#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 -0.01 0.00 -1.04 -1.26 -4.16 114.28 107.81 1k3j n THR 15 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.05 1k3j n THR 15 Cb 0.00 0.00 0.42 0.00 -1.82 0.00 0.00 70.33 68.93 1k3j n THR 15 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1k3j h GLN 16 N 0.00 0.56 -0.44 -2.82 1.08 -2.07 -2.02 115.11 109.40 1k3j h GLN 16 Ca 0.00 -0.03 -0.13 0.00 -1.45 0.00 0.00 58.65 57.04 1k3j h GLN 16 Cb 0.00 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.29 1k3j h GLN 16 CO 0.00 0.37 -0.24 0.00 -0.95 0.00 0.00 178.83 178.01 1k3j h ARG 17 N 0.58 0.92 -0.88 1.46 2.47 -2.02 -3.03 114.38 113.89 1k3j h ARG 17 Ca 0.16 -0.40 0.07 0.00 -1.26 0.00 0.00 59.98 58.55 1k3j h ARG 17 Cb -0.05 -0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 28.18 1k3j h ARG 17 CO -0.04 1.06 0.55 0.74 0.56 0.00 0.00 179.97 182.84 1k3j h PHE 18 N 0.79 1.01 -0.48 3.04 0.04 -1.70 -0.54 116.94 119.11 1k3j h PHE 18 Ca 0.10 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.94 1k3j h PHE 18 Cb 0.80 -0.33 -0.03 0.00 2.20 0.00 0.00 35.95 38.60 1k3j h PHE 18 CO 0.05 0.51 0.32 1.25 -0.60 0.00 0.00 178.31 179.84 1k3j h LEU 19 N 0.99 0.41 -0.38 1.54 5.85 -1.39 -1.31 115.31 121.02 1k3j h LEU 19 Ca 0.39 -0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.92 1k3j h LEU 19 Cb 0.19 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 1k3j h LEU 19 CO -0.18 0.28 -0.71 0.40 -0.34 0.00 0.00 178.44 177.89 1k3j h ILE 20 N 0.48 1.36 -0.52 4.05 2.04 -1.12 -3.11 117.51 120.68 1k3j h ILE 20 Ca 0.20 -2.07 0.06 0.00 1.00 0.00 0.00 64.86 64.05 1k3j h ILE 20 Cb 0.20 2.05 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 1k3j h ILE 20 CO -0.05 0.63 0.35 -0.08 0.00 0.00 0.00 178.15 179.00 1k3j h GLU 21 N 0.33 0.44 -0.08 2.37 4.57 -0.55 -0.53 114.58 121.14 1k3j h GLU 21 Ca -0.03 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.15 1k3j h GLU 21 Cb 1.29 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1k3j h GLU 21 CO 0.13 0.29 0.08 0.87 -1.18 0.00 0.00 179.01 179.20 1k3j h LYS 22 N 0.45 0.00 -0.29 1.92 1.79 -1.44 -1.93 116.57 117.08 1k3j h LYS 22 Ca 0.23 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.74 1k3j h LYS 22 Cb 0.32 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.94 1k3j h LYS 22 CO -0.06 0.00 0.06 0.74 -1.08 0.00 0.00 179.45 179.11 1k3j h PHE 23 N 0.00 0.11 0.00 -1.35 -1.00 -1.23 -2.11 116.94 111.35 1k3j h PHE 23 Ca 0.04 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.80 1k3j h PHE 23 Cb 0.20 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.75 1k3j h PHE 23 CO 0.00 0.03 -0.28 0.77 -1.61 0.00 0.00 178.31 177.22 1k3j h SER 24 N 0.18 0.00 -3.98 2.17 0.02 -1.58 -3.49 113.55 106.87 1k3j h SER 24 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1k3j h SER 24 Cb 0.13 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.62 1k3j h SER 24 CO -0.17 0.18 -0.75 1.67 -1.14 0.00 0.00 176.83 176.62 1k3j n GLN 25 N -3.10 -2.19 -1.87 3.45 -0.06 -0.77 -4.91 117.38 107.93 1k3j n GLN 25 Ca 0.03 1.91 -0.42 0.00 -2.00 0.00 0.00 57.00 56.52 1k3j n GLN 25 Cb 0.61 -3.02 -0.03 0.00 -4.06 0.00 0.00 30.24 23.74 1k3j n GLN 25 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 1k3j s GLU 26 N -0.83 4.19 -0.42 3.69 2.02 -1.26 -4.95 118.70 121.14 1k3j s GLU 26 Ca -0.12 2.44 -0.26 0.00 0.02 0.00 0.00 54.97 57.05 1k3j s GLU 26 Cb 0.01 -3.12 0.02 0.00 0.10 0.00 0.00 34.13 31.14 1k3j s GLU 26 CO 0.39 -0.64 0.94 -1.14 0.02 0.00 0.00 175.26 174.83 1k3j s GLN 27 N 0.96 3.69 0.17 1.61 0.74 -1.26 -5.02 119.66 120.56 1k3j s GLN 27 Ca 0.70 0.38 -0.28 0.00 0.05 0.00 0.00 55.36 56.22 1k3j s GLN 27 Cb -0.46 -3.87 -0.08 0.00 1.10 0.00 0.00 33.01 29.71 1k3j s GLN 27 CO 0.33 -1.10 0.87 0.42 -0.55 0.00 0.00 175.29 175.26 1k3j s ILE 28 N 3.65 4.32 -0.33 -2.34 -1.09 -1.26 -4.98 121.20 119.18 1k3j s ILE 28 Ca 0.38 1.90 0.16 0.00 -2.23 0.00 0.00 60.65 60.87 1k3j s ILE 28 Cb -0.11 -4.24 0.45 0.00 -1.58 0.00 0.00 42.46 36.98 1k3j s ILE 28 CO 0.23 0.46 1.11 0.61 -1.23 0.00 0.00 174.94 176.13 1k3j n GLY 29 N 1.76 1.55 0.28 6.18 0.00 -1.26 -4.85 105.19 108.86 1k3j n GLY 29 Ca -0.03 -0.90 -0.04 0.00 0.00 0.00 0.00 46.02 45.06 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 2.56 0.91 0.00 1.61 4.81 -2.02 -3.40 114.58 119.05 1k3j h GLU 30 Ca -0.17 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.98 1k3j h GLU 30 Cb 1.23 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 1k3j h GLU 30 CO 0.27 0.60 -0.04 0.09 -0.73 0.00 0.00 179.01 179.20 1k3j n ASN 31 N -4.62 -0.18 -4.74 1.04 3.02 -1.26 -5.09 115.26 103.43 1k3j n ASN 31 Ca 0.08 -0.83 -0.41 0.00 -0.03 0.00 0.00 54.58 53.39 1k3j n ASN 31 Cb 0.06 0.07 -0.04 0.00 -0.61 0.00 0.00 39.78 39.26 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 0.01 3.94 -0.15 2.41 -1.09 -1.26 -1.02 121.20 124.04 1k3j s ILE 32 Ca 0.01 1.73 -0.11 0.00 -2.23 0.00 0.00 60.65 60.05 