb 0.82 -0.13 -0.14 0.00 1.55 0.00 0.00 27.41 29.51 1k3j h HIS 88 CO 0.69 0.24 -0.43 -0.59 -1.30 0.00 0.00 177.93 176.54 1k3j s PHE 89 N -6.17 0.31 0.01 5.26 -0.71 -0.03 0.16 117.98 116.82 1k3j s PHE 89 Ca -0.13 -0.74 0.02 0.00 -1.04 0.00 0.00 56.93 55.04 1k3j s PHE 89 Cb 0.10 -0.14 -0.01 0.00 -1.21 0.00 0.00 43.02 41.76 1k3j s PHE 89 CO 0.71 -0.55 -0.06 -1.14 -1.34 0.00 0.00 175.22 172.84 1k3j s GLN 90 N -3.91 0.46 -0.15 1.99 0.74 0.46 0.19 119.66 119.45 1k3j s GLN 90 Ca 0.09 -0.41 0.02 0.00 0.05 0.00 0.00 55.36 55.11 1k3j s GLN 90 Cb 0.05 -0.36 0.01 0.00 1.10 0.00 0.00 33.01 33.81 1k3j s GLN 90 CO -0.08 0.09 -0.20 0.42 -0.55 0.00 0.00 175.29 174.97 1k3j s ILE 91 N -0.63 2.24 0.09 -2.34 1.01 0.47 0.18 121.20 122.23 1k3j s ILE 91 Ca -0.03 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.73 1k3j s ILE 91 Cb -0.05 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 1k3j s ILE 91 CO 0.00 0.54 0.17 -0.76 0.00 0.00 0.00 174.94 174.89 1k3j s LEU 92 N 0.86 4.13 -0.12 2.97 1.02 0.93 0.19 118.68 128.65 1k3j s LEU 92 Ca -0.06 0.13 0.01 0.00 0.02 0.00 0.00 54.13 54.23 1k3j s LEU 92 Cb -0.15 -2.75 0.02 0.00 0.02 0.00 0.00 46.19 43.33 1k3j s LEU 92 CO -0.02 0.14 -0.14 -0.22 0.02 0.00 0.00 176.35 176.13 1k3j s LEU 93 N -2.65 1.67 0.00 1.79 2.96 0.50 0.29 118.68 123.24 1k3j s LEU 93 Ca 0.33 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 53.80 1k3j s LEU 93 Cb -0.12 -1.10 0.00 0.00 0.50 0.00 0.00 46.19 45.46 1k3j s LEU 93 CO 0.26 -0.02 0.00 0.61 -1.32 0.00 0.00 176.35 175.88 1k3j n GLY 94 N 4.47 1.82 5.22 7.98 0.00 -1.15 0.26 105.19 123.80 1k3j n GLY 94 Ca -0.18 -0.42 0.06 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.91 -2.77 1.61 -0.58 -1.22 -3.13 120.64 113.64 1k3j n GLU 95 Ca 0.00 0.60 -0.43 0.00 -0.42 0.00 0.00 57.16 56.91 1k3j n GLU 95 Cb 0.00 -1.11 -0.03 0.00 -0.57 0.00 0.00 31.44 29.73 1k3j n GLU 95 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1k3j s ASP 96 N -4.97 6.56 -1.15 1.62 1.01 -1.26 -4.32 116.67 114.17 1k3j s ASP 96 Ca 0.00 -1.76 -0.03 0.00 0.71 0.00 0.00 52.55 51.47 1k3j s ASP 96 Cb 0.00 -2.47 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 1k3j s ASP 96 CO 0.00 -1.26 0.94 0.61 0.21 0.00 0.00 175.17 175.67 1k3j n GLY 97 N 6.04 -0.70 3.27 0.21 0.00 -1.26 -5.02 105.19 107.73 1k3j n GLY 97 Ca 0.27 0.31 -0.12 0.00 0.00 0.00 0.00 46.02 46.48 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 -3.94 -0.16 0.27 1.61 0.01 -1.18 -5.05 114.94 106.49 1k3j s ASN 98 Ca 0.20 -0.18 0.10 0.00 -0.71 0.00 0.00 52.86 52.26 1k3j s ASN 98 Cb -0.03 0.38 -0.04 0.00 0.41 0.00 0.00 41.25 41.97 1k3j s ASN 98 CO 0.75 -0.66 -0.04 -0.76 -1.51 0.00 0.00 177.10 174.88 1k3j s LEU 99 N -2.17 3.09 0.03 0.60 2.01 -1.26 -2.92 118.68 118.07 1k3j s LEU 99 Ca -0.04 -0.71 0.04 0.00 0.01 0.00 0.00 54.13 53.43 1k3j s LEU 99 Cb -0.00 -1.61 -0.02 0.00 0.01 0.00 0.00 46.19 44.57 1k3j s LEU 99 CO -0.04 0.00 -0.12 -0.76 1.01 0.00 0.00 176.35 176.44 1k3j s LEU 100 N -3.65 2.16 -0.21 1.79 1.02 0.14 -1.07 118.68 118.87 1k3j s LEU 100 Ca 0.31 -0.42 -0.03 0.00 0.02 0.00 0.00 54.13 54.01 1k3j s LEU 100 Cb -0.06 -0.52 -0.01 0.00 0.02 0.00 0.00 46.19 45.62 1k3j s LEU 100 CO 0.19 0.01 -0.06 -0.76 0.02 0.00 0.00 176.35 175.75 1k3j s LEU 101 N -1.06 2.82 -0.24 1.79 1.02 -0.45 -0.05 118.68 122.51 1k3j s LEU 101 Ca 0.00 -0.40 -0.01 0.00 0.02 0.00 0.00 54.13 53.74 1k3j s LEU 101 Cb -0.07 -1.71 0.03 0.00 0.02 0.00 0.00 46.19 44.45 1k3j s LEU 101 CO 0.01 0.00 -0.07 0.21 0.02 0.00 0.00 176.35 176.52 1k3j s ASN 102 N 1.34 4.26 0.26 2.29 2.47 0.48 -2.32 114.94 123.72 1k3j s ASN 102 Ca 0.04 -0.86 -0.29 0.00 0.42 0.00 0.00 52.86 52.17 1k3j s ASN 102 Cb -0.14 -1.65 -0.09 0.00 -1.45 0.00 0.00 41.25 37.91 1k3j s ASN 102 CO -0.03 -0.12 0.98 1.51 -3.72 0.00 0.00 177.10 175.72 1k3j s ASP 103 N 1.32 7.52 -0.25 -4.21 1.47 -1.25 0.18 116.67 121.45 1k3j s ASP 103 Ca 0.00 2.02 0.18 0.00 1.18 0.00 0.00 52.55 55.93 1k3j s ASP 103 Cb -0.16 -2.61 0.43 0.00 -0.34 0.00 0.00 42.92 40.23 1k3j s ASP 103 CO -0.05 0.06 1.27 2.30 0.68 0.00 0.00 175.17 179.43 1k3j n ILE 104 N 1.32 0.58 -3.82 2.11 -5.35 -0.64 0.20 119.36 113.76 1k3j n ILE 104 Ca -0.01 -1.81 -0.29 0.00 -0.27 0.00 0.00 62.75 60.37 1k3j n ILE 104 Cb 0.47 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 -2.43 6.38 0.31 7.28 0.01 0.43 -4.19 113.70 121.50 1k3j s SER 105 Ca 0.19 0.34 0.09 0.00 1.31 0.00 0.00 55.95 57.87 1k3j s SER 105 Cb 0.35 -1.98 0.52 0.00 0.21 0.00 0.00 66.02 65.12 1k3j s SER 105 CO -0.08 0.05 1.73 0.74 0.41 0.00 0.00 173.24 176.09 1k3j h THR 106 N 1.79 1.31 0.00 1.44 2.02 -1.87 -3.16 112.91 114.44 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 0.71 0.44 -1.81 0.59 0.37 0.00 0.00 175.52 175.82 1k3j n ASN 107 N -4.02 0.16 0.00 4.18 3.02 -1.26 -5.09 115.26 112.24 1k3j n ASN 107 Ca -0.02 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1k3j n ASN 107 Cb 0.47 1.71 0.00 0.00 -0.61 