#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knf s ARG 2 N 0.00 0.05 0.13 2.12 0.52 -0.41 -0.98 118.95 120.39 3knf s ARG 2 Ca 0.00 0.50 0.07 0.00 -0.52 0.00 0.00 55.73 55.78 3knf s ARG 2 Cb 0.00 -0.25 -0.04 0.00 0.52 0.00 0.00 34.95 35.18 3knf s ARG 2 CO 0.00 -0.26 -0.17 0.54 0.02 0.00 0.00 175.30 175.43 3knf s VAL 3 N 1.94 1.59 -0.19 3.52 0.11 0.09 0.42 120.40 127.87 3knf s VAL 3 Ca -0.01 -1.74 -0.01 0.00 -2.93 0.00 0.00 61.98 57.30 3knf s VAL 3 Cb -0.12 -1.63 0.05 0.00 -1.53 0.00 0.00 36.38 33.15 3knf s VAL 3 CO -0.06 -0.29 -0.03 -0.69 -3.33 0.00 0.00 175.10 170.70 3knf s VAL 4 N -1.85 1.12 -0.03 2.04 1.01 0.32 -1.12 120.40 121.89 3knf s VAL 4 Ca 0.10 -0.79 -0.16 0.00 0.00 0.00 0.00 61.98 61.13 3knf s VAL 4 Cb -0.07 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 3knf s VAL 4 CO 0.05 -0.01 0.44 -0.63 0.00 0.00 0.00 175.10 174.95 3knf s ILE 5 N 1.61 5.04 -0.07 2.22 -1.09 -0.34 0.06 121.20 128.63 3knf s ILE 5 Ca -0.02 0.91 -0.00 0.00 -2.23 0.00 0.00 60.65 59.31 3knf s ILE 5 Cb -0.17 -3.76 0.02 0.00 -1.58 0.00 0.00 42.46 36.98 3knf s ILE 5 CO -0.07 0.50 -0.04 -1.10 -1.23 0.00 0.00 174.94 173.00 3knf s GLN 6 N -0.57 0.95 0.10 2.79 -0.21 -0.17 -0.48 119.66 122.06 3knf s GLN 6 Ca 0.25 -0.07 -0.31 0.00 0.02 0.00 0.00 55.36 55.25 3knf s GLN 6 Cb -0.17 -1.09 -0.07 0.00 1.00 0.00 0.00 33.01 32.69 3knf s GLN 6 CO 0.13 -0.21 1.25 0.50 -2.12 0.00 0.00 175.29 174.85 3knf s ARG 7 N 1.50 4.41 0.36 2.91 3.52 0.53 -1.76 118.95 130.42 3knf s ARG 7 Ca -0.01 1.87 0.04 0.00 -0.13 0.00 0.00 55.73 57.50 3knf s ARG 7 Cb -0.13 -3.30 -0.05 0.00 -1.56 0.00 0.00 34.95 29.90 3knf s ARG 7 CO -0.04 -0.28 0.07 0.14 -0.81 0.00 0.00 175.30 174.38 3knf s VAL 8 N 0.88 1.12 -0.26 7.11 -7.23 -0.37 0.14 120.40 121.80 3knf s VAL 8 Ca 0.59 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.84 3knf s VAL 8 Cb -0.32 -2.69 -0.09 0.00 0.56 0.00 0.00 36.38 33.84 3knf s VAL 8 CO 0.31 0.00 0.27 0.29 -0.31 0.00 0.00 175.10 175.66 3knf n LYS 9 N -0.78 3.35 -3.56 4.82 5.02 -0.80 -2.56 118.16 123.65 3knf n LYS 9 Ca -0.04 -0.02 0.03 0.00 -2.02 0.00 0.00 58.31 56.26 3knf n LYS 9 Cb 0.66 -0.94 0.01 0.00 -0.02 0.00 0.00 35.03 34.74 3knf n LYS 9 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3knf n GLY 10 N 1.42 0.25 0.00 0.72 0.00 -0.85 -1.34 105.19 105.39 3knf n GLY 10 Ca 0.01 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.04 3knf n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knf n ALA 11 N -1.40 0.00 -4.02 4.61 0.00 0.27 -3.44 120.51 116.54 3knf n ALA 11 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.04 3knf n ALA 11 Cb 0.46 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.75 3knf n ALA 11 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3knf s ILE 12 N -0.20 1.93 -0.01 0.00 1.01 0.46 -0.95 121.20 123.43 3knf s ILE 12 Ca 0.00 -1.53 -0.21 0.00 0.00 0.00 0.00 60.65 58.91 3knf s ILE 12 Cb 0.00 -2.12 -0.05 0.00 0.01 0.00 0.00 42.46 40.29 3knf s ILE 12 CO 0.00 -0.10 0.61 -0.22 0.00 0.00 0.00 174.94 175.23 3knf s LEU 13 N 1.20 4.40 0.41 2.97 0.20 -1.21 -1.46 118.68 125.19 3knf s LEU 13 Ca -0.06 1.17 0.04 0.00 0.69 0.00 0.00 54.13 55.97 3knf s LEU 13 Cb -0.19 -2.95 -0.02 0.00 -0.43 0.00 0.00 46.19 42.60 3knf s LEU 13 CO -0.06 0.07 0.16 -0.44 -0.29 0.00 0.00 176.35 175.79 3knf s SER 14 N -0.05 2.74 0.21 3.68 0.01 0.35 -1.71 113.70 118.93 3knf s SER 14 Ca 0.32 -1.73 -0.13 0.00 1.31 0.00 0.00 55.95 55.72 3knf s SER 14 Cb -0.18 0.59 0.00 0.00 0.21 0.00 0.00 66.02 66.64 3knf s SER 14 CO 0.17 -1.00 0.43 0.68 0.41 0.00 0.00 173.24 173.94 3knf s VAL 15 N -3.21 0.02 -0.02 3.43 -7.23 -0.78 -2.53 120.40 110.08 3knf s VAL 15 Ca 0.25 -1.27 -0.30 0.00 -1.81 0.00 0.00 61.98 58.85 3knf s VAL 15 Cb 0.02 -1.96 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 3knf s VAL 15 CO 0.17 -0.11 1.14 -0.13 -0.31 0.00 0.00 175.10 175.86 3knf s ARG 16 N -3.97 4.41 0.58 4.82 0.52 -1.26 -0.53 118.95 123.52 3knf s ARG 16 Ca 0.18 1.63 0.29 0.00 -0.52 0.00 0.00 55.73 57.31 3knf s ARG 16 Cb 0.00 -3.48 1.44 0.00 0.52 0.00 0.00 34.95 33.43 3knf s ARG 16 CO 0.04 -0.32 1.84 1.49 0.02 0.00 0.00 175.30 178.37 3knf h GLU 26 N 7.13 0.00 -7.17 3.54 4.22 -2.09 -3.44 114.58 116.76 3knf h GLU 26 Ca -0.37 0.00 -0.45 0.00 0.08 0.00 0.00 59.36 58.62 3knf h GLU 26 Cb 1.18 0.00 0.07 0.00 0.50 0.00 0.00 28.75 30.50 3knf h GLU 26 CO 0.84 0.00 0.16 -0.51 -2.18 0.00 0.00 179.01 177.31 3knf s LEU 27 N -7.51 2.95 -0.20 1.64 1.43 -1.26 -5.12 118.68 110.61 3knf s LEU 27 Ca -0.04 0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 53.28 3knf s LEU 27 Cb 0.16 -3.05 0.06 0.00 0.03 0.00 0.00 46.19 43.40 3knf s LEU 27 CO 0.58 -1.46 0.49 -0.70 0.23 0.00 0.00 176.35 175.49 3knf s GLU 28 N -5.11 0.49 0.03 1.70 2.12 0.31 -4.93 118.70 113.31 3knf s GLU 28 Ca 0.59 0.89 -0.30 0.00 0.36 0.00 0.00 54.97 56.51 3knf s GLU 28 Cb -0.11 0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.29 3knf s GLU 28 CO 0.43 -0.15 1.10 0.42 -0.54 0.00 0.00 175.26 176.52 3knf s ILE 29 N 1.35 4.41 0.00 -3.70 1.01 -1.26 -1.87 121.20 121.14 3knf s ILE 29 Ca -0.09 1.73 0.00 0.00 0.00 0.00 0.00 60.65 62.29 3knf s ILE 29 Cb -0.07 