1k3j s ILE 32 Cb 0.04 -4.11 -0.04 0.00 -1.58 0.00 0.00 42.46 36.77 1k3j s ILE 32 CO -0.01 0.32 -0.17 0.52 -1.23 0.00 0.00 174.94 174.37 1k3j n VAL 33 N 2.16 1.43 -3.90 2.92 0.31 0.35 -4.56 118.33 117.05 1k3j n VAL 33 Ca 0.01 0.20 -0.09 0.00 -0.01 0.00 0.00 64.34 64.45 1k3j n VAL 33 Cb 0.47 -2.37 -0.06 0.00 -0.91 0.00 0.00 33.84 30.97 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 -3.94 1.37 -0.23 0.00 1.81 0.39 -0.04 118.95 118.32 1k3j s ARG 35 Ca 0.15 -0.54 -0.07 0.00 -1.72 0.00 0.00 55.73 53.56 1k3j s ARG 35 Cb 0.02 -1.27 -0.03 0.00 -0.45 0.00 0.00 34.95 33.22 1k3j s ARG 35 CO -0.00 0.28 0.05 0.14 -0.68 0.00 0.00 175.30 175.09 1k3j s VAL 36 N -0.18 4.28 -0.13 3.52 -7.23 -0.88 0.13 120.40 119.91 1k3j s VAL 36 Ca 0.02 -0.19 0.01 0.00 -1.81 0.00 0.00 61.98 60.01 1k3j s VAL 36 Cb -0.08 -2.97 0.02 0.00 0.56 0.00 0.00 36.38 33.91 1k3j s VAL 36 CO 0.00 0.38 -0.14 -0.63 -0.31 0.00 0.00 175.10 174.40 1k3j s ILE 37 N 1.26 1.52 -0.55 -0.62 1.01 0.15 -2.61 121.20 121.36 1k3j s ILE 37 Ca 0.04 -0.63 -0.28 0.00 0.00 0.00 0.00 60.65 59.78 1k3j s ILE 37 Cb -0.15 -1.41 0.03 0.00 0.01 0.00 0.00 42.46 40.94 1k3j s ILE 37 CO 0.03 0.45 1.18 0.00 0.00 0.00 0.00 174.94 176.60 1k3j h THR 39 N 6.19 1.18 0.00 0.00 1.03 -1.88 -2.75 112.91 116.69 1k3j h THR 39 Ca -0.24 -1.68 0.00 0.00 -0.01 0.00 0.00 66.41 64.48 1k3j h THR 39 Cb 1.06 1.94 0.00 0.00 -1.07 0.00 0.00 68.15 70.08 1k3j h THR 39 CO 1.17 0.46 0.00 0.35 -0.01 0.00 0.00 175.52 177.48 1k3j n THR 40 N -3.77 0.00 -2.70 0.00 -2.24 -1.25 -4.96 114.28 99.37 1k3j n THR 40 Ca -0.01 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.70 1k3j n THR 40 Cb 0.52 -0.50 0.01 0.00 -2.10 0.00 0.00 70.33 68.25 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 -1.42 0.34 3.38 0.00 -1.04 -5.00 105.19 102.55 1k3j n GLY 41 Ca 0.20 1.08 0.00 0.00 0.00 0.00 0.00 46.02 47.31 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 -0.27 0.00 -4.96 1.61 6.02 -1.26 -5.12 117.38 113.40 1k3j n GLN 42 Ca 0.10 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.79 1k3j n GLN 42 Cb 0.39 -0.27 -0.15 0.00 1.02 0.00 0.00 30.24 31.23 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 -1.17 2.22 0.45 5.09 1.09 -1.26 -5.01 121.20 122.61 1k3j s ILE 43 Ca 0.00 -1.30 -0.23 0.00 -1.10 0.00 0.00 60.65 58.02 1k3j s ILE 43 Cb 0.00 -1.85 -0.08 0.00 -1.06 0.00 0.00 42.46 39.47 1k3j s ILE 43 CO 0.00 0.41 1.16 -2.16 -0.10 0.00 0.00 174.94 174.25 1k3j s PRO 44 N -1.13 3.82 0.21 2.79 0.04 -1.26 -4.25 135.00 135.23 1k3j s PRO 44 Ca 0.12 1.76 -0.31 0.00 0.04 0.00 0.00 61.00 62.60 1k3j s PRO 44 Cb -0.10 -2.45 -0.11 0.00 0.04 0.00 0.00 34.50 31.89 1k3j s PRO 44 CO 0.02 -0.49 1.59 0.42 0.04 0.00 0.00 177.00 178.58 1k3j s ILE 45 N -1.54 2.39 0.06 0.56 1.01 -1.26 -4.87 121.20 117.54 1k3j s ILE 45 Ca 0.62 0.29 0.08 0.00 0.00 0.00 0.00 60.65 61.65 1k3j s ILE 45 Cb -0.28 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 1k3j s ILE 45 CO 0.34 0.03 -0.20 -0.13 0.00 0.00 0.00 174.94 174.98 1k3j s ARG 46 N 0.64 1.90 -0.26 2.79 3.00 -1.07 -5.01 118.95 120.94 1k3j s ARG 46 Ca 0.68 -1.08 -0.08 0.00 0.00 0.00 0.00 55.73 55.25 1k3j s ARG 46 Cb -0.46 -2.11 -0.03 0.00 0.00 0.00 0.00 34.95 32.35 1k3j s ARG 46 CO 0.36 0.52 0.10 0.16 0.00 0.00 0.00 175.30 176.44 1k3j s ASP 47 N -1.59 5.36 -0.18 0.23 -4.77 -1.26 -2.06 116.67 112.39 1k3j s ASP 47 Ca 0.15 -0.19 -0.18 0.00 -3.30 0.00 0.00 52.55 49.03 1k3j s ASP 47 Cb -0.10 -1.97 -0.03 0.00 -1.09 0.00 0.00 42.92 39.72 1k3j s ASP 47 CO 0.06 -0.05 0.49 -0.76 0.70 0.00 0.00 175.17 175.61 1k3j s LEU 48 N 1.65 4.17 0.08 2.11 1.02 0.95 -5.00 118.68 123.66 1k3j s LEU 48 Ca 0.06 0.68 0.02 0.00 0.02 0.00 0.00 54.13 54.92 1k3j s LEU 48 Cb -0.15 -2.68 -0.04 0.00 0.02 0.00 0.00 46.19 43.34 1k3j s LEU 48 CO 0.05 -0.13 -0.07 -0.94 0.02 0.00 0.00 176.35 175.28 1k3j s SER 49 N 1.03 1.06 -0.12 2.29 1.04 -1.26 0.13 113.70 117.88 1k3j s SER 49 Ca 0.24 -0.87 -0.13 0.00 0.48 0.00 0.00 55.95 55.67 1k3j s SER 49 Cb -0.15 0.08 0.03 0.00 0.10 0.00 0.00 66.02 66.08 1k3j s SER 49 CO 0.10 -0.39 0.36 0.00 0.98 0.00 0.00 173.24 174.29 1k3j s ALA 50 N -2.95 -0.90 -0.08 5.32 0.00 -0.19 -4.77 121.76 118.20 1k3j s ALA 50 Ca 0.05 0.92 -0.30 0.00 0.00 0.00 0.00 51.96 52.63 1k3j s ALA 50 Cb 0.01 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 1k3j s ALA 50 CO -0.03 -0.19 1.21 -0.51 0.00 0.00 0.00 175.76 176.24 1k3j s ASP 51 N -0.09 7.03 0.17 0.00 1.11 -1.26 -4.69 116.67 118.94 1k3j s ASP 51 Ca -0.03 1.79 -0.11 0.00 0.18 0.00 0.00 52.55 54.38 1k3j s ASP 51 Cb -0.03 -2.55 0.07 0.00 1.07 0.00 0.00 42.92 41.47 1k3j s ASP 51 CO 0.01 -0.62 1.68 0.40 1.18 0.00 0.00 175.17 177.83 1k3j h ILE 52 N 5.11 1.25 -0.80 0.77 2.04 -1.98 -2.25 117.51 121.65 1k3j h ILE 52 Ca -0.32 -0.89 0.02 0.00 1.00 0.00 0.00 64.86 64.67 1k3j h ILE 52 Cb 1.15 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 1k3j h ILE 52 CO 0.90 0.33 0.52 0.28 0.00 