0.00 0.00 39.78 41.36 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 3.18 3.36 7.41 0.00 -1.19 -4.85 105.19 114.35 1k3j n GLY 108 Ca -0.03 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.67 2.49 0.09 2.61 2.01 -1.26 -4.33 115.64 114.59 1k3j s THR 109 Ca 0.00 -0.92 0.08 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 -0.17 0.26 -0.69 0.00 0.00 174.62 174.59 1k3j s TRP 110 N -0.44 2.56 -0.21 4.92 0.51 0.36 -2.63 118.94 124.01 1k3j s TRP 110 Ca 0.05 -0.25 0.01 0.00 -2.12 0.00 0.00 56.10 53.79 1k3j s TRP 110 Cb -0.12 -1.39 0.05 0.00 -0.81 0.00 0.00 33.47 31.20 1k3j s TRP 110 CO 0.01 0.35 -0.10 -1.17 -0.51 0.00 0.00 176.95 175.54 1k3j s LEU 111 N -1.94 2.42 -1.67 2.99 2.96 0.75 0.12 118.68 124.31 1k3j s LEU 111 Ca 0.17 -0.97 -0.14 0.00 -0.22 0.00 0.00 54.13 52.97 1k3j s LEU 111 Cb -0.11 -1.25 0.13 0.00 0.50 0.00 0.00 46.19 45.46 1k3j s LEU 111 CO 0.09 -0.16 0.57 0.59 -1.32 0.00 0.00 176.35 176.12 1k3j n ASN 112 N 4.66 -1.88 0.00 3.68 5.03 -1.16 0.75 115.26 126.34 1k3j n ASN 112 Ca -0.14 -1.10 0.00 0.00 0.87 0.00 0.00 54.58 54.21 1k3j n ASN 112 Cb 0.46 -2.42 0.00 0.00 -1.02 0.00 0.00 39.78 36.80 1k3j n ASN 112 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1k3j n GLY 113 N -1.60 2.22 3.46 7.41 0.00 -1.26 -5.01 105.19 110.41 1k3j n GLY 113 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 1k3j n GLY 113 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1k3j s GLN 114 N -0.38 3.59 0.13 1.61 -0.44 0.23 -5.07 119.66 119.32 1k3j s GLN 114 Ca 0.00 -0.54 -0.31 0.00 -2.50 0.00 0.00 55.36 52.02 1k3j s GLN 114 Cb 0.00 -3.44 -0.07 0.00 -1.64 0.00 0.00 33.01 27.85 1k3j s GLN 114 CO 0.00 -0.26 1.28 0.21 0.50 0.00 0.00 175.29 177.02 1k3j s LYS 115 N 1.63 4.40 0.35 1.67 2.20 -1.26 -0.18 119.74 128.55 1k3j s LYS 115 Ca 0.06 1.94 0.07 0.00 -0.36 0.00 0.00 55.97 57.68 1k3j s LYS 115 Cb -0.16 -3.27 -0.01 0.00 -1.51 0.00 0.00 37.83 32.88 1k3j s LYS 115 CO 0.05 -0.28 0.44 0.14 -0.36 0.00 0.00 175.35 175.34 1k3j s VAL 116 N 0.70 3.80 0.03 4.02 -7.23 -1.08 -4.92 120.40 115.72 1k3j s VAL 116 Ca 0.59 -1.09 -0.30 0.00 -1.81 0.00 0.00 61.98 59.37 1k3j s VAL 116 Cb -0.34 -3.30 -0.06 0.00 0.56 0.00 0.00 36.38 33.24 1k3j s VAL 116 CO 0.32 -0.14 1.42 -1.61 -0.31 0.00 0.00 175.10 174.79 1k3j s GLU 117 N -4.15 4.28 1.00 4.82 8.01 -1.26 -4.68 118.70 126.72 1k3j s GLU 117 Ca 0.45 2.02 -0.13 0.00 0.01 0.00 0.00 54.97 57.32 1k3j s GLU 117 Cb -0.09 -3.51 0.09 0.00 -4.31 