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.29 3knf s ILE 29 CO -0.13 0.13 0.00 2.30 0.00 0.00 0.00 174.94 177.24 3knf n ILE 30 N 3.93 0.00 -3.95 2.92 -6.64 -0.70 -4.98 119.36 109.95 3knf n ILE 30 Ca 0.08 -0.31 -0.11 0.00 -1.77 0.00 0.00 62.75 60.64 3knf n ILE 30 Cb 0.48 0.86 -0.02 0.00 -1.44 0.00 0.00 39.64 39.52 3knf n ILE 30 CO 0.00 0.00 0.00 -0.44 -1.77 0.00 0.00 176.55 174.34 3knf s SER 31 N -1.00 0.25 0.00 7.28 0.01 -1.15 -5.00 113.70 114.09 3knf s SER 31 Ca 0.00 -1.15 0.00 0.00 1.31 0.00 0.00 55.95 56.11 3knf s SER 31 Cb 0.00 0.72 0.00 0.00 0.21 0.00 0.00 66.02 66.95 3knf s SER 31 CO 0.00 -1.41 0.00 -1.84 0.41 0.00 0.00 173.24 170.40 3knf n GLU 32 N -0.50 0.00 -4.42 12.44 0.28 -1.26 -3.34 120.64 123.84 3knf n GLU 32 Ca -0.03 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.76 3knf n GLU 32 Cb 0.61 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.37 3knf n GLU 32 CO 0.00 0.00 0.00 0.96 -0.16 0.00 0.00 177.13 177.93 3knf s ILE 33 N 0.00 1.29 0.00 3.84 -4.36 -0.12 -4.98 121.20 116.87 3knf s ILE 33 Ca 0.00 -2.04 0.00 0.00 -0.26 0.00 0.00 60.65 58.35 3knf s ILE 33 Cb 0.00 -2.62 0.00 0.00 1.25 0.00 0.00 42.46 41.09 3knf s ILE 33 CO 0.00 -0.14 0.00 0.29 0.24 0.00 0.00 174.94 175.33 3knf n LYS 34 N -0.61 2.36 -1.67 0.37 4.76 -1.26 -0.57 118.16 121.54 3knf n LYS 34 Ca -0.04 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.97 3knf n LYS 34 Cb 0.65 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.83 3knf n LYS 34 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3knf n ASN 35 N 0.00 2.36 0.00 4.39 3.02 -0.45 -2.01 115.26 122.56 3knf n ASN 35 Ca 0.00 1.20 0.00 0.00 -0.03 0.00 0.00 54.58 55.75 3knf n ASN 35 Cb 0.00 -1.43 0.00 0.00 -0.61 0.00 0.00 39.78 37.74 3knf n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3knf n GLY 36 N 0.90 -0.49 3.30 7.41 0.00 -1.06 -2.72 105.19 112.53 3knf n GLY 36 Ca 0.06 -0.87 -0.20 0.00 0.00 0.00 0.00 46.02 45.00 3knf n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3knf s LEU 37 N 0.00 2.43 -0.19 0.99 1.43 -0.71 -1.24 118.68 121.40 3knf s LEU 37 Ca 0.00 -0.85 -0.03 0.00 -1.03 0.00 0.00 54.13 52.22 3knf s LEU 37 Cb 0.00 -0.72 -0.01 0.00 0.03 0.00 0.00 46.19 45.49 3knf s LEU 37 CO 0.00 -0.08 -0.07 -0.51 0.23 0.00 0.00 176.35 175.92 3knf s ILE 38 N -2.14 3.36 -0.40 -0.59 -1.16 -0.72 -1.15 121.20 118.40 3knf s ILE 38 Ca 0.14 -0.52 -0.07 0.00 -0.51 0.00 0.00 60.65 59.69 3knf s ILE 38 Cb -0.05 -2.49 0.08 0.00 0.61 0.00 0.00 42.46 40.61 3knf s ILE 38 CO 0.05 0.46 0.21 0.00 -2.81 0.00 0.00 174.94 172.86 3knf s PHE 40 N 1.35 2.61 -0.16 0.00 0.08 0.11 -1.21 117.98 120.76 3knf s PHE 40 Ca 0.03 0.17 0.00 0.00 0.12 0.00 0.00 56.93 57.25 3knf s PHE 40 Cb -0.22 -4.40 0.00 0.00 -0.57 0.00 0.00 43.02 37.83 3knf s PHE 40 CO 0.00 -1.60 -0.16 -1.17 -0.10 0.00 0.00 175.22 172.19 3knf s LEU 41 N 4.74 2.38 -0.08 -0.37 2.96 0.11 0.12 118.68 128.55 3knf s LEU 41 Ca 0.37 -0.52 0.05 0.00 -0.22 0.00 0.00 54.13 53.81 3knf s LEU 41 Cb -0.09 -1.54 -0.00 0.00 0.50 0.00 0.00 46.19 45.05 3knf s LEU 41 CO 0.21 0.06 -0.24 -0.83 -1.32 0.00 0.00 176.35 174.24 3knf s GLY 42 N 0.95 1.28 -0.16 7.98 0.00 0.17 0.63 107.32 118.16 3knf s GLY 42 Ca -0.03 -0.96 -0.17 0.00 0.00 0.00 0.00 44.72 43.56 3knf s GLY 42 CO -0.03 -0.42 0.45 -0.42 0.00 0.00 0.00 173.10 172.69 3knf s ILE 43 N 0.17 5.18 0.65 0.90 1.09 -1.26 -1.28 121.20 126.65 3knf s ILE 43 Ca -0.13 0.87 -0.12 0.00 -1.10 0.00 0.00 60.65 60.16 3knf s ILE 43 Cb -0.16 -3.79 -0.02 0.00 -1.06 0.00 0.00 42.46 37.43 3knf s ILE 43 CO 0.07 0.28 1.05 -2.28 -0.10 0.00 0.00 174.94 173.95 3knf s HIS 44 N 1.03 3.18 0.49 3.97 2.46 -1.26 -1.86 115.29 123.29 3knf s HIS 44 Ca 0.23 1.43 0.14 0.00 0.47 0.00 0.00 55.06 57.33 3knf s HIS 44 Cb -0.15 -2.88 1.15 0.00 -0.13 0.00 0.00 32.58 30.57 3knf s HIS 44 CO 0.09 -1.07 2.11 1.57 -2.47 0.00 0.00 174.74 174.97 3knf h LYS 45 N -0.27 0.17 -0.18 2.88 -0.00 -1.52 -2.78 116.57 114.87 3knf h LYS 45 Ca -0.45 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.19 3knf h LYS 45 Cb 1.21 -0.04 0.00 0.00 -0.00 0.00 0.00 32.23 33.40 3knf h LYS 45 CO 0.58 0.11 0.00 0.09 -0.00 0.00 0.00 179.45 180.23 3knf n ASN 46 N -4.51 2.42 -4.36 7.07 3.02 -1.26 -4.81 115.26 112.84 3knf n ASN 46 Ca 0.00 -1.73 -0.39 0.00 -0.03 0.00 0.00 54.58 52.43 3knf n ASN 46 Cb 0.13 -0.11 0.02 0.00 -0.61 0.00 0.00 39.78 39.20 3knf n ASN 46 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3knf n ASP 47 N 0.58 -2.32 -4.09 6.41 8.00 -1.05 -5.00 116.55 119.08 3knf n ASP 47 Ca 0.09 0.74 -0.26 0.00 0.71 0.00 0.00 54.79 56.07 3knf n ASP 47 Cb 0.35 -1.00 -0.06 0.00 -0.02 0.00 0.00 41.12 40.40 3knf n ASP 47 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3knf n THR 48 N -1.43 0.00 0.35 -3.53 -2.24 -1.26 -4.99 114.28 101.18 3knf n THR 48 Ca 0.10 -1.98 0.14 0.00 -2.27 0.00 0.00 64.05 60.04 3knf n THR 48 Cb 0.45 0.45 0.48 0.00 -2.10 0.00 0.00 70.33 69.61 3knf n THR 48 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 3knf h TRP 49 N 1.27 0.00 -0.60 4.78 -0.00 -2.00 -1.72 115.95 117.69 3knf h TRP 49 Ca -0.34 0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 58.51 3knf h TRP 49 Cb 1.05 