0.00 0.00 178.15 180.18 1k3j h SER 53 N 0.85 0.88 -0.18 1.72 0.02 -1.99 0.64 113.55 115.50 1k3j h SER 53 Ca 0.19 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.00 1k3j h SER 53 Cb 0.34 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1k3j h SER 53 CO 0.00 0.62 -0.31 1.56 -1.14 0.00 0.00 176.83 177.56 1k3j h GLN 54 N 1.04 0.67 -0.38 3.45 4.20 -1.95 -1.90 115.11 120.25 1k3j h GLN 54 Ca 0.31 -0.30 -0.14 0.00 0.06 0.00 0.00 58.65 58.57 1k3j h GLN 54 Cb -0.06 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1k3j h GLN 54 CO -0.09 0.90 -0.31 0.28 -0.67 0.00 0.00 178.83 178.94 1k3j h VAL 55 N 0.57 1.28 -0.02 -0.54 2.07 -0.77 0.31 116.25 119.15 1k3j h VAL 55 Ca 0.07 -1.47 -0.11 0.00 0.82 0.00 0.00 66.70 66.01 1k3j h VAL 55 Cb 0.82 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 1k3j h VAL 55 CO 0.07 0.49 -0.52 0.25 0.02 0.00 0.00 177.57 177.87 1k3j h LEU 56 N 0.70 0.05 0.15 2.57 5.85 -0.76 -3.22 115.31 120.65 1k3j h LEU 56 Ca 0.08 -0.03 -0.28 0.00 0.84 0.00 0.00 57.88 58.49 1k3j h LEU 56 Cb 0.86 -0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.88 1k3j h LEU 56 CO 0.08 0.57 -1.37 0.50 -0.34 0.00 0.00 178.44 177.87 1k3j h LYS 57 N 0.04 0.33 -6.59 1.25 1.63 -1.16 -3.46 116.57 108.61 1k3j h LYS 57 Ca -0.00 -0.56 -0.52 0.00 -0.85 0.00 0.00 60.65 58.71 1k3j h LYS 57 Cb 0.94 0.21 0.04 0.00 -0.60 0.00 0.00 32.23 32.82 1k3j h LYS 57 CO 0.07 1.27 0.95 -1.21 -3.45 0.00 0.00 179.45 177.07 1k3j s GLU 58 N -2.50 4.18 -0.34 1.90 2.02 0.11 -4.90 118.70 119.17 1k3j s GLU 58 Ca -0.16 2.43 0.07 0.00 0.02 0.00 0.00 54.97 57.33 1k3j s GLU 58 Cb 0.04 -3.23 0.53 0.00 0.10 0.00 0.00 34.13 31.57 1k3j s GLU 58 CO 0.82 -0.68 1.57 1.63 0.02 0.00 0.00 175.26 178.62 1k3j n LYS 59 N 4.34 2.03 -2.16 1.61 4.76 -1.26 -4.87 118.16 122.61 1k3j n LYS 59 Ca 0.15 -3.22 -0.20 0.00 -2.87 0.00 0.00 58.31 52.17 1k3j n LYS 59 Cb 0.38 -1.93 0.11 0.00 -1.84 0.00 0.00 35.03 31.75 1k3j n LYS 59 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1k3j n ARG 60 N -1.11 -0.14 0.08 1.97 1.74 -1.26 -5.02 116.66 112.93 1k3j n ARG 60 Ca 0.40 -2.20 -0.11 0.00 -0.77 0.00 0.00 57.85 55.17 1k3j n ARG 60 Cb 1.14 -0.64 -0.09 0.00 -1.02 0.00 0.00 32.46 31.86 1k3j n ARG 60 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1k3j h SER 61 N -0.63 0.24 -4.40 0.55 0.87 -1.95 -3.41 113.55 104.82 1k3j h SER 61 Ca -0.29 -0.24 -0.26 0.00 -1.23 0.00 0.00 61.79 59.77 1k3j h SER 61 Cb 1.02 -0.08 -0.15 0.00 -0.44 0.00 0.00 62.40 62.75 1k3j h SER 61 CO 0.29 1.13 -0.70 -0.51 -0.53 0.00 0.00 176.83 176.52 1k3j s ILE 62 N -2.86 0.83 0.00 2.23 1.10 -1.26 -2.17 121.20 119.07 1k3j s ILE 62 Ca -0.02 -1.98 0.00 0.00 -0.51 0.00 0.00 60.65 58.14 1k3j s ILE 62 Cb 0.09 -1.79 0.00 0.00 0.15 0.00 0.00 42.46 40.90 1k3j s ILE 62 CO 0.85 -0.78 0.00 0.29 -2.11 0.00 0.00 174.94 173.19 1k3j n LYS 63 N -0.12 0.00 -3.69 3.50 4.76 -0.82 -4.89 118.16 116.91 1k3j n LYS 63 Ca -0.11 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.18 1k3j n LYS 63 Cb 0.61 -0.26 -0.15 0.00 -1.84 0.00 0.00 35.03 33.39 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 -0.95 0.08 -0.07 1.97 2.20 -1.17 -5.02 119.74 116.78 1k3j s LYS 64 Ca 0.00 0.55 0.01 0.00 -0.36 0.00 0.00 55.97 56.17 1k3j s LYS 64 Cb 0.00 -0.20 -0.03 0.00 -1.51 0.00 0.00 37.83 36.10 1k3j s LYS 64 CO 0.00 -0.26 -0.07 0.54 -0.36 0.00 0.00 175.35 175.20 1k3j s VAL 65 N 1.99 3.71 -0.12 4.02 0.11 -1.26 -2.86 120.40 125.99 1k3j s VAL 65 Ca -0.01 -0.48 -0.06 0.00 -2.93 0.00 0.00 61.98 58.50 1k3j s VAL 65 Cb -0.12 -2.52 -0.04 0.00 -1.53 0.00 0.00 36.38 32.18 1k3j s VAL 65 CO -0.07 0.60 0.12 0.26 -3.33 0.00 0.00 175.10 172.69 1k3j s TRP 66 N -0.78 3.55 -0.12 1.54 0.51 0.60 -4.88 118.94 119.36 1k3j s TRP 66 Ca 0.12 0.49 -0.01 0.00 -2.12 0.00 0.00 56.10 54.58 1k3j s TRP 66 Cb -0.11 -1.93 -0.02 0.00 -0.81 0.00 0.00 33.47 30.60 1k3j s TRP 66 CO 0.01 0.70 -0.09 0.99 -0.51 0.00 0.00 176.95 178.05 1k3j s THR 67 N -0.99 3.43 0.06 2.01 2.01 -1.26 0.15 115.64 121.04 1k3j s THR 67 Ca 0.15 -0.54 0.10 0.00 0.31 0.00 0.00 61.69 61.70 1k3j s THR 67 Cb -0.12 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.92 1k3j s THR 67 CO 0.04 0.54 -0.27 -0.36 -0.69 0.00 0.00 174.62 173.88 1k3j s PHE 68 N -0.00 2.32 -4.80 4.92 0.40 0.43 0.16 117.98 121.41 1k3j s PHE 68 Ca -0.02 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.90 1k3j s PHE 68 Cb -0.14 -1.36 0.00 0.00 0.51 0.00 0.00 43.02 42.03 1k3j s PHE 68 CO 0.03 0.17 0.00 0.41 0.70 0.00 0.00 175.22 176.53 1k3j n GLY 69 N 1.60 -1.33 0.34 4.36 0.00 0.03 0.12 105.19 110.31 1k3j n GLY 69 Ca -0.17 -1.21 0.06 0.00 0.00 0.00 0.00 46.02 44.70 1k3j n GLY 69 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1k3j n ARG 70 N 0.00 1.43 -2.99 1.61 1.85 0.66 -1.02 116.66 118.21 1k3j n ARG 70 Ca 0.00 -0.66 -0.40 0.00 -1.00 0.00 0.00 57.85 55.79 1k3j n ARG 70 Cb 0.00 -1.24 -0.05 0.00 -1.05 0.00 0.00 32.46 30.12 1k3j n