0.00 0.00 34.13 26.31 1k3j s GLU 117 CO 0.30 -0.56 0.49 1.17 0.01 0.00 0.00 175.26 176.67 1k3j n LYS 118 N 5.11 -0.73 -2.80 1.61 4.81 -1.26 -2.33 118.16 122.57 1k3j n LYS 118 Ca 0.13 -0.17 -0.15 0.00 -0.87 0.00 0.00 58.31 57.24 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 -2.13 -1.01 -4.57 3.14 3.02 0.52 -4.86 115.26 109.38 1k3j n ASN 119 Ca 0.06 -0.27 -0.32 0.00 -0.03 0.00 0.00 54.58 54.03 1k3j n ASN 119 Cb 0.55 -0.92 -0.11 0.00 -0.61 0.00 0.00 39.78 38.69 1k3j n ASN 119 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1k3j s SER 120 N -2.01 4.43 -0.04 6.41 0.15 -0.98 -4.91 113.70 116.74 1k3j s SER 120 Ca 0.30 -0.23 -0.22 0.00 0.70 0.00 0.00 55.95 56.50 1k3j s SER 120 Cb -0.17 -0.96 -0.04 0.00 -1.71 0.00 0.00 66.02 63.14 1k3j s SER 120 CO 0.37 0.26 0.64 0.20 1.20 0.00 0.00 173.24 175.91 1k3j s ASN 121 N -1.53 6.95 0.08 5.45 -0.87 -1.26 -3.87 114.94 119.90 1k3j s ASN 121 Ca 0.17 1.14 0.06 0.00 -1.57 0.00 0.00 52.86 52.66 1k3j s ASN 121 Cb -0.11 -2.38 -0.03 0.00 -0.02 0.00 0.00 41.25 38.71 1k3j s ASN 121 CO 0.08 -0.01 -0.16 -1.10 -2.57 0.00 0.00 177.10 173.34 1k3j s GLN 122 N 0.37 0.90 0.21 -0.60 -1.52 -0.98 -4.92 119.66 113.11 1k3j s GLN 122 Ca 0.34 -1.01 -0.30 0.00 -1.95 0.00 0.00 55.36 52.43 1k3j s GLN 122 Cb -0.18 -0.96 -0.08 0.00 -0.22 0.00 0.00 33.01 31.57 1k3j s GLN 122 CO 0.17 0.21 1.18 -1.17 -0.25 0.00 0.00 175.29 175.44 1k3j s LEU 123 N -1.81 4.47 0.69 2.90 2.96 -1.26 -1.34 118.68 125.29 1k3j s LEU 123 Ca 0.00 2.26 -0.16 0.00 -0.22 0.00 0.00 54.13 56.01 1k3j s LEU 123 Cb -0.10 -3.61 0.02 0.00 0.50 0.00 0.00 46.19 43.00 1k3j s LEU 123 CO 0.03 -0.34 1.22 -0.22 -1.32 0.00 0.00 176.35 175.73 1k3j s LEU 124 N -0.52 3.42 0.13 -0.68 2.96 -0.23 -4.81 118.68 118.95 1k3j s LEU 124 Ca 0.51 2.41 0.08 0.00 -0.22 0.00 0.00 54.13 56.92 1k3j s LEU 124 Cb -0.33 -4.60 -0.04 0.00 0.50 0.00 0.00 46.19 41.73 1k3j s LEU 124 CO 0.38 -2.11 -0.19 -0.44 -1.32 0.00 0.00 176.35 172.67 1k3j s SER 125 N -1.84 2.57 -0.07 3.68 0.01 -1.26 -4.95 113.70 111.84 1k3j s SER 125 Ca 0.76 -0.77 -0.30 0.00 1.31 0.00 0.00 55.95 56.96 1k3j s SER 125 Cb -0.31 -0.14 -0.04 0.00 0.21 0.00 0.00 66.02 65.74 1k3j s SER 125 CO 0.42 0.01 1.37 -1.10 0.41 0.00 0.00 173.24 174.35 1k3j s GLN 126 N -2.35 4.26 -1.75 12.44 -1.52 -1.26 -2.69 119.66 126.79 1k3j s GLN 126 Ca 0.11 1.86 0.00 0.00 -1.95 0.00 0.00 55.36 55.38 1k3j s GLN 126 Cb -0.08 -3.71 0.00 0.00 -0.22 0.00 0.00 33.01 29.00 1k3j s GLN 126 