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 30.18 3knf h TRP 49 CO 0.00 0.00 0.18 0.93 -0.00 0.00 0.00 178.44 179.55 3knf h GLU 50 N 0.00 0.94 -0.45 2.65 4.39 -2.00 -2.63 114.58 117.47 3knf h GLU 50 Ca 0.00 -0.20 -0.13 0.00 0.34 0.00 0.00 59.36 59.36 3knf h GLU 50 Cb 0.62 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 3knf h GLU 50 CO 0.00 0.84 -0.24 -0.44 -1.16 0.00 0.00 179.01 178.01 3knf h ASP 51 N 0.85 0.97 0.62 1.42 3.32 -1.71 -2.53 116.42 119.36 3knf h ASP 51 Ca 0.19 -0.37 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 3knf h ASP 51 Cb 0.30 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 39.58 3knf h ASP 51 CO -0.01 1.15 -0.30 0.00 -1.72 0.00 0.00 179.24 178.37 3knf h ALA 52 N 0.91 -0.83 -0.97 3.45 0.00 -1.46 -2.56 119.26 117.80 3knf h ALA 52 Ca 0.10 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 54.94 3knf h ALA 52 Cb 0.81 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 18.83 3knf h ALA 52 CO 0.07 -0.88 0.60 -0.07 0.00 0.00 0.00 179.25 178.97 3knf h LEU 53 N -1.00 0.85 0.43 0.00 3.38 -1.52 0.88 115.31 118.34 3knf h LEU 53 Ca -0.08 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3knf h LEU 53 Cb 0.68 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3knf h LEU 53 CO 0.14 0.43 -0.44 0.22 0.09 0.00 0.00 178.44 178.88 3knf h TYR 54 N 0.91 -1.21 -0.28 1.13 3.20 -1.41 1.15 116.97 120.45 3knf h TYR 54 Ca 0.50 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.43 3knf h TYR 54 Cb 0.55 0.47 -0.08 0.00 1.54 0.00 0.00 36.73 39.21 3knf h TYR 54 CO -0.02 -0.60 -0.45 0.82 -1.64 0.00 0.00 178.16 176.28 3knf h ILE 55 N -0.89 0.10 -0.74 1.81 1.08 -0.91 0.22 117.51 118.18 3knf h ILE 55 Ca -0.04 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.53 3knf h ILE 55 Cb 0.79 0.10 -0.08 0.00 -3.07 0.00 0.00 36.82 34.57 3knf h ILE 55 CO -0.07 0.00 0.37 0.40 -0.69 0.00 0.00 178.15 178.16 3knf h ILE 56 N -0.42 0.83 -0.50 -0.67 2.04 -0.65 0.17 117.51 118.32 3knf h ILE 56 Ca 0.10 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 3knf h ILE 56 Cb 0.61 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 3knf h ILE 56 CO -0.50 0.11 0.28 -0.09 0.00 0.00 0.00 178.15 177.96 3knf h ARG 57 N 0.62 0.68 0.16 2.37 2.43 0.41 -1.09 114.38 119.97 3knf h ARG 57 Ca 0.37 -0.06 -0.28 0.00 -0.81 0.00 0.00 59.98 59.20 3knf h ARG 57 Cb 0.41 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3knf h ARG 57 CO -0.28 0.50 -1.32 0.87 -1.51 0.00 0.00 179.97 178.22 3knf h LYS 58 N 0.69 0.34 -0.78 0.20 1.79 0.48 -2.38 116.57 116.92 3knf h LYS 58 Ca 0.18 -0.58 0.02 0.00 -2.18 0.00 0.00 60.65 58.09 3knf h LYS 58 Cb 0.00 0.22 -0.04 0.00 -1.58 0.00 0.00 32.23 30.83 3knf h LYS 58 CO -0.03 1.28 0.51 0.00 -1.08 0.00 0.00 179.45 180.13 3knf h LEU 60 N 1.01 0.00 -0.46 0.00 3.38 -1.30 -3.41 115.31 114.53 3knf h LEU 60 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3knf h LEU 60 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3knf h LEU 60 CO -0.07 0.88 -0.14 0.59 0.09 0.00 0.00 178.44 179.79 3knf n ASN 61 N -3.11 0.69 -4.76 -0.43 3.02 -0.89 -4.19 115.26 105.58 3knf n ASN 61 Ca -0.09 -0.84 -0.41 0.00 -0.03 0.00 0.00 54.58 53.21 3knf n ASN 61 Cb 0.95 0.62 -0.03 0.00 -0.61 0.00 0.00 39.78 40.71 3knf n ASN 61 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3knf s LEU 62 N -1.54 4.48 -0.81 3.41 1.43 -0.65 -4.86 118.68 120.15 3knf s LEU 62 Ca 0.03 2.45 -0.12 0.00 -1.03 0.00 0.00 54.13 55.46 3knf s LEU 62 Cb 0.04 -3.63 0.21 0.00 0.03 0.00 0.00 46.19 42.84 3knf s LEU 62 CO 0.14 -0.36 0.73 -0.13 0.23 0.00 0.00 176.35 176.96 3knf s ARG 63 N -1.32 3.47 -0.41 1.70 0.52 -1.26 -3.88 118.95 117.77 3knf s ARG 63 Ca 0.48 -2.50 0.05 0.00 -0.52 0.00 0.00 55.73 53.25 3knf s ARG 63 Cb -0.36 -4.33 0.63 0.00 0.52 0.00 0.00 34.95 31.42 3knf s ARG 63 CO 0.45 -1.27 1.81 1.28 0.02 0.00 0.00 175.30 177.58 3knf n LEU 64 N 3.86 6.09 -4.07 2.53 4.77 -1.06 -4.49 117.00 124.63 3knf n LEU 64 Ca 0.13 -3.65 -0.08 0.00 -0.03 0.00 0.00 56.01 52.38 3knf n LEU 64 Cb 0.45 -0.79 -0.10 0.00 -2.33 0.00 0.00 43.42 40.65 3knf n LEU 64 CO 0.33 1.10 -0.37 0.26 -1.33 0.00 0.00 177.39 177.39 3knf s TRP 65 N -3.28 0.51 0.09 -1.77 0.51 -0.60 -4.96 118.94 109.43 3knf s TRP 65 Ca 0.54 -0.87 0.00 0.00 -2.12 0.00 0.00 56.10 53.65 3knf s TRP 65 Cb 0.46 -0.35 -0.04 0.00 -0.81 0.00 0.00 33.47 32.73 3knf s TRP 65 CO 0.08 -0.28 0.24 1.21 -0.51 0.00 0.00 176.95 177.69 3knf s ASN 66 N -2.46 6.36 -0.73 2.95 2.47 -1.26 0.27 114.94 122.54 3knf s ASN 66 Ca 0.00 0.26 0.04 0.00 0.42 0.00 0.00 52.86 53.58 3knf s ASN 66 Cb 0.02 -1.95 0.18 0.00 -1.45 0.00 0.00 41.25 38.04 3knf s ASN 66 CO -0.06 0.13 0.53 0.21 -3.72 0.00 0.00 177.10 174.19 3knf s ASN 67 N -2.71 5.02 1.42 -4.21 3.04 -1.04 -4.65 114.94 111.81 3knf s ASN 67 Ca 0.35 -3.76 0.00 0.00 0.04 0.00 0.00 52.86 49.50 3knf s ASN 67 Cb -0.12 -1.69 0.00 0.00 -1.54 0.00 0.00 41.25 37.89 3knf s ASN 67 CO 0.28 -0.12 0.00 0.47 -3.04 0.00 0.00 177.10 174.69 3knf n ASP 68 N 2.15 0.00 0.01 -4.21 10.43 -1.26 -3.12 116.55 120.54 3knf n ASP 68 Ca 0.19 0.00 -0.05 0.00 2.57 0.00 0.00 54.79 57.49 3knf n ASP 68 Cb 0.35 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.28 3knf n ASP 