ARG 70 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 1k3j s ASN 71 N -1.25 7.19 0.23 2.89 3.04 -0.14 -4.49 114.94 122.41 1k3j s ASN 71 Ca 0.21 1.43 0.20 0.00 0.04 0.00 0.00 52.86 54.73 1k3j s ASN 71 Cb 0.11 -2.46 0.91 0.00 -1.54 0.00 0.00 41.25 38.27 1k3j s ASN 71 CO 0.16 0.00 1.60 -2.65 -3.04 0.00 0.00 177.10 173.17 1k3j n PRO 72 N 2.89 0.14 0.02 0.43 -0.02 -1.26 -2.02 135.00 135.18 1k3j n PRO 72 Ca -0.02 0.48 -0.20 0.00 -2.02 0.00 0.00 63.50 61.73 1k3j n PRO 72 Cb 0.50 -1.83 -0.14 0.00 -0.02 0.00 0.00 33.50 32.02 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 2.18 0.05 -1.26 3.55 0.00 -1.96 -3.47 119.26 118.36 1k3j h ALA 73 Ca 0.00 -0.89 -0.68 0.00 0.00 0.00 0.00 54.91 53.35 1k3j h ALA 73 Cb 0.20 0.30 0.10 0.00 0.00 0.00 0.00 17.79 18.38 1k3j h ALA 73 CO 0.00 0.57 -0.22 0.00 0.00 0.00 0.00 179.25 179.60 1k3j h ASP 75 N 1.80 0.00 -3.32 0.00 5.19 0.12 -3.33 116.42 116.88 1k3j h ASP 75 Ca -0.36 0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 55.47 1k3j h ASP 75 Cb 1.41 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 40.52 1k3j h ASP 75 CO 0.61 0.00 -0.76 -0.47 -3.12 0.00 0.00 179.24 175.50 1k3j s TYR 76 N -3.98 1.97 -0.21 4.55 5.04 -0.14 -4.94 117.35 119.64 1k3j s TYR 76 Ca -0.04 -1.76 -0.24 0.00 -2.44 0.00 0.00 57.07 52.59 1k3j s TYR 76 Cb 0.10 -1.73 -0.01 0.00 0.35 0.00 0.00 41.96 40.66 1k3j s TYR 76 CO 0.31 -0.83 0.78 -1.58 -1.34 0.00 0.00 175.55 172.89 1k3j s HIS 77 N 1.53 3.36 -0.03 4.97 5.65 -1.25 -0.79 115.29 128.73 1k3j s HIS 77 Ca 0.06 1.11 -0.04 0.00 0.25 0.00 0.00 55.06 56.44 1k3j s HIS 77 Cb -0.18 -2.98 -0.01 0.00 -1.18 0.00 0.00 32.58 28.23 1k3j s HIS 77 CO -0.17 -0.30 -0.07 1.28 -0.65 0.00 0.00 174.74 174.83 1k3j n LEU 78 N 5.56 0.44 0.00 8.88 4.77 -0.19 -4.74 117.00 131.73 1k3j n LEU 78 Ca 0.03 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1k3j n LEU 78 Cb 0.48 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1k3j n LEU 78 CO 0.47 -0.47 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1k3j n GLY 79 N 1.88 -1.47 2.33 -0.72 0.00 -1.26 -4.86 105.19 101.09 1k3j n GLY 79 Ca -0.03 0.72 -0.02 0.00 0.00 0.00 0.00 46.02 46.69 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 -0.79 -4.73 1.61 6.94 -1.26 -4.66 115.26 112.36 1k3j n ASN 80 Ca 0.00 -1.45 -0.41 0.00 -0.02 0.00 0.00 54.58 52.70 1k3j n ASN 80 Cb 0.00 0.71 -0.04 0.00 -2.36 0.00 0.00 39.78 38.09 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 0.02 4.05 0.18 1.53 -1.09 -1.26 -4.95 121.20 119.68 1k3j s ILE 81 Ca 0.02 1.71 -0.09 0.00 -2.23 0.00 0.00 60.65 60.06 1k3j s ILE 81 Cb 0.04 -4.09 0.08 0.00 -1.58 0.00 0.00 42.46 36.91 1k3j s ILE 81 CO -0.01 0.27 1.68 0.77 -1.23 0.00 0.00 174.94 176.41 1k3j h SER 82 N 5.42 1.03 0.05 3.58 4.64 -2.01 -2.45 113.55 123.80 1k3j h SER 82 Ca -0.44 -0.26 -0.00 0.00 -0.47 0.00 0.00 61.79 60.62 1k3j h SER 82 Cb 1.21 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1k3j h SER 82 CO 0.73 1.03 -0.02 -0.09 -0.87 0.00 0.00 176.83 177.61 1k3j h ARG 83 N 0.98 0.00 -6.26 4.77 9.65 -1.92 -3.42 114.38 118.19 1k3j h ARG 83 Ca 0.19 0.00 -0.61 0.00 -1.10 0.00 0.00 59.98 58.46 1k3j h ARG 83 Cb 0.44 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 28.93 1k3j h ARG 83 CO 0.01 0.02 -0.62 -0.51 2.80 0.00 0.00 179.97 181.67 1k3j s LEU 84 N -7.54 3.62 0.15 3.80 1.02 -0.92 -4.39 118.68 114.42 1k3j s LEU 84 Ca -0.05 -0.17 0.01 0.00 0.02 0.00 0.00 54.13 53.94 1k3j s LEU 84 Cb 0.15 -2.28 -0.04 0.00 0.02 0.00 0.00 46.19 44.04 1k3j s LEU 84 CO 0.54 0.12 0.31 -0.94 0.02 0.00 0.00 176.35 176.40 1k3j s SER 85 N -2.73 6.36 0.12 2.29 1.04 -1.26 -4.65 113.70 114.87 1k3j s SER 85 Ca 0.29 0.27 -0.08 0.00 0.48 0.00 0.00 55.95 56.90 1k3j s SER 85 Cb -0.11 -1.95 0.14 0.00 0.10 0.00 0.00 66.02 64.20 1k3j s SER 85 CO 0.21 0.04 0.80 0.59 0.98 0.00 0.00 173.24 175.86 1k3j n ASN 86 N -0.43 -0.31 -3.92 7.02 4.13 -1.26 -0.92 115.26 119.58 1k3j n ASN 86 Ca -0.06 0.90 -0.29 0.00 1.68 0.00 0.00 54.58 56.81 1k3j n ASN 86 Cb 0.53 -0.22 -0.13 0.00 -1.54 0.00 0.00 39.78 38.43 1k3j n ASN 86 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1k3j s LYS 87 N -5.51 2.26 0.13 3.52 1.02 -1.26 -0.24 119.74 119.65 1k3j s LYS 87 Ca -0.07 -3.05 -0.17 0.00 0.02 0.00 0.00 55.97 52.69 1k3j s LYS 87 Cb 0.11 -3.37 -0.02 0.00 -0.52 0.00 0.00 37.83 34.03 1k3j s LYS 87 CO 0.37 -1.22 1.74 1.25 -0.92 0.00 0.00 175.35 176.57 1k3j h HIS 88 N 5.84 0.46 -4.12 3.18 2.76 0.29 -3.35 115.15 120.22 1k3j h HIS 88 Ca 0.05 -0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 58.10 1k3j h HIS 88 Cb 0.81 -0.15 -0.15 0.00 1.55 0.00 0.00 27.41 29.48 1k3j h HIS 88 CO 0.62 0.37 -0.57 -0.59 -1.30 0.00 0.00 177.93 176.45 1k3j s PHE 89 N -5.87 0.44 0.01 5.26 -0.71 -0.69 0.13 117.98 116.56 1k3j s PHE 89 Ca -0.13 -0.93 0.02 0.00 -1.04 0.00 0.00 56.93 54.85 1k3j s PHE 89 Cb 0.10 -0.29 -0.01 0.00 -1.21 0.00 0.00 43.02 41.61 1k3j s PHE 89 CO 0.72 -0.46 -0.06 -1.14 -1.34 0.00 0.00 175.22 172.95 1k3j s GLN 90 N -3.92 0.46 -0.07 1.99 0.74 0.47 0.16 119.66 119.50 1k3j s GLN 90 Ca 0.08 -0.38 0.04 0.00 0.05 0.00 0.00 55.36 55.16 1k3j s GLN 90 Cb 0.07 -0.37 -0.00 0.00 1.10 0.00 0.00 33.01 33.81 1k3j s GLN 90 CO -0.09 0.09 -0.21 0.42 -0.55 0.00 0.00 175.29 174.95 1k3j s ILE 91 N -0.55 1.81 0.00 -2.34 1.01 0.40 0.18 121.20 121.71 1k3j s ILE 91 Ca -0.02 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 59.80 1k3j s ILE 91 Cb -0.05 -1.56 -0.02 0.00 0.01 0.00 0.00 42.46 40.85 1k3j s ILE 91 CO 0.00 0.51 -0.19 -1.48 0.00 0.00 0.00 174.94 173.78 1k3j s LEU 92 N 0.22 2.08 -0.06 2.97 2.34 -0.11 0.22 118.68 126.34 1k3j s LEU 92 Ca -0.12 -0.39 0.04 0.00 0.06 0.00 0.00 54.13 53.71 1k3j s LEU 92 Cb -0.16 -0.94 0.00 0.00 -0.56 0.00 0.00 46.19 44.53 1k3j s LEU 92 CO 0.06 0.20 -0.17 -0.22 -1.06 0.00 0.00 176.35 175.15 1k3j s LEU 93 N -0.68 1.88 0.00 1.48 2.96 -1.14 -0.68 118.68 122.50 1k3j s LEU 93 Ca 0.07 -0.38 0.00 0.00 -0.22 0.00 0.00 54.13 53.59 1k3j s LEU 93 Cb -0.08 -1.03 0.00 0.00 0.50 0.00 0.00 46.19 45.58 1k3j s LEU 93 CO 0.00 0.12 0.00 0.61 -1.32 0.00 0.00 176.35 175.76 1k3j n GLY 94 N 3.41 -0.70 5.21 7.98 0.00 -1.25 -1.95 105.19 117.89 1k3j n GLY 94 Ca -0.20 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1k3j n GLY 94 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1k3j n GLU 95 N 0.00 0.00 0.00 1.61 1.02 -0.92 -2.51 120.64 119.84 1k3j n GLU 95 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1k3j n GLU 95 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1k3j n GLU 95 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1k3j n ASP 96 N 1.84 0.47 0.00 1.62 9.92 -1.26 -5.01 116.55 124.13 1k3j n ASP 96 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1k3j n ASP 96 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 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 2.05 0.02 3.40 0.44 0.00 -1.04 -5.07 105.19 104.98 1k3j n GLY 97 Ca 0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1k3j n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1k3j n ASN 98 N -0.43 -2.15 -4.73 1.61 4.13 -1.26 -4.74 115.26 107.70 1k3j n ASN 98 Ca 0.00 -0.24 -0.27 0.00 1.68 0.00 0.00 54.58 55.75 1k3j n ASN 98 Cb 0.00 -1.17 -0.07 0.00 -1.54 0.00 0.00 39.78 37.00 1k3j n ASN 98 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1k3j s LEU 99 N -6.16 3.56 0.01 3.41 0.20 -1.26 -3.76 118.68 114.67 1k3j s LEU 99 Ca 0.66 -0.25 0.04 0.00 0.69 0.00 0.00 54.13 55.27 1k3j s LEU 99 Cb -0.22 -2.20 -0.01 0.00 -0.43 0.00 0.00 46.19 43.33 1k3j s LEU 99 CO 0.65 0.09 -0.12 -0.76 -0.29 0.00 0.00 176.35 175.92 1k3j s LEU 100 N -2.96 2.08 -0.18 -0.68 1.02 0.15 -1.25 118.68 116.86 1k3j s LEU 100 Ca 0.29 -0.29 -0.02 0.00 0.02 0.00 0.00 54.13 54.13 1k3j s LEU 100 Cb -0.10 -0.57 -0.01 0.00 0.02 0.00 0.00 46.19 45.54 1k3j s LEU 100 CO 0.21 0.09 -0.09 -1.48 0.02 0.00 0.00 176.35 175.09 1k3j s LEU 101 N -0.59 2.77 -0.20 1.79 0.05 -0.53 -0.93 118.68 121.04 1k3j s LEU 101 Ca 0.03 -0.37 -0.01 0.00 0.05 0.00 0.00 54.13 53.82 1k3j s LEU 101 Cb -0.06 -1.66 0.01 0.00 -2.05 0.00 0.00 46.19 42.43 1k3j s LEU 101 CO 0.00 0.07 -0.12 0.21 -0.55 0.00 0.00 176.35 175.96 1k3j s ASN 102 N 0.93 3.70 0.17 1.48 2.47 0.46 -2.04 114.94 122.12 1k3j s ASN 102 Ca -0.02 -0.52 -0.29 0.00 0.42 0.00 0.00 52.86 52.45 1k3j s ASN 102 Cb -0.15 -1.61 -0.07 0.00 -1.45 0.00 0.00 41.25 37.97 1k3j s ASN 102 CO -0.00 -0.00 0.92 1.51 -3.72 0.00 0.00 177.10 175.81 1k3j s ASP 103 N 1.35 7.54 -0.26 -4.21 1.47 -1.24 0.18 116.67 121.51 1k3j s ASP 103 Ca 0.05 1.83 0.21 0.00 1.18 0.00 0.00 52.55 55.82 1k3j s ASP 103 Cb -0.14 -2.58 0.48 0.00 -0.34 0.00 0.00 42.92 40.34 1k3j s ASP 103 CO -0.08 0.07 1.21 2.30 0.68 0.00 0.00 175.17 179.34 1k3j n ILE 104 N 2.08 0.91 -3.48 2.11 -5.35 -0.31 0.20 119.36 115.53 1k3j n ILE 104 Ca -0.01 -2.37 -0.22 0.00 -0.27 0.00 0.00 62.75 59.89 1k3j n ILE 104 Cb 0.48 1.22 -0.01 0.00 -1.74 0.00 0.00 39.64 39.59 1k3j n ILE 104 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1k3j s SER 105 N -3.10 6.12 0.13 7.28 0.01 0.35 -4.22 113.70 120.27 1k3j s SER 105 Ca 0.23 0.15 -0.12 0.00 1.31 0.00 0.00 55.95 57.52 1k3j s SER 105 Cb 0.35 -1.67 -0.04 0.00 0.21 0.00 0.00 66.02 64.86 1k3j s SER 105 CO -0.07 -0.35 1.49 0.74 0.41 0.00 0.00 173.24 175.46 1k3j h THR 106 N 0.83 1.28 0.00 1.44 2.02 -1.88 -3.29 112.91 113.30 1k3j h THR 106 Ca -0.49 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 65.25 1k3j h THR 106 Cb 1.24 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 1k3j h THR 106 CO 0.58 0.48 -1.86 -0.46 0.37 0.00 0.00 175.52 174.63 1k3j n ASN 107 N -4.15 0.12 0.00 4.18 0.23 -1.26 -5.09 115.26 109.28 1k3j n ASN 107 Ca -0.02 0.04 0.00 0.00 -0.53 0.00 0.00 54.58 54.07 1k3j n ASN 107 Cb 0.49 1.79 0.00 0.00 -2.08 0.00 0.00 39.78 39.98 1k3j n ASN 107 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1k3j n GLY 