CO 0.05 -0.65 0.00 0.41 -0.25 0.00 0.00 175.29 174.86 1k3j n GLY 127 N 3.68 0.83 3.22 3.09 0.00 -1.15 -4.92 105.19 109.94 1k3j n GLY 127 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.66 -3.79 1.61 2.03 -1.09 -4.43 116.55 106.83 1k3j n ASP 128 Ca -0.19 -0.02 -0.13 0.00 0.52 0.00 0.00 54.79 54.97 1k3j n ASP 128 Cb 0.62 -0.89 -0.13 0.00 -0.72 0.00 0.00 41.12 40.00 1k3j n ASP 128 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1k3j s GLU 129 N -3.11 0.15 -0.14 -0.67 2.02 -1.26 0.39 118.70 116.09 1k3j s GLU 129 Ca 0.51 0.30 0.00 0.00 0.02 0.00 0.00 54.97 55.80 1k3j s GLU 129 Cb -0.09 -0.02 -0.01 0.00 0.10 0.00 0.00 34.13 34.11 1k3j s GLU 129 CO 0.67 -0.08 -0.15 0.42 0.02 0.00 0.00 175.26 176.14 1k3j s ILE 130 N 0.56 2.77 -0.10 -1.63 1.01 0.15 -2.96 121.20 121.00 1k3j s ILE 130 Ca -0.04 -0.74 -0.04 0.00 0.00 0.00 0.00 60.65 59.83 1k3j s ILE 130 Cb -0.05 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 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 0.63 4.71 0.05 2.92 2.01 0.34 0.53 115.64 126.82 1k3j s THR 131 Ca -0.08 -0.09 -0.01 0.00 0.31 0.00 0.00 61.69 61.81 1k3j s THR 131 Cb -0.16 -3.02 -0.03 0.00 0.01 0.00 0.00 72.50 69.30 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 -0.82 0.20 0.00 3.82 -7.23 0.27 0.14 120.40 116.76 1k3j s VAL 132 Ca 0.13 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 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 0.03 -0.90 0.00 0.61 -0.31 0.00 0.00 175.10 174.52 1k3j n GLY 133 N 0.34 0.86 3.76 2.32 0.00 -1.26 0.12 105.19 111.33 1k3j n GLY 133 Ca -0.16 -0.62 -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 -2.00 3.18 0.00 1.61 1.01 -1.26 -3.39 120.40 119.55 1k3j s VAL 134 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.15 1k3j s VAL 134 Cb 0.00 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1k3j s VAL 134 CO 0.00 0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1k3j n GLY 135 N 0.99 3.44 3.06 4.51 0.00 -1.26 -4.97 105.19 110.95 1k3j n GLY 135 Ca -0.00 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 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 1.38 0.45 1.61 1.01 -1.26 -5.02 120.40 118.57 1k3j s VAL 136 Ca 0.00 -0.60 0.23 0.00 0.00 0.00 0.00 61.98 61.61 1k3j s VAL 136 Cb 0.00 -1.25 0.42 0.00 0.00 0.00 0.00 36.38 35.55 1k3j s VAL 136 CO 0.00 0.41 1.83 1.05 0.00 0.00 0.00 175.10 178.39 1k3j h GLU 137 N 7.11 0.27 -0.34 2.72 -0.00 -1.99 0.36 114.58 122.72 1k3j h