68 CO 0.00 0.00 0.00 0.78 -1.07 0.00 0.00 177.20 176.91 3knf h ASN 69 N 0.00 -0.59 -1.83 -2.24 2.35 -2.04 -3.42 115.58 107.81 3knf h ASN 69 Ca 0.00 0.07 -0.64 0.00 -0.55 0.00 0.00 56.30 55.18 3knf h ASN 69 Cb 0.00 0.23 0.10 0.00 0.05 0.00 0.00 38.32 38.70 3knf h ASN 69 CO 0.00 -0.18 -0.07 0.29 -1.65 0.00 0.00 177.43 175.83 3knf n LYS 70 N -3.55 0.81 -4.60 0.81 4.76 -1.18 -4.96 118.16 110.25 3knf n LYS 70 Ca -0.02 0.29 -0.34 0.00 -2.87 0.00 0.00 58.31 55.36 3knf n LYS 70 Cb 0.14 -1.56 -0.11 0.00 -1.84 0.00 0.00 35.03 31.65 3knf n LYS 70 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3knf s THR 71 N -0.84 3.76 -1.27 -0.18 -4.23 -1.26 -2.50 115.64 109.12 3knf s THR 71 Ca 0.64 -0.46 -0.04 0.00 -1.18 0.00 0.00 61.69 60.66 3knf s THR 71 Cb -0.83 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 70.47 3knf s THR 71 CO 0.57 0.59 1.07 0.79 -0.54 0.00 0.00 174.62 177.11 3knf n TRP 72 N 2.29 -2.47 -0.06 3.99 5.03 -1.08 -4.94 117.44 120.19 3knf n TRP 72 Ca -0.18 0.97 -0.13 0.00 3.03 0.00 0.00 57.50 61.20 3knf n TRP 72 Cb 0.53 -5.06 -0.14 0.00 -1.03 0.00 0.00 31.31 25.60 3knf n TRP 72 CO 0.00 0.00 0.00 -3.47 -0.03 0.00 0.00 177.69 174.19 3knf n ASP 73 N -3.08 0.95 -4.62 -0.99 2.03 0.14 -4.78 116.55 106.20 3knf n ASP 73 Ca -0.17 0.16 -0.32 0.00 0.52 0.00 0.00 54.79 54.98 3knf n ASP 73 Cb 0.63 0.11 -0.10 0.00 -0.72 0.00 0.00 41.12 41.04 3knf n ASP 73 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3knf s LYS 74 N -2.54 2.56 0.54 -0.67 -0.14 -0.60 -4.97 119.74 113.93 3knf s LYS 74 Ca -0.14 -0.74 0.07 0.00 -1.36 0.00 0.00 55.97 53.80 3knf s LYS 74 Cb 0.07 -2.53 0.07 0.00 -1.68 0.00 0.00 37.83 33.76 3knf s LYS 74 CO 0.78 0.59 0.54 0.27 -0.76 0.00 0.00 175.35 176.78 3knf n ASN 75 N 1.33 2.46 -0.02 2.83 0.23 -1.26 -1.56 115.26 119.28 3knf n ASN 75 Ca -0.14 -2.71 0.03 0.00 -0.53 0.00 0.00 54.58 51.23 3knf n ASN 75 Cb 0.52 -0.18 0.39 0.00 -2.08 0.00 0.00 39.78 38.43 3knf n ASN 75 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 3knf h VAL 76 N 0.45 1.13 0.12 3.53 3.04 -1.77 -2.67 116.25 120.07 3knf h VAL 76 Ca -0.31 -0.29 -0.21 0.00 -1.01 0.00 0.00 66.70 64.88 3knf h VAL 76 Cb 1.23 0.53 0.02 0.00 -2.01 0.00 0.00 31.29 31.06 3knf h VAL 76 CO 0.47 0.13 -0.89 0.11 -1.01 0.00 0.00 177.57 176.38 3knf h LYS 77 N 0.59 0.40 0.00 4.17 1.57 -1.87 -0.54 116.57 120.89 3knf h LYS 77 Ca 0.15 -0.58 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3knf h LYS 77 Cb -0.01 0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3knf h LYS 77 CO -0.03 1.25 0.12 -0.25 -0.57 0.00 0.00 179.45 179.97 3knf n ASP 78 N -4.06 0.00 0.00 0.86 8.00 -1.01 0.57 116.55 120.91 3knf n ASP 78 Ca -0.13 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.48 3knf n ASP 78 Cb 0.84 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.82 3knf n ASP 78 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3knf n LEU 79 N -0.98 0.13 -0.66 0.64 4.77 -1.19 -4.85 117.00 114.87 3knf n LEU 79 Ca 0.00 -0.29 -0.07 0.00 -0.03 0.00 0.00 56.01 55.62 3knf n LEU 79 Cb 0.12 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 3knf n LEU 79 CO 0.00 0.03 -0.08 -3.20 -1.33 0.00 0.00 177.39 172.81 3knf n ASN 80 N -0.31 -3.56 -4.57 -1.43 4.05 0.19 -5.02 115.26 104.61 3knf n ASN 80 Ca 0.00 0.13 -0.29 0.00 0.45 0.00 0.00 54.58 54.87 3knf n ASN 80 Cb 0.04 -2.07 0.15 0.00 1.23 0.00 0.00 39.78 39.14 3knf n ASN 80 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 3knf s TYR 81 N -2.31 2.14 0.26 1.20 2.02 -0.23 -5.02 117.35 115.41 3knf s TYR 81 Ca 0.00 0.72 0.06 0.00 -0.37 0.00 0.00 57.07 57.48 3knf s TYR 81 Cb 0.00 -3.51 -0.03 0.00 -0.40 0.00 0.00 41.96 38.02 3knf s TYR 81 CO 0.00 -2.57 0.31 -1.21 -1.57 0.00 0.00 175.55 170.50 3knf s GLU 82 N -5.40 3.18 -0.20 -0.62 2.02 -1.10 -4.80 118.70 111.79 3knf s GLU 82 Ca 0.66 -0.92 0.01 0.00 0.02 0.00 0.00 54.97 54.74 3knf s GLU 82 Cb -0.12 -2.74 0.04 0.00 0.10 0.00 0.00 34.13 31.41 3knf s GLU 82 CO 0.53 0.37 -0.10 -0.51 0.02 0.00 0.00 175.26 175.57 3knf s LEU 83 N -3.95 2.31 -0.09 1.80 1.02 -0.77 -1.74 118.68 117.27 3knf s LEU 83 Ca 0.35 -0.90 -0.11 0.00 0.02 0.00 0.00 54.13 53.49 3knf s LEU 83 Cb -0.08 -1.25 -0.05 0.00 0.02 0.00 0.00 46.19 44.83 3knf s LEU 83 CO 0.28 -0.14 0.27 -0.22 0.02 0.00 0.00 176.35 176.55 3knf s LEU 84 N 1.39 4.39 -0.06 1.79 2.96 -0.30 -1.58 118.68 127.27 3knf s LEU 84 Ca -0.01 0.65 -0.01 0.00 -0.22 0.00 0.00 54.13 54.54 3knf s LEU 84 Cb -0.16 -2.32 0.03 0.00 0.50 0.00 0.00 46.19 44.24 3knf s LEU 84 CO -0.08 0.31 0.01 -0.63 -1.32 0.00 0.00 176.35 174.63 3knf s ILE 85 N -0.70 0.28 -0.04 6.68 1.01 -1.10 -0.38 121.20 126.96 3knf s ILE 85 Ca 0.18 0.14 0.05 0.00 0.00 0.00 0.00 60.65 61.02 3knf s ILE 85 Cb -0.14 -0.43 -0.01 0.00 0.01 0.00 0.00 42.46 41.89 3knf s ILE 85 CO 0.07 0.22 -0.20 -0.69 0.00 0.00 0.00 174.94 174.34 3knf s VAL 86 N 1.73 1.65 0.16 2.92 1.01 -0.35 -3.14 120.40 124.38 3knf s VAL 86 Ca 0.01 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 3knf s VAL 86 Cb -0.13 -1.40 -0.07 0.00 0.00 0.00 0.00 36.38 34.78 3knf s VAL 86 CO -0.04 0.47 1.01 -0.55 0.00 0.00 0.00 175.10 175.99 3knf s SER 87 N -0.14 7.44 -0.37 3.32 0.15 -1.25 -0.71 113.70 