108 N 1.25 3.57 3.36 4.83 0.00 -1.24 -4.98 105.19 111.98 1k3j n GLY 108 Ca -0.03 -1.84 -0.32 0.00 0.00 0.00 0.00 46.02 43.83 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 -2.62 2.46 0.08 2.61 2.01 -1.26 -4.39 115.64 114.51 1k3j s THR 109 Ca 0.00 -0.94 0.06 0.00 0.31 0.00 0.00 61.69 61.12 1k3j s THR 109 Cb 0.00 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.56 1k3j s THR 109 CO 0.00 0.58 -0.08 0.26 -0.69 0.00 0.00 174.62 174.69 1k3j s TRP 110 N -0.46 2.80 -0.21 4.92 0.51 0.41 -2.60 118.94 124.31 1k3j s TRP 110 Ca 0.05 -0.11 0.01 0.00 -2.12 0.00 0.00 56.10 53.93 1k3j s TRP 110 Cb -0.12 -1.49 0.05 0.00 -0.81 0.00 0.00 33.47 31.10 1k3j s TRP 110 CO 0.01 0.41 -0.10 -1.17 -0.51 0.00 0.00 176.95 175.60 1k3j s LEU 111 N -2.00 2.41 -1.69 2.99 2.96 0.72 0.14 118.68 124.21 1k3j s LEU 111 Ca 0.21 -0.97 -0.15 0.00 -0.22 0.00 0.00 54.13 52.99 1k3j s LEU 111 Cb -0.11 -1.25 0.14 0.00 0.50 0.00 0.00 46.19 45.47 1k3j s LEU 111 CO 0.13 -0.16 0.59 0.59 -1.32 0.00 0.00 176.35 176.17 1k3j n ASN 112 N 4.66 -1.98 0.00 3.68 3.02 -1.06 0.82 115.26 124.40 1k3j n ASN 112 Ca -0.14 -1.10 0.00 0.00 -0.03 0.00 0.00 54.58 53.31 1k3j n ASN 112 Cb 0.46 -2.38 0.00 0.00 -0.61 0.00 0.00 39.78 37.25 1k3j n ASN 112 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k3j n GLY 113 N -1.55 1.86 3.47 7.41 0.00 -1.26 -5.01 105.19 110.10 1k3j n GLY 113 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.39 3.60 -0.00 1.61 -0.21 0.24 -5.06 119.66 119.45 1k3j s GLN 114 Ca 0.00 -0.53 -0.30 0.00 0.02 0.00 0.00 55.36 54.55 1k3j s GLN 114 Cb 0.00 -3.47 -0.05 0.00 1.00 0.00 0.00 33.01 30.49 1k3j s GLN 114 CO 0.00 -0.26 1.25 0.21 -2.12 0.00 0.00 175.29 174.36 1k3j s LYS 115 N 1.64 4.36 0.37 2.91 2.47 -1.26 -0.20 119.74 130.03 1k3j s LYS 115 Ca 0.06 1.78 0.06 0.00 -1.56 0.00 0.00 55.97 56.31 1k3j s LYS 115 Cb -0.16 -3.48 -0.00 0.00 -1.46 0.00 0.00 37.83 32.72 1k3j s LYS 115 CO 0.06 -0.41 0.51 0.14 0.16 0.00 0.00 175.35 175.81 1k3j s VAL 116 N 1.85 3.77 0.03 4.02 -7.23 -1.07 -4.95 120.40 116.82 1k3j s VAL 116 Ca 0.59 -0.96 -0.30 0.00 -1.81 0.00 0.00 61.98 59.49 1k3j s VAL 116 Cb -0.28 -3.30 -0.06 0.00 0.56 0.00 0.00 36.38 33.30 1k3j s VAL 116 CO 0.25 -0.12 1.42 -0.70 -0.31 0.00 0.00 175.10 175.64 1k3j s GLU 117 N -4.25 4.29 1.00 4.82 2.56 -1.26 -4.62 118.70 121.23 1k3j s GLU 117 Ca 0.48 2.01 -0.13 0.00 0.00 0.00 0.00 54.97 57.33 1k3j s GLU 117 Cb -0.10 -3.51 0.10 0.00 2.00 0.00 0.00 34.13 32.62 1k3j s GLU 117 CO 0.32 -0.55 0.54 1.17 -0.56 0.00 0.00 175.26 176.18 1k3j n LYS 118 N 5.08 -0.77 -2.51 4.30 4.81 -1.26 -2.25 118.16 125.57 1k3j n LYS 118 Ca 0.13 -0.18 -0.05 0.00 -0.87 0.00 0.00 58.31 57.33 1k3j n LYS 118 Cb 0.43 -1.96 -0.01 0.00 0.02 0.00 0.00 35.03 33.51 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 -2.32 -0.97 -4.55 3.14 3.02 0.54 -4.87 115.26 109.26 1k3j n ASN 119 Ca 0.06 0.22 -0.32 0.00 -0.03 0.00 0.00 54.58 54.51 1k3j n ASN 119 Cb 0.55 -0.94 -0.11 0.00 -0.61 0.00 0.00 39.78 38.66 1k3j n ASN 119 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1k3j s SER 120 N -1.91 4.34 -0.07 6.41 0.15 -0.95 -4.90 113.70 116.77 1k3j s SER 120 Ca 0.10 -0.22 -0.15 0.00 0.70 0.00 0.00 55.95 56.38 1k3j s SER 120 Cb -0.06 -0.93 -0.05 0.00 -1.71 0.00 0.00 66.02 63.27 1k3j s SER 120 CO 0.13 0.28 0.38 0.20 1.20 0.00 0.00 173.24 175.43 1k3j s ASN 121 N -1.34 6.67 0.10 5.45 0.01 -1.26 -3.59 114.94 120.99 1k3j s ASN 121 Ca 0.16 0.80 0.06 0.00 -0.71 0.00 0.00 52.86 53.16 1k3j s ASN 121 Cb -0.11 -2.23 -0.03 0.00 0.41 0.00 0.00 41.25 39.28 1k3j s ASN 121 CO 0.06 0.21 -0.15 -1.10 -1.51 0.00 0.00 177.10 174.61 1k3j s GLN 122 N -0.34 0.96 -0.17 -0.60 -1.52 -0.86 -4.91 119.66 112.21 1k3j s GLN 122 Ca 0.22 -1.12 -0.29 0.00 -1.95 0.00 0.00 55.36 52.22 1k3j s GLN 122 Cb -0.15 -0.93 -0.02 0.00 -0.22 0.00 0.00 33.01 31.68 1k3j s GLN 122 CO 0.10 0.19 1.42 -1.17 -0.25 0.00 0.00 175.29 175.59 1k3j s LEU 123 N -2.12 4.12 0.79 2.90 1.98 -1.26 -1.46 118.68 123.64 1k3j s LEU 123 Ca 0.04 1.73 -0.15 0.00 -2.89 0.00 0.00 54.13 52.87 1k3j s LEU 123 Cb -0.07 -3.54 -0.01 0.00 0.66 0.00 0.00 46.19 43.23 1k3j s LEU 123 CO 0.03 -0.94 0.54 -0.11 -1.89 0.00 0.00 176.35 173.98 1k3j n LEU 124 N 7.21 0.79 -4.33 -0.68 0.00 -0.38 -4.91 117.00 114.70 1k3j n LEU 124 Ca 0.16 0.52 -0.23 0.00 0.00 0.00 0.00 56.01 56.45 1k3j n LEU 124 Cb 0.45 -1.23 -0.12 0.00 0.00 0.00 0.00 43.42 42.52 1k3j n LEU 124 CO 0.60 -3.16 -0.50 -0.44 0.00 0.00 0.00 177.39 173.89 1k3j s SER 125 N -1.66 2.71 -0.02 1.96 0.01 -1.26 -4.93 113.70 110.51 1k3j s SER 125 Ca 0.64 -0.80 -0.30 0.00 1.31 0.00 0.00 55.95 56.80 1k3j s SER 125 Cb -0.31 -0.16 -0.05 0.00 0.21 0.00 0.00 66.02 65.72 1k3j s SER 125 CO 0.60 0.01 1.37 -1.10 0.41 0.00 0.00 173.24 174.54 1k3j s GLN 126 N -2.47 4.29 -1.81 12.44 -1.52 -1.26 -2.64 119.66 126.68 1k3j s GLN 126 Ca 0.13 1.91 0.00 0.00 -1.95 0.00 0.00 55.36 55.44 1k3j s GLN 126 Cb -0.07 -3.60 0.00 