GLU 137 Ca -0.29 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.05 1k3j h GLU 137 Cb 1.19 -0.06 0.00 0.00 -0.00 0.00 0.00 28.75 29.88 1k3j h GLU 137 CO 0.47 0.18 0.00 0.43 -0.00 0.00 0.00 179.01 180.09 1k3j n SER 138 N -4.46 2.47 -0.54 3.06 7.64 -1.26 -4.20 113.62 116.32 1k3j n SER 138 Ca 0.22 -1.89 0.07 0.00 1.01 0.00 0.00 58.87 58.28 1k3j n SER 138 Cb 0.86 -0.22 0.16 0.00 -1.01 0.00 0.00 64.21 64.00 1k3j n SER 138 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1k3j n ASP 139 N 0.84 1.73 -4.67 6.43 9.92 0.13 -5.02 116.55 125.91 1k3j n ASP 139 Ca 0.17 -3.40 -0.35 0.00 -0.53 0.00 0.00 54.79 50.68 1k3j n ASP 139 Cb 0.43 -0.46 -0.10 0.00 -0.64 0.00 0.00 41.12 40.35 1k3j n ASP 139 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1k3j s ILE 140 N -2.65 4.28 -0.05 0.53 1.01 -1.21 -4.31 121.20 118.80 1k3j s ILE 140 Ca 0.34 -0.25 0.04 0.00 0.00 0.00 0.00 60.65 60.78 1k3j s ILE 140 Cb 0.33 -2.81 -0.00 0.00 0.01 0.00 0.00 42.46 39.99 1k3j s ILE 140 CO -0.05 0.59 -0.19 -0.22 0.00 0.00 0.00 174.94 175.08 1k3j s LEU 141 N -0.75 1.93 0.10 2.97 0.20 0.32 -4.95 118.68 118.49 1k3j s LEU 141 Ca 0.12 -0.39 0.05 0.00 0.69 0.00 0.00 54.13 54.59 1k3j s LEU 141 Cb -0.12 -1.07 -0.04 0.00 -0.43 0.00 0.00 46.19 44.54 1k3j s LEU 141 CO 0.02 0.16 0.01 -0.55 -0.29 0.00 0.00 176.35 175.70 1k3j s SER 142 N 0.08 5.06 0.07 3.68 0.15 -1.26 0.93 113.70 122.41 1k3j s SER 142 Ca -0.06 -0.18 0.02 0.00 0.70 0.00 0.00 55.95 56.43 1k3j s SER 142 Cb -0.13 -1.21 -0.03 0.00 -1.71 0.00 0.00 66.02 62.94 1k3j s SER 142 CO 0.03 0.17 -0.07 -0.76 1.20 0.00 0.00 173.24 173.81 1k3j s LEU 143 N -2.36 2.39 -0.02 3.45 1.43 0.19 -3.55 118.68 120.20 1k3j s LEU 143 Ca 0.26 -0.79 0.04 0.00 -1.03 0.00 0.00 54.13 52.62 1k3j s LEU 143 Cb -0.12 -0.13 -0.01 0.00 0.03 0.00 0.00 46.19 45.97 1k3j s LEU 143 CO 0.19 -0.34 -0.16 -0.69 0.23 0.00 0.00 176.35 175.58 1k3j s VAL 144 N -2.53 1.27 -0.18 -1.59 1.01 0.30 0.31 120.40 118.99 1k3j s VAL 144 Ca 0.01 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 1k3j s VAL 144 Cb -0.02 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 1k3j s VAL 144 CO -0.02 0.36 0.02 -0.63 0.00 0.00 0.00 175.10 174.83 1k3j s ILE 145 N -0.19 4.32 -0.19 2.22 1.01 0.16 0.10 121.20 128.63 1k3j s ILE 145 Ca 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 60.65 60.45 1k3j s ILE 145 Cb -0.08 -2.93 -0.01 0.00 0.01 0.00 0.00 42.46 39.45 1k3j s ILE 145 CO 0.00 0.47 -0.08 -0.36 0.00 0.00 