122.14 3knf s SER 87 Ca -0.01 1.94 0.02 0.00 0.70 0.00 0.00 55.95 58.59 3knf s SER 87 Cb -0.11 -2.60 0.15 0.00 -1.71 0.00 0.00 66.02 61.75 3knf s SER 87 CO 0.02 -0.08 0.27 -1.58 1.20 0.00 0.00 173.24 173.06 3knf s GLN 88 N -0.37 0.66 0.53 5.44 2.00 0.20 -4.85 119.66 123.28 3knf s GLN 88 Ca 0.47 -1.51 0.32 0.00 -2.00 0.00 0.00 55.36 52.64 3knf s GLN 88 Cb -0.26 -1.26 1.33 0.00 0.80 0.00 0.00 33.01 33.62 3knf s GLN 88 CO 0.32 -1.26 1.98 0.27 -0.50 0.00 0.00 175.29 176.10 3knf h PHE 89 N 6.59 0.00 0.00 1.67 -5.15 -1.95 -2.16 116.94 115.94 3knf h PHE 89 Ca 0.12 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.89 3knf h PHE 89 Cb 0.96 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.13 3knf h PHE 89 CO 0.37 0.05 0.00 0.25 -2.00 0.00 0.00 178.31 176.98 3knf n THR 90 N -3.18 0.95 0.27 0.88 -2.24 -1.26 -0.38 114.28 109.33 3knf n THR 90 Ca 0.00 0.24 0.14 0.00 -2.27 0.00 0.00 64.05 62.16 3knf n THR 90 Cb 0.32 -1.03 0.66 0.00 -2.10 0.00 0.00 70.33 68.18 3knf n THR 90 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3knf h LEU 91 N 0.00 0.00 -3.10 3.22 3.38 -1.79 -2.83 115.31 114.18 3knf h LEU 91 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3knf h LEU 91 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3knf h LEU 91 CO 0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02 3knf n PHE 92 N -2.47 1.28 -2.26 1.13 3.72 0.49 -4.95 117.46 114.40 3knf n PHE 92 Ca -0.00 -0.62 -0.42 0.00 -0.05 0.00 0.00 57.45 56.35 3knf n PHE 92 Cb 0.13 -0.21 -0.03 0.00 -0.94 0.00 0.00 39.48 38.43 3knf n PHE 92 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3knf s GLY 93 N -1.04 1.75 0.41 1.37 0.00 -1.07 -4.46 107.32 104.27 3knf s GLY 93 Ca 0.47 0.74 -0.23 0.00 0.00 0.00 0.00 44.72 45.70 3knf s GLY 93 CO 0.22 2.59 1.02 0.21 0.00 0.00 0.00 173.10 177.14 3knf s ASN 94 N 2.19 6.78 0.00 1.64 3.84 -0.04 -4.80 114.94 124.55 3knf s ASN 94 Ca 0.62 1.93 0.00 0.00 0.21 0.00 0.00 52.86 55.63 3knf s ASN 94 Cb -0.28 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 37.85 3knf s ASN 94 CO 0.23 -0.47 0.59 0.35 -2.79 0.00 0.00 177.10 175.01 3knf n THR 95 N -0.25 0.34 -0.22 -5.21 -2.24 -1.26 -2.40 114.28 103.04 3knf n THR 95 Ca 0.06 -0.48 -0.07 0.00 -2.27 0.00 0.00 64.05 61.28 3knf n THR 95 Cb 0.51 1.00 0.03 0.00 -2.10 0.00 0.00 70.33 69.77 3knf n THR 95 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3knf h LYS 96 N 0.00 0.93 -6.64 -0.78 1.57 -1.94 -3.44 116.57 106.28 3knf h LYS 96 Ca 0.00 -0.18 -0.68 0.00 -1.87 0.00 0.00 60.65 57.92 3knf h LYS 96 Cb 0.47 -0.15 -0.21 0.00 0.08 0.00 0.00 32.23 32.43 3knf h LYS 96 CO 0.00 0.80 -0.80 0.21 -0.57 0.00 0.00 179.45 179.09 3knf s LYS 97 N -5.51 1.95 2.65 3.15 2.20 -1.26 -5.05 119.74 117.86 3knf s LYS 97 Ca -0.13 -1.07 0.00 0.00 -0.36 0.00 0.00 55.97 54.42 3knf s LYS 97 Cb 0.13 -2.15 0.00 0.00 -1.51 0.00 0.00 37.83 34.30 3knf s LYS 97 CO 0.80 0.51 0.00 0.41 -0.36 0.00 0.00 175.35 176.72 3knf n GLY 98 N 1.24 0.54 0.00 5.54 0.00 -1.26 -4.40 105.19 106.84 3knf n GLY 98 Ca -0.16 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.00 3knf n GLY 98 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3knf n ASN 99 N -3.05 0.56 -4.68 1.61 3.02 -1.26 -4.98 115.26 106.49 3knf n ASN 99 Ca 0.00 -0.88 -0.41 0.00 -0.03 0.00 0.00 54.58 53.26 3knf n ASN 99 Cb 0.00 0.12 -0.05 0.00 -0.61 0.00 0.00 39.78 39.25 3knf n ASN 99 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3knf s LYS 100 N -0.12 4.31 0.12 3.52 2.20 -1.26 -5.02 119.74 123.49 3knf s LYS 100 Ca 0.00 0.90 -0.30 0.00 -0.36 0.00 0.00 55.97 56.21 3knf s LYS 100 Cb 0.00 -3.55 -0.06 0.00 -1.51 0.00 0.00 37.83 32.71 3knf s LYS 100 CO 0.00 -0.22 1.02 -2.14 -0.36 0.00 0.00 175.35 173.66 3knf s PRO 101 N 1.78 4.64 -0.42 4.03 0.02 -1.26 -4.89 135.00 138.91 3knf s PRO 101 Ca 0.36 1.56 -0.15 0.00 0.02 0.00 0.00 61.00 62.79 3knf s PRO 101 Cb -0.17 -3.35 0.03 0.00 0.02 0.00 0.00 34.50 31.03 3knf s PRO 101 CO 0.13 0.12 0.31 0.34 -0.33 0.00 0.00 177.00 177.57 3knf s ASP 102 N 0.12 6.12 -0.37 2.53 2.15 -1.01 -4.78 116.67 121.42 3knf s ASP 102 Ca 0.49 -0.94 0.08 0.00 0.43 0.00 0.00 52.55 52.60 3knf s ASP 102 Cb -0.25 -2.16 0.69 0.00 -0.30 0.00 0.00 42.92 40.89 3knf s ASP 102 CO 0.31 -0.47 1.81 0.49 -0.17 0.00 0.00 175.17 177.14 3knf n PHE 103 N 5.18 2.54 0.23 -5.34 3.72 -1.26 -0.86 117.46 121.67 3knf n PHE 103 Ca -0.11 -1.49 0.01 0.00 -0.05 0.00 0.00 57.45 55.81 3knf n PHE 103 Cb 0.47 -0.77 0.07 0.00 -0.94 0.00 0.00 39.48 38.31 3knf n PHE 103 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3knf h HIS 104 N 1.82 0.00 -0.01 1.38 3.86 -1.92 -2.45 115.15 117.82 3knf h HIS 104 Ca 0.41 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.62 3knf h HIS 104 Cb 2.47 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.94 3knf h HIS 104 CO 1.37 0.00 -0.39 1.28 0.86 0.00 0.00 177.93 181.05 3knf n LEU 105 N -2.11 1.93 -4.78 2.43 4.77 -1.26 -4.98 117.00 113.00 3knf n LEU 105 Ca -0.00 -0.78 -0.37 0.00 -0.03 0.00 0.00 56.01 54.83 3knf n LEU 105 Cb 0.79 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.84 3knf n LEU 105 CO 0.01 0.36 0.73 0.00 -1.33 0.00 0.00 177.39 177.16 3knf s ALA 106 N -2.21 