0.00 -0.22 0.00 0.00 33.01 29.11 1k3j s GLN 126 CO 0.06 -0.58 0.00 0.41 -0.25 0.00 0.00 175.29 174.93 1k3j n GLY 127 N 3.62 1.24 3.26 3.09 0.00 -1.00 -4.93 105.19 110.47 1k3j n GLY 127 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 1k3j n GLY 127 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1k3j n ASP 128 N -1.22 -2.68 -3.79 1.61 2.03 -1.08 -4.46 116.55 106.97 1k3j n ASP 128 Ca -0.18 -0.32 -0.13 0.00 0.52 0.00 0.00 54.79 54.67 1k3j n ASP 128 Cb 0.60 -1.00 -0.13 0.00 -0.72 0.00 0.00 41.12 39.87 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 -3.94 0.15 -0.15 -0.67 2.02 -1.26 0.65 118.70 115.51 1k3j s GLU 129 Ca 0.57 0.30 -0.01 0.00 0.02 0.00 0.00 54.97 55.85 1k3j s GLU 129 Cb -0.14 -0.02 -0.01 0.00 0.10 0.00 0.00 34.13 34.05 1k3j s GLU 129 CO 0.59 -0.08 -0.10 0.42 0.02 0.00 0.00 175.26 176.10 1k3j s ILE 130 N 0.56 3.21 -0.12 -1.63 1.01 0.19 -2.56 121.20 121.86 1k3j s ILE 130 Ca -0.04 -0.59 -0.04 0.00 0.00 0.00 0.00 60.65 59.97 1k3j s ILE 130 Cb -0.05 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 1k3j s ILE 130 CO -0.03 0.50 0.05 -0.89 0.00 0.00 0.00 174.94 174.57 1k3j s THR 131 N 0.62 4.72 0.05 2.92 2.01 0.37 0.52 115.64 126.84 1k3j s THR 131 Ca -0.06 -0.08 -0.01 0.00 0.31 0.00 0.00 61.69 61.85 1k3j s THR 131 Cb -0.15 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 1k3j s THR 131 CO 0.03 0.58 -0.02 0.68 -0.69 0.00 0.00 174.62 175.20 1k3j s VAL 132 N -0.65 0.20 0.00 3.82 -7.23 0.21 0.15 120.40 116.90 1k3j s VAL 132 Ca 0.11 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.65 1k3j s VAL 132 Cb -0.12 -1.30 0.00 0.00 0.56 0.00 0.00 36.38 35.52 1k3j s VAL 132 CO 0.02 -0.90 0.00 0.61 -0.31 0.00 0.00 175.10 174.52 1k3j n GLY 133 N 0.36 0.88 3.76 2.32 0.00 -1.26 0.77 105.19 112.02 1k3j n GLY 133 Ca -0.16 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.85 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 3.13 0.00 1.61 1.01 -1.26 -3.48 120.40 119.42 1k3j s VAL 134 Ca 0.00 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.10 1k3j s VAL 134 Cb 0.00 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1k3j s VAL 134 CO 0.00 0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.96 1k3j n GLY 135 N 0.97 3.06 3.07 4.51 0.00 -1.26 -4.97 105.19 110.56 1k3j n GLY 135 Ca -0.00 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.35 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 0.40 1.61 1.01 -1.26 -5.02 120.40 118.51 1k3j s VAL 136 Ca 0.00 -0.61 0.17 0.00 0.00 0.00 0.00 61.98 61.54 1k3j s VAL 136 Cb 0.00 -1.23 0.38 0.00 0.00 0.00 0.00 36.38 35.53 1k3j s VAL 136 CO 0.00 0.41 1.81 -0.08 0.00 0.00 0.00 175.10 177.24 1k3j h GLU 137 N 6.98 0.42 -0.34 2.72 4.81 -1.99 0.31 114.58 127.50 1k3j h GLU 137 Ca -0.28 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1k3j h GLU 137 Cb 1.20 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1k3j h GLU 137 CO 0.47 0.28 0.00 -1.13 -0.73 0.00 0.00 179.01 177.90 1k3j n SER 138 N -4.58 2.49 -0.41 1.04 3.41 -1.26 -4.17 113.62 110.13 1k3j n SER 138 Ca 0.23 -1.89 0.07 0.00 -0.26 0.00 0.00 58.87 57.02 1k3j n SER 138 Cb 0.77 -0.22 0.18 0.00 -0.26 0.00 0.00 64.21 64.68 1k3j n SER 138 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1k3j n ASP 139 N 0.86 1.92 -4.67 4.04 -0.08 0.11 -5.02 116.55 113.71 1k3j n ASP 139 Ca 0.17 -3.52 -0.35 0.00 -1.51 0.00 0.00 54.79 49.58 1k3j n ASP 139 Cb 0.43 -0.48 -0.10 0.00 2.34 0.00 0.00 41.12 43.32 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 -2.98 4.28 -0.05 5.18 1.01 -1.20 -4.34 121.20 123.10 1k3j s ILE 140 Ca 0.35 -0.26 0.05 0.00 0.00 0.00 0.00 60.65 60.79 1k3j s ILE 140 Cb 0.33 -2.80 -0.00 0.00 0.01 0.00 0.00 42.46 39.99 1k3j s ILE 140 CO -0.03 0.60 -0.19 -0.22 0.00 0.00 0.00 174.94 175.09 1k3j s LEU 141 N -0.78 1.95 0.09 2.97 0.20 0.23 -4.96 118.68 118.39 1k3j s LEU 141 Ca 0.12 -0.41 0.04 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 44.51 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 0.07 5.14 0.07 3.68 0.15 -1.26 0.65 113.70 122.20 1k3j s SER 142 Ca -0.06 -0.14 0.02 0.00 0.70 0.00 0.00 55.95 56.47 1k3j s SER 142 Cb -0.13 -1.26 -0.03 0.00 -1.71 0.00 0.00 66.02 62.88 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 2.40 -0.01 3.45 1.43 0.18 -3.43 118.68 120.34 1k3j s LEU 143 Ca 0.27 -0.81 0.07 0.00 -1.03 0.00 0.00 54.13 52.62 1k3j s LEU 143 Cb -0.12 -0.11 -0.02 0.00 0.03 0.00 0.00 46.19 45.97 1k3j s LEU 143 CO 0.19 -0.35 -0.21 -0.69 0.23 0.00 0.00 176.35 175.52 1k3j s VAL 144 N -2.66 1.68 -0.24 -1.59 1.01 0.34 0.55 120.40 119.49 1k3j s VAL 144 Ca 0.02 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 61.01 1k3j s VAL 144 Cb -0.01 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1k3j s VAL 144 CO -0.03 0.47 0.06 -0.63 0.00 0.00 0.00 175.10 174.98 1k3j s ILE 145 N -0.51 4.31 -0.20 2.22 1.01 0.21 0.30 121.20 128.54 1k3j s ILE 145 Ca 0.08 -0.18 -0.06 0.00 0.00 0.00 