0.00 174.94 174.97 1k3j s PHE 146 N 0.47 2.91 -0.05 3.97 0.40 0.36 -2.92 117.98 123.12 1k3j s PHE 146 Ca -0.00 -0.90 -0.18 0.00 -0.60 0.00 0.00 56.93 55.25 1k3j s PHE 146 Cb -0.13 -2.02 -0.05 0.00 0.51 0.00 0.00 43.02 41.33 1k3j s PHE 146 CO 0.02 -0.47 0.49 0.42 0.70 0.00 0.00 175.22 176.38 1k3j s ILE 147 N 1.13 5.06 -0.41 0.64 1.01 -1.26 0.15 121.20 127.50 1k3j s ILE 147 Ca 0.01 1.01 -0.27 0.00 0.00 0.00 0.00 60.65 61.40 1k3j s ILE 147 Cb -0.14 -3.82 0.02 0.00 0.01 0.00 0.00 42.46 38.52 1k3j s ILE 147 CO -0.02 0.42 1.00 0.21 0.00 0.00 0.00 174.94 176.55 1k3j s ASN 148 N -0.08 6.65 0.47 3.58 2.47 -1.22 -4.90 114.94 121.91 1k3j s ASN 148 Ca 0.27 0.49 0.14 0.00 0.42 0.00 0.00 52.86 54.18 1k3j s ASN 148 Cb -0.16 -2.49 1.12 0.00 -1.45 0.00 0.00 41.25 38.26 1k3j s ASN 148 CO 0.13 -1.01 2.07 0.44 -3.72 0.00 0.00 177.10 175.01 1k3j h ASP 149 N 8.78 0.21 -0.52 -4.21 3.32 -1.95 -1.99 116.42 120.06 1k3j h ASP 149 Ca -0.23 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.84 1k3j h ASP 149 Cb 1.07 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.54 1k3j h ASP 149 CO 1.04 0.14 0.32 0.11 -1.72 0.00 0.00 179.24 179.13 1k3j h LYS 150 N 0.24 0.61 -0.61 3.56 1.57 -1.94 -0.82 116.57 119.17 1k3j h LYS 150 Ca 0.12 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1k3j h LYS 150 Cb 0.20 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 1k3j h LYS 150 CO -0.02 0.41 0.38 0.35 -0.57 0.00 0.00 179.45 179.99 1k3j h PHE 151 N 0.63 0.71 -0.35 -1.35 3.57 -1.60 -2.08 116.94 116.47 1k3j h PHE 151 Ca 0.21 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.66 1k3j h PHE 151 Cb 0.00 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.49 1k3j h PHE 151 CO -0.06 0.41 -0.07 0.87 -2.23 0.00 0.00 178.31 177.23 1k3j h LYS 152 N 0.75 0.58 -0.33 1.11 1.57 -1.34 -2.91 116.57 116.00 1k3j h LYS 152 Ca 0.24 -0.16 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1k3j h LYS 152 Cb 0.01 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1k3j h LYS 152 CO -0.10 0.66 0.18 0.37 -0.57 0.00 0.00 179.45 179.99 1k3j h GLN 153 N 0.54 0.37 -0.38 3.15 5.75 -0.46 -1.05 115.11 123.02 1k3j h GLN 153 Ca 0.10 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.58 1k3j h GLN 153 Cb 0.46 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.91 1k3j h GLN 153 CO 0.02 0.24 0.22 0.00 -2.65 0.00 0.00 178.83 176.67 1k3j h LEU 155 N 0.50 0.76 -1.48 0.00 7.12 -1.31 0.58 115.31 121.47 1k3j h LEU 155 Ca 