3.14 0.21 -1.18 0.00 -0.93 -1.59 121.76 119.21 3knf s ALA 106 Ca 0.17 0.69 -0.30 0.00 0.00 0.00 0.00 51.96 52.52 3knf s ALA 106 Cb 0.16 -3.26 -0.10 0.00 0.00 0.00 0.00 23.12 19.92 3knf s ALA 106 CO 0.49 -0.14 1.44 0.21 0.00 0.00 0.00 175.76 177.76 3knf s LYS 107 N -2.31 4.28 0.53 0.00 2.20 -0.77 -4.49 119.74 119.18 3knf s LYS 107 Ca 0.55 2.25 -0.21 0.00 -0.36 0.00 0.00 55.97 58.20 3knf s LYS 107 Cb -0.22 -3.15 -0.05 0.00 -1.51 0.00 0.00 37.83 32.89 3knf s LYS 107 CO 0.28 -0.43 1.23 -1.83 -0.36 0.00 0.00 175.35 174.24 3knf s GLU 108 N 0.14 3.34 0.00 4.03 -1.05 -1.26 -4.63 118.70 119.27 3knf s GLU 108 Ca 0.62 1.91 0.00 0.00 -0.15 0.00 0.00 54.97 57.35 3knf s GLU 108 Cb -0.41 -2.20 0.00 0.00 -0.44 0.00 0.00 34.13 31.08 3knf s GLU 108 CO 0.39 -0.93 0.16 -2.30 0.95 0.00 0.00 175.26 173.52 3knf n PRO 109 N -1.00 0.00 0.02 -4.83 -0.02 -1.26 -0.72 135.00 127.19 3knf n PRO 109 Ca 0.10 0.16 -0.15 0.00 -2.02 0.00 0.00 63.50 61.59 3knf n PRO 109 Cb 0.48 -0.28 -0.09 0.00 -0.02 0.00 0.00 33.50 33.58 3knf n PRO 109 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3knf h ASN 110 N 0.00 -1.60 -0.91 2.55 2.35 -1.98 1.83 115.58 117.81 3knf h ASN 110 Ca 0.00 0.18 0.24 0.00 -0.55 0.00 0.00 56.30 56.17 3knf h ASN 110 Cb 0.00 0.62 -0.13 0.00 0.05 0.00 0.00 38.32 38.85 3knf h ASN 110 CO 0.00 -0.48 0.39 -0.33 -1.65 0.00 0.00 177.43 175.36 3knf h GLU 111 N -0.60 0.35 0.02 0.81 5.08 -1.72 -2.34 114.58 116.18 3knf h GLU 111 Ca 0.02 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3knf h GLU 111 Cb 0.67 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3knf h GLU 111 CO -0.37 0.23 -0.15 0.00 -1.00 0.00 0.00 179.01 177.72 3knf h ALA 112 N 1.75 -0.00 -0.70 3.43 0.00 0.84 -2.98 119.26 121.58 3knf h ALA 112 Ca 0.59 -0.49 0.27 0.00 0.00 0.00 0.00 54.91 55.27 3knf h ALA 112 Cb 1.16 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.84 3knf h ALA 112 CO -0.56 0.04 0.29 -0.11 0.00 0.00 0.00 179.25 178.90 3knf n LEU 113 N -4.55 0.16 0.03 0.00 7.94 0.61 0.99 117.00 122.19 3knf n LEU 113 Ca -0.10 1.17 0.11 0.00 -1.11 0.00 0.00 56.01 56.08 3knf n LEU 113 Cb 0.50 -0.54 -0.09 0.00 0.53 0.00 0.00 43.42 43.83 3knf n LEU 113 CO 0.37 -1.28 -0.41 0.00 -1.11 0.00 0.00 177.39 174.96 3knf n ILE 114 N -4.68 0.24 0.17 1.96 0.13 -1.17 -2.83 119.36 113.19 3knf n ILE 114 Ca 0.24 -0.49 0.02 0.00 -1.10 0.00 0.00 62.75 61.43 3knf n ILE 114 Cb 0.82 -0.09 0.30 0.00 -0.84 0.00 0.00 39.64 39.83 3knf n ILE 114 CO 0.00 0.00 0.00 0.15 2.80 0.00 0.00 176.55 179.50 3knf h PHE 115 N 0.00 0.00 0.32 9.51 3.57 0.80 -1.65 116.94 129.49 3knf h PHE 115 Ca 0.00 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 3knf h PHE 115 Cb 0.97 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.71 3knf h PHE 115 CO 0.00 0.45 -0.16 -0.92 -2.23 0.00 0.00 178.31 175.45 3knf h TYR 116 N 0.00 -0.40 -0.96 0.41 3.20 -0.24 -2.09 116.97 116.89 3knf h TYR 116 Ca -0.00 -0.01 0.28 0.00 3.14 0.00 0.00 58.73 62.14 3knf h TYR 116 Cb 0.86 0.13 -0.04 0.00 1.54 0.00 0.00 36.73 39.23 3knf h TYR 116 CO 0.00 -0.25 0.70 -0.91 -1.64 0.00 0.00 178.16 176.05 3knf h ASN 117 N -0.85 0.00 -0.43 -2.11 2.35 -1.59 1.01 115.58 113.96 3knf h ASN 117 Ca -0.04 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.62 3knf h ASN 117 Cb 0.33 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 3knf h ASN 117 CO 0.07 0.00 -0.06 0.11 -1.65 0.00 0.00 177.43 175.90 3knf h LYS 118 N 0.00 0.80 -0.16 0.81 6.56 -1.27 -3.05 116.57 120.26 3knf h LYS 118 Ca 0.46 -0.29 -0.02 0.00 -1.06 0.00 0.00 60.65 59.74 3knf h LYS 118 Cb 1.84 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 33.44 3knf h LYS 118 CO -0.00 0.90 0.02 0.82 -2.06 0.00 0.00 179.45 179.13 3knf h ILE 119 N 0.63 1.23 -1.06 1.86 1.08 0.17 -2.52 117.51 118.89 3knf h ILE 119 Ca 0.11 -0.73 0.33 0.00 -0.39 0.00 0.00 64.86 64.18 3knf h ILE 119 Cb 0.58 1.40 -0.14 0.00 -3.07 0.00 0.00 36.82 35.59 3knf h ILE 119 CO 0.03 0.22 0.64 0.40 -0.69 0.00 0.00 178.15 178.75 3knf h ILE 120 N 0.05 0.31 0.75 -0.67 2.04 -0.90 -0.15 117.51 118.95 3knf h ILE 120 Ca 0.05 -0.10 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 3knf h ILE 120 Cb 0.32 -0.02 0.01 0.00 -0.74 0.00 0.00 36.82 36.38 3knf h ILE 120 CO 0.00 0.06 -0.36 0.44 0.00 0.00 0.00 178.15 178.29 3knf h ASP 121 N 0.30 -0.86 0.00 1.72 5.19 -1.34 0.06 116.42 121.50 3knf h ASP 121 Ca 0.73 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 57.17 3knf h ASP 121 Cb 1.79 0.22 0.00 0.00 0.18 0.00 0.00 39.33 41.52 3knf h ASP 121 CO -0.52 -0.51 0.26 -0.08 -3.12 0.00 0.00 179.24 175.27 3knf h GLU 122 N -1.22 0.00 0.16 3.56 4.57 -1.30 0.60 114.58 120.94 3knf h GLU 122 Ca -0.10 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 3knf h GLU 122 Cb 0.78 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 3knf h GLU 122 CO 0.17 0.00 -0.07 0.74 -1.18 0.00 0.00 179.01 178.67 3knf h PHE 123 N 0.00 -0.19 -0.37 0.92 0.04 -0.25 -2.73 116.94 114.36 3knf h PHE 123 Ca 0.00 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.78 3knf h PHE 123 Cb 0.51 0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.71 3knf h PHE 123 CO 0.00 0.16 0.23 0.87 -0.60 0.00 0.00 178.31 178.97 3knf