0.00 60.65 60.50 1k3j s ILE 145 Cb -0.08 -3.01 -0.03 0.00 0.01 0.00 0.00 42.46 39.35 1k3j s ILE 145 CO -0.01 0.35 0.02 0.12 0.00 0.00 0.00 174.94 175.43 1k3j s PHE 146 N 1.50 3.10 -0.18 3.97 5.36 0.35 -2.37 117.98 129.71 1k3j s PHE 146 Ca 0.06 -0.27 -0.10 0.00 -0.96 0.00 0.00 56.93 55.66 1k3j s PHE 146 Cb -0.15 -2.09 -0.05 0.00 -0.34 0.00 0.00 43.02 40.40 1k3j s PHE 146 CO 0.03 -0.11 0.17 0.42 -1.46 0.00 0.00 175.22 174.27 1k3j s ILE 147 N 0.81 5.40 -0.38 3.12 1.09 -1.26 0.15 121.20 130.13 1k3j s ILE 147 Ca 0.02 0.27 -0.29 0.00 -1.10 0.00 0.00 60.65 59.55 1k3j s ILE 147 Cb -0.14 -3.49 0.01 0.00 -1.06 0.00 0.00 42.46 37.78 1k3j s ILE 147 CO 0.02 0.46 1.33 0.20 -0.10 0.00 0.00 174.94 176.85 1k3j s ASN 148 N 0.17 6.51 0.42 3.58 -0.87 -1.24 -4.89 114.94 118.62 1k3j s ASN 148 Ca 0.11 0.92 0.10 0.00 -1.57 0.00 0.00 52.86 52.41 1k3j s ASN 148 Cb -0.12 -2.54 0.92 0.00 -0.02 0.00 0.00 41.25 39.49 1k3j s ASN 148 CO 0.00 -1.27 2.03 -2.24 -2.57 0.00 0.00 177.10 173.05 1k3j h ASP 149 N 9.94 0.44 -0.37 -1.22 2.03 -1.95 -2.02 116.42 123.28 1k3j h ASP 149 Ca -0.26 -0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.03 1k3j h ASP 149 Cb 1.10 -0.10 -0.02 0.00 -0.83 0.00 0.00 39.33 39.48 1k3j h ASP 149 CO 1.07 0.30 0.22 0.50 -1.03 0.00 0.00 179.24 180.30 1k3j h LYS 150 N 0.51 0.49 -0.53 4.15 1.63 -1.95 -0.01 116.57 120.86 1k3j h LYS 150 Ca 0.21 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.95 1k3j h LYS 150 Cb 0.18 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.68 1k3j h LYS 150 CO -0.05 0.37 0.29 0.35 -3.45 0.00 0.00 179.45 176.96 1k3j h PHE 151 N 0.48 0.73 -0.36 1.91 3.57 -1.62 -2.49 116.94 119.16 1k3j h PHE 151 Ca 0.13 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 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 -0.04 0.53 -0.06 -0.22 -2.23 0.00 0.00 178.31 176.29 1k3j h LYS 152 N 0.71 0.59 -0.72 1.11 3.11 -1.19 -2.70 116.57 117.48 1k3j h LYS 152 Ca 0.19 -0.16 0.02 0.00 -2.81 0.00 0.00 60.65 57.89 1k3j h LYS 152 Cb 0.04 -0.07 -0.04 0.00 -1.00 0.00 0.00 32.23 31.16 1k3j h LYS 152 CO -0.03 0.66 0.46 0.37 -2.81 0.00 0.00 179.45 178.10 1k3j h GLN 153 N 0.55 0.89 -0.25 1.90 -0.00 -0.56 0.38 115.11 118.02 1k3j h GLN 153 Ca 0.11 -0.05 -0.04 0.00 -0.00 0.00 0.00 58.65 58.67 1k3j h GLN 153 Cb 0.45 -0.20 -0.01 0.00 0.00 0.00 0.00 27.48 27.72 1k3j h GLN 153 CO 0.02 0.59 0.01 0.00 0.00 0.00 0.00 178.83 179.45 1k3j h LEU 155 N 0.22 0.74 -1.04 0.00 -0.00 -1.17 0.71 115.31 114.78 1k3j h LEU 155 Ca 0.07 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1k3j h LEU 155 Cb 0.39 -0.19 -0.05 0.00 -0.00 0.00 0.00 40.66 40.82 1k3j h LEU 155 CO 0.01 0.65 0.58 -0.08 -0.00 0.00 0.00 178.44 179.60 1k3j h GLU 156 N 0.81 1.24 0.12 1.13 4.81 -0.77 -2.95 114.58 118.97 1k3j h GLU 156 Ca 0.20 -0.09 -0.33 0.00 -0.13 0.00 0.00 59.36 59.00 1k3j h GLU 156 Cb 0.12 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1k3j h GLU 156 CO -0.02 0.84 -1.72 1.96 -0.73 0.00 0.00 179.01 179.35 1k3j h GLN 157 N 1.26 0.26 0.00 1.92 7.50 -1.20 -3.50 115.11 121.36 1k3j h GLN 157 Ca 0.33 -0.45 0.01 0.00 0.50 0.00 0.00 58.65 59.05 1k3j h GLN 157 Cb -0.10 0.17 -0.00 0.00 0.05 0.00 0.00 27.48 27.60 1k3j h GLN 157 CO -0.07 1.12 -0.01 0.27 -1.50 0.00 0.00 178.83 178.64 1k3j n ASN 158 N -3.45 -1.29 -4.72 1.46 0.23 0.24 -4.55 115.26 103.19 1k3j n ASN 158 Ca -0.22 0.04 -0.42 0.00 -0.53 0.00 0.00 54.58 53.45 1k3j n ASN 158 Cb 1.05 -0.16 -0.04 0.00 -2.08 0.00 0.00 39.78 38.56 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 -0.15 4.60 -0.21 -3.83 -2.85 -1.26 -5.02 119.74 111.01 1k3j s LYS 159 Ca 0.00 1.47 -0.18 0.00 -1.00 0.00 0.00 55.97 56.26 1k3j s LYS 159 Cb 0.00 -3.41 -0.03 0.00 -2.06 0.00 0.00 37.83 32.32 1k3j s LYS 159 CO 0.00 0.03 0.49 0.14 0.10 0.00 0.00 175.35 176.12 1k3j s VAL 160 N 0.60 5.11 0.09 1.79 -7.23 -1.26 -4.95 120.40 114.55 1k3j s VAL 160 Ca 0.51 0.89 0.04 0.00 -1.81 0.00 0.00 61.98 61.61 1k3j s VAL 160 Cb -0.23 -3.82 -0.23 0.00 0.56 0.00 0.00 36.38 32.66 1k3j s VAL 160 CO 0.29 0.17 1.17 0.44 -0.31 0.00 0.00 175.10 176.86 1k3j h ASP 161 N 7.58 0.12 -3.34 4.85 3.32 -1.98 -3.44 116.42 123.52 1k3j h ASP 161 Ca -0.33 -0.13 -0.48 0.00 0.02 0.00 0.00 57.03 56.10 1k3j h ASP 161 Cb 1.15 -0.04 -0.35 0.00 0.22 0.00 0.00 39.33 40.31 1k3j h ASP 161 CO 0.73 1.11 -0.80 -0.13 -1.72 0.00 0.00 179.24 178.43 1k3j s ARG 162 N -2.68 1.32 -0.00 3.56 1.81 -1.26 -5.13 118.95 116.57 1k3j s ARG 162 Ca -0.01 -0.24 -0.24 0.00 -1.72 0.00 0.00 55.73 53.52 1k3j s ARG 162 Cb 0.09 -1.27 -0.05 0.00 -0.45 0.00 0.00 34.95 33.27 1k3j s ARG 162 CO 0.84 -0.12 0.72 -1.50 -0.68 0.00 0.00 175.30 174.56 1k3j s ILE 163 N 1.16 4.87 0.00 1.52 1.10 -1.26 -5.25 121.20 123.33 1k3j s ILE 163 Ca -0.06 1.51 0.00 0.00 -0.51 0.00 0.00 60.65 61.59 1k3j s ILE 163 Cb -0.14 -4.06 0.00 0.00 0.15 0.00 0.00 42.46 38.40 1k3j s ILE 163 CO -0.02 0.33 0.00 -1.14 -2.11 0.00 0.00 174.94 172.01