0.14 -0.02 0.01 0.00 0.13 0.00 0.00 57.88 58.13 1k3j h LEU 155 Cb 0.02 -0.19 -0.03 0.00 -0.53 0.00 0.00 40.66 39.94 1k3j h LEU 155 CO -0.02 0.55 0.36 -0.33 -0.13 0.00 0.00 178.44 178.87 1k3j h GLU 156 N 0.89 0.70 0.07 1.25 3.07 -0.72 -2.72 114.58 117.12 1k3j h GLU 156 Ca 0.24 -0.04 -0.32 0.00 -0.50 0.00 0.00 59.36 58.73 1k3j h GLU 156 Cb -0.09 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 27.63 1k3j h GLU 156 CO -0.05 0.46 -1.81 1.96 -1.40 0.00 0.00 179.01 178.17 1k3j h GLN 157 N 0.72 0.14 -6.16 2.33 4.20 -1.08 -3.50 115.11 111.76 1k3j h GLN 157 Ca 0.20 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1k3j h GLN 157 Cb -0.08 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 1k3j h GLN 157 CO -0.04 0.87 -0.78 0.27 -0.67 0.00 0.00 178.83 178.47 1k3j n ASN 158 N -3.28 -6.74 -4.41 1.46 0.23 0.19 -4.98 115.26 97.74 1k3j n ASN 158 Ca -0.23 0.66 -0.33 0.00 -0.53 0.00 0.00 54.58 54.15 1k3j n ASN 158 Cb 1.05 -2.04 -0.14 0.00 -2.08 0.00 0.00 39.78 36.57 1k3j n ASN 158 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 1k3j s LYS 159 N -0.81 2.75 0.25 -3.83 0.00 -1.26 -5.09 119.74 111.75 1k3j s LYS 159 Ca -0.01 -0.73 -0.30 0.00 0.00 0.00 0.00 55.97 54.93 1k3j s LYS 159 Cb 0.00 -2.41 -0.10 0.00 0.00 0.00 0.00 37.83 35.32 1k3j s LYS 159 CO 0.10 0.47 1.45 0.14 0.00 0.00 0.00 175.35 177.51 1k3j s VAL 160 N -0.33 2.62 0.28 1.79 -7.23 -1.26 -5.02 120.40 111.25 1k3j s VAL 160 Ca 0.03 0.52 0.02 0.00 -1.81 0.00 0.00 61.98 60.73 1k3j s VAL 160 Cb -0.13 -3.33 -0.04 0.00 0.56 0.00 0.00 36.38 33.44 1k3j s VAL 160 CO 0.02 0.08 0.13 -0.62 -0.31 0.00 0.00 175.10 174.41 1k3j s ASP 161 N 0.39 1.33 -0.29 4.85 2.15 -1.26 -5.15 116.67 118.69 1k3j s ASP 161 Ca 0.60 -1.48 0.01 0.00 0.43 0.00 0.00 52.55 52.11 1k3j s ASP 161 Cb -0.42 0.30 0.19 0.00 -0.30 0.00 0.00 42.92 42.69 1k3j s ASP 161 CO 0.43 -0.82 0.68 -0.60 -0.17 0.00 0.00 175.17 174.69 1k3j s ARG 162 N -3.92 0.48 -0.15 4.34 3.52 -1.26 -5.09 118.95 116.87 1k3j s ARG 162 Ca 0.37 0.59 -0.09 0.00 -0.13 0.00 0.00 55.73 56.46 1k3j s ARG 162 Cb 0.06 0.29 -0.05 0.00 -1.56 0.00 0.00 34.95 33.70 1k3j s ARG 162 CO 0.16 -0.79 0.16 0.42 -0.81 0.00 0.00 175.30 174.43 1k3j s ILE 163 N 2.86 5.43 0.00 4.11 1.09 -1.26 -5.25 121.20 128.18 1k3j s ILE 163 Ca 0.14 0.25 0.00 0.00 -1.10 0.00 0.00 60.65 59.95 1k3j s ILE 163 Cb -0.10 -3.46 0.00 0.00 -1.06 0.00 0.00 42.46 37.84 1k3j s ILE 163 CO -0.23 0.53 0.00 -1.14 -0.10 0.00 0.00 174.94 173.99