h LYS 124 N -0.97 0.45 -0.82 1.51 1.57 0.11 -2.64 116.57 115.78 3knf h LYS 124 Ca -0.02 -0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.84 3knf h LYS 124 Cb 0.44 -0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.57 3knf h LYS 124 CO 0.03 0.30 0.44 -0.22 -0.57 0.00 0.00 179.45 179.43 3knf h LYS 125 N 0.46 0.69 0.00 3.15 3.64 -0.05 0.76 116.57 125.22 3knf h LYS 125 Ca 0.14 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3knf h LYS 125 Cb -0.02 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 3knf h LYS 125 CO -0.06 0.46 -0.33 1.04 -2.27 0.00 0.00 179.45 178.29 3knf n GLN 126 N -4.80 0.01 0.00 1.90 6.02 -1.03 -4.78 117.38 114.71 3knf n GLN 126 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 3knf n GLN 126 Cb 0.32 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 30.08 3knf n GLN 126 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3knf n TYR 127 N -1.52 0.00 -3.57 1.08 9.36 -0.86 -5.09 117.16 116.56 3knf n TYR 127 Ca 0.06 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.29 3knf n TYR 127 Cb 0.34 0.44 -0.06 0.00 -0.63 0.00 0.00 39.34 39.43 3knf n TYR 127 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3knf s ASN 128 N -3.63 -0.19 0.31 2.98 3.84 0.21 -5.01 114.94 113.44 3knf s ASN 128 Ca 0.00 0.29 0.07 0.00 0.21 0.00 0.00 52.86 53.43 3knf s ASN 128 Cb 0.00 1.11 0.76 0.00 -0.55 0.00 0.00 41.25 42.57 3knf s ASN 128 CO 0.00 -0.04 1.78 -0.78 -2.79 0.00 0.00 177.10 175.27 3knf h ASP 129 N 5.72 0.77 -0.00 -4.21 3.58 -1.91 -0.84 116.42 119.51 3knf h ASP 129 Ca -0.24 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.30 3knf h ASP 129 Cb 1.16 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.16 3knf h ASP 129 CO 0.20 0.27 -0.02 0.47 -2.88 0.00 0.00 179.24 177.28 3knf n ASP 130 N -4.75 1.75 -0.20 2.28 8.00 -1.26 -3.90 116.55 118.47 3knf n ASP 130 Ca 0.23 -1.56 0.10 0.00 0.71 0.00 0.00 54.79 54.27 3knf n ASP 130 Cb 0.58 0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.63 3knf n ASP 130 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3knf n LYS 131 N 0.34 0.92 -3.82 -1.24 4.76 -0.34 -4.88 118.16 113.90 3knf n LYS 131 Ca 0.18 -0.42 -0.36 0.00 -2.87 0.00 0.00 58.31 54.84 3knf n LYS 131 Cb 0.40 -1.42 -0.13 0.00 -1.84 0.00 0.00 35.03 32.04 3knf n LYS 131 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3knf s ILE 132 N -2.60 3.97 0.10 -0.18 -1.09 -1.12 -1.84 121.20 118.43 3knf s ILE 132 Ca 0.12 -0.29 0.07 0.00 -2.23 0.00 0.00 60.65 58.32 3knf s ILE 132 Cb 0.16 -2.84 -0.04 0.00 -1.58 0.00 0.00 42.46 38.16 3knf s ILE 132 CO 0.68 0.37 -0.12 -0.54 -1.23 0.00 0.00 174.94 174.11 3knf s LYS 133 N 1.53 2.07 0.48 2.79 3.01 -0.61 -5.00 119.74 124.00 3knf s LYS 133 Ca 0.06 -1.05 0.02 0.00 -1.01 0.00 0.00 55.97 54.00 3knf s LYS 133 Cb -0.15 -2.27 -0.02 0.00 -1.01 0.00 0.00 37.83 34.38 3knf s LYS 133 CO 0.01 0.51 0.05 0.96 0.51 0.00 0.00 175.35 177.38 3knf s ILE 134 N -1.19 0.98 0.00 2.17 -0.00 -1.26 -2.70 121.20 119.20 3knf s ILE 134 Ca 0.20 -2.00 0.00 0.00 -0.00 0.00 0.00 60.65 58.85 3knf s ILE 134 Cb -0.11 -2.24 0.00 0.00 -0.00 0.00 0.00 42.46 40.11 3knf s ILE 134 CO 0.13 0.00 0.00 0.61 -0.00 0.00 0.00 174.94 175.68 3knf n GLY 135 N -1.14 2.42 2.92 6.27 0.00 -1.19 -4.77 105.19 109.71 3knf n GLY 135 Ca -0.14 -1.89 -0.29 0.00 0.00 0.00 0.00 46.02 43.70 3knf n GLY 135 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3knf s LYS 136 N 3.67 2.52 -0.00 1.61 2.20 -1.26 -5.07 119.74 123.41 3knf s LYS 136 Ca 0.00 -3.31 -0.22 0.00 -0.36 0.00 0.00 55.97 52.08 3knf s LYS 136 Cb 0.00 -3.47 -0.11 0.00 -1.51 0.00 0.00 37.83 32.74 3knf s LYS 136 CO 0.00 -1.28 0.60 0.34 -0.36 0.00 0.00 175.35 174.66 3knf n PHE 137 N 2.06 0.36 0.00 4.03 7.35 -1.26 -1.23 117.46 128.78 3knf n PHE 137 Ca 0.19 0.59 0.00 0.00 -0.76 0.00 0.00 57.45 57.47 3knf n PHE 137 Cb 0.35 -1.17 0.00 0.00 0.35 0.00 0.00 39.48 39.01 3knf n PHE 137 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3knf n GLY 138 N 0.85 2.03 3.89 7.13 0.00 -1.26 -5.01 105.19 112.82 3knf n GLY 138 Ca 0.11 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 3knf n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3knf s ASN 139 N 0.03 5.95 0.31 1.61 0.01 -0.36 -5.03 114.94 117.45 3knf s ASN 139 Ca 0.00 1.07 -0.29 0.00 -0.71 0.00 0.00 52.86 52.93 3knf s ASN 139 Cb 0.00 -2.14 -0.10 0.00 0.41 0.00 0.00 41.25 39.42 3knf s ASN 139 CO 0.00 -0.92 1.36 -0.47 -1.51 0.00 0.00 177.10 175.56 3knf s TYR 140 N -3.05 3.01 -0.03 2.20 5.04 -1.26 -4.89 117.35 118.37 3knf s TYR 140 Ca 0.53 1.28 0.02 0.00 -2.44 0.00 0.00 57.07 56.46 3knf s TYR 140 Cb -0.11 -3.74 0.01 0.00 0.35 0.00 0.00 41.96 38.47 3knf s TYR 140 CO 0.49 -2.17 -0.07 -1.64 -1.34 0.00 0.00 175.55 170.82 3knf s MET 141 N -1.35 0.84 -0.26 4.97 -1.94 -1.26 -4.46 119.30 115.83 3knf s MET 141 Ca 0.52 -0.23 -0.10 0.00 -1.71 0.00 0.00 55.69 54.18 3knf s MET 141 Cb -0.41 -0.80 -0.04 0.00 2.01 0.00 0.00 34.83 35.59 3knf s MET 141 CO 0.50 0.05 0.15 1.21 -0.01 0.00 0.00 175.02 176.92 3knf s ASN 142 N 0.36 5.76 -0.44 3.03 2.47 -1.05 -4.91 114.94 120.16 3knf s ASN 142 Ca -0.05 -0.04 0.03 0.00 0.42 0.00 0.00 52.86 53.21 3knf s ASN 142 Cb -0.09 -2.05 0.13 0.00 -1.45 0.00 0.00 41.25 37.78 3knf s ASN 142 CO 0.00 -0.02 0.21 -0.63 -3.72 0.00 0.00 177.10 172.94 3knf s ILE 143 N 1.55 1.85 -0.03 -5.21 1.09 -1.26 0.13 121.20 119.32 3knf s ILE 143 Ca 0.07 -2.66 -0.30 0.00 -1.10 0.00 0.00 60.65 56.66 3knf s ILE 143 Cb -0.15 -2.31 -0.07 0.00 -1.06 0.00 0.00 42.46 38.87 3knf s ILE 143 CO 0.08 -0.80 1.90 -1.81 -0.10 0.00 0.00 174.94 174.21 3knf s ASP 144 N 0.34 6.37 0.04 3.58 1.01 -0.54 -4.88 116.67 122.60 3knf s ASP 144 Ca 0.16 2.41 0.07 0.00 0.71 0.00 0.00 52.55 55.90 3knf s ASP 144 Cb -0.24 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.14 3knf s ASP 144 CO -0.03 -1.15 -0.19 -0.69 0.21 0.00 0.00 175.17 173.32 3knf s VAL 145 N 4.87 1.49 -0.34 -1.27 1.01 -1.26 -0.41 120.40 124.49 3knf s VAL 145 Ca 0.85 -1.14 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 3knf s VAL 145 Cb -0.38 -1.31 0.07 0.00 0.00 0.00 0.00 36.38 34.76 3knf s VAL 145 CO 0.37 0.14 0.07 -0.89 0.00 0.00 0.00 175.10 174.79 3knf s THR 146 N -0.82 3.04 0.07 3.92 2.01 -1.22 -5.00 115.64 117.63 3knf s THR 146 Ca 0.06 -1.66 -0.30 0.00 0.31 0.00 0.00 61.69 60.09 3knf s THR 146 Cb -0.08 -2.89 -0.05 0.00 0.01 0.00 0.00 72.50 69.49 3knf s THR 146 CO 0.02 -0.33 1.01 0.20 -0.69 0.00 0.00 174.62 174.83 3knf s ASN 147 N 1.40 7.37 -0.39 3.53 0.01 -1.26 -1.91 114.94 123.70 3knf s ASN 147 Ca 0.00 1.80 -0.13 0.00 -0.71 0.00 0.00 52.86 53.83 3knf s ASN 147 Cb -0.21 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 38.90 3knf s ASN 147 CO -0.03 -0.21 0.24 -0.62 -1.51 0.00 0.00 177.10 174.98 3knf s ASP 148 N 0.53 5.88 0.00 -1.22 2.15 0.37 -4.47 116.67 119.92 3knf s ASP 148 Ca 0.51 -0.95 0.00 0.00 0.43 0.00 0.00 52.55 52.53 3knf s ASP 148 Cb -0.24 -2.08 0.00 0.00 -0.30 0.00 0.00 42.92 40.30 3knf s ASP 148 CO 0.30 -0.41 0.00 0.61 -0.17 0.00 0.00 175.17 175.50 3knf n GLY 149 N 5.06 2.26 3.87 2.66 0.00 -1.26 -2.05 105.19 115.73 3knf n GLY 149 Ca -0.11 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 3knf n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3knf s PRO 150 N 0.00 2.26 -0.26 1.61 0.04 -1.26 -5.16 135.00 132.23 3knf s PRO 150 Ca 0.00 0.33 -0.01 0.00 0.04 0.00 0.00 61.00 61.36 3knf s PRO 150 Cb 0.00 -1.96 0.08 0.00 0.04 0.00 0.00 34.50 32.65 3knf s PRO 150 CO 0.00 -1.43 0.04 0.08 0.04 0.00 0.00 177.00 175.73 3knf s VAL 151 N -3.41 1.02 -0.24 -0.36 1.01 -0.87 -4.98 120.40 112.58 3knf s VAL 151 Ca 0.60 -1.18 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 3knf s VAL 151 Cb -0.12 -1.59 0.03 0.00 0.00 0.00 0.00 36.38 34.70 3knf s VAL 151 CO 0.51 -0.40 -0.09 -0.89 0.00 0.00 0.00 175.10 174.23 3knf s THR 152 N 1.59 2.71 0.15 3.92 2.01 -1.26 -0.35 115.64 124.42 3knf s THR 152 Ca 0.03 -1.02 0.04 0.00 0.31 0.00 0.00 61.69 61.04 3knf s THR 152 Cb -0.18 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.95 3knf s THR 152 CO -0.15 0.25 0.20 -0.63 -0.69 0.00 0.00 174.62 173.61 3knf s ILE 153 N 1.31 4.88 -0.05 1.82 1.09 0.36 -4.95 121.20 125.67 3knf s ILE 153 Ca 0.01 -0.89 -0.01 0.00 -1.10 0.00 0.00 60.65 58.66 3knf s ILE 153 Cb -0.16 -3.50 0.03 0.00 -1.06 0.00 0.00 42.46 37.77 3knf s ILE 153 CO -0.06 -0.09 0.03 -0.47 -0.10 0.00 0.00 174.94 174.25 3knf s TYR 154 N -1.74 0.30 0.03 3.97 5.04 -1.26 -1.20 117.35 122.49 3knf s TYR 154 Ca 0.33 0.07 0.09 0.00 -2.44 0.00 0.00 57.07 55.11 3knf s TYR 154 Cb -0.11 -0.57 -0.03 0.00 0.35 0.00 0.00 41.96 41.61 3knf s TYR 154 CO 0.26 -0.22 -0.26 0.42 -1.34 0.00 0.00 175.55 174.40 3knf s ILE 155 N 1.89 2.08 0.02 3.14 1.01 -0.28 -5.00 121.20 124.07 3knf s ILE 155 Ca 0.02 -1.29 0.08 0.00 0.00 0.00 0.00 60.65 59.45 3knf s ILE 155 Cb -0.12 -1.77 -0.02 0.00 0.01 0.00 0.00 42.46 40.56 3knf s ILE 155 CO -0.04 0.42 -0.23 -0.62 0.00 0.00 0.00 174.94 174.47 3knf s ASP 156 N -1.05 2.72 -0.08 3.58 -1.08 -1.26 -0.73 116.67 118.78 3knf s ASP 156 Ca 0.11 -0.49 0.11 0.00 -0.52 0.00 0.00 52.55 51.76 3knf s ASP 156 Cb -0.10 -0.26 -0.24 0.00 -1.46 0.00 0.00 42.92 40.86 3knf s ASP 156 CO 0.01 0.23 0.53 0.35 0.52 0.00 0.00 175.17 176.81 3knf n THR 157 N 2.10 1.60 0.22 1.71 -2.24 -0.15 -3.99 114.28 113.52 3knf n THR 157 Ca -0.16 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.83 3knf n THR 157 Cb 0.52 -1.04 0.00 0.00 -2.10 0.00 0.00 70.33 67.72 3knf n THR 157 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3knf n HIS 158 N -3.05 0.00 -0.26 4.78 8.25 -1.26 0.11 115.22 123.79 3knf n HIS 158 Ca -0.21 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.29 3knf n HIS 158 Cb 1.07 -0.01 0.11 0.00 1.12 0.00 0.00 29.99 32.28 3knf n HIS 158 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3knf n ASP 159 N 0.05 2.66 -4.18 0.41 8.00 -1.26 -5.05 116.55 117.18 3knf n ASP 159 Ca 0.00 -2.18 -0.11 0.00 0.71 0.00 0.00 54.79 53.22 3knf n ASP 159 Cb 0.02 -0.20 -0.10 0.00 -0.02 0.00 0.00 41.12 40.83 3knf n ASP 159 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3knf s ILE 160 N -1.31 0.37 -2.95 0.53 1.01 0.31 -5.13 121.20 114.04 3knf s ILE 160 Ca 0.18 -1.92 0.24 0.00 0.00 0.00 0.00 60.65 59.14 3knf s ILE 160 Cb 0.11 -1.97 0.19 0.00 0.01 0.00 0.00 42.46 40.79 3knf s ILE 160 CO 0.09 -0.57 1.25 0.59 0.00 0.00 0.00 174.94 176.29