#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knt h ILE 4 N 0.00 0.56 -0.79 1.96 1.08 -2.00 0.27 117.51 118.59 3knt h ILE 4 Ca 0.00 -0.09 -0.04 0.00 -0.39 0.00 0.00 64.86 64.34 3knt h ILE 4 Cb 0.00 0.29 -0.03 0.00 -3.07 0.00 0.00 36.82 34.00 3knt h ILE 4 CO 0.00 0.05 0.32 0.50 -0.69 0.00 0.00 178.15 178.33 3knt h LYS 5 N 0.25 1.17 -0.44 2.37 1.63 -2.03 -2.36 116.57 117.17 3knt h LYS 5 Ca 0.51 -0.21 -0.03 0.00 -0.85 0.00 0.00 60.65 60.08 3knt h LYS 5 Cb 1.56 -0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 32.98 3knt h LYS 5 CO -0.15 0.95 0.17 0.87 -3.45 0.00 0.00 179.45 177.83 3knt h LYS 6 N 1.14 0.66 -0.88 1.90 1.57 -0.91 -2.45 116.57 117.60 3knt h LYS 6 Ca 0.26 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3knt h LYS 6 Cb 0.21 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 3knt h LYS 6 CO -0.02 0.61 0.53 0.82 -0.57 0.00 0.00 179.45 180.82 3knt h ILE 7 N 0.56 1.24 -0.84 1.86 2.04 -1.25 -1.52 117.51 119.61 3knt h ILE 7 Ca 0.15 -0.52 0.01 0.00 1.00 0.00 0.00 64.86 65.50 3knt h ILE 7 Cb 0.20 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.24 3knt h ILE 7 CO -0.01 0.25 0.56 -0.33 0.00 0.00 0.00 178.15 178.62 3knt h GLU 8 N 1.21 1.10 -0.26 2.37 4.39 -1.27 0.33 114.58 122.45 3knt h GLU 8 Ca 0.32 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.94 3knt h GLU 8 Cb -0.06 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.33 3knt h GLU 8 CO -0.06 0.73 0.10 0.93 -1.16 0.00 0.00 179.01 179.55 3knt h GLU 9 N 1.13 0.35 -0.11 2.33 5.08 -0.85 -2.51 114.58 120.01 3knt h GLU 9 Ca 0.31 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.47 3knt h GLU 9 Cb -0.11 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.07 3knt h GLU 9 CO -0.07 0.30 -0.57 -0.07 -1.00 0.00 0.00 179.01 177.59 3knt h LEU 10 N 0.36 0.69 -0.82 1.33 3.38 -0.23 -2.82 115.31 117.20 3knt h LEU 10 Ca 0.09 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.41 3knt h LEU 10 Cb 0.08 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3knt h LEU 10 CO -0.01 1.23 0.00 0.29 0.09 0.00 0.00 178.44 180.04 3knt n LYS 11 N -4.16 0.11 0.05 1.13 5.02 -0.03 -2.00 118.16 118.28 3knt n LYS 11 Ca -0.08 0.52 -0.22 0.00 -2.02 0.00 0.00 58.31 56.50 3knt n LYS 11 Cb 0.64 -1.80 -0.14 0.00 -0.02 0.00 0.00 35.03 33.70 3knt n LYS 11 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3knt h ASN 12 N 0.00 0.53 -3.75 4.39 4.21 -1.27 -3.44 115.58 116.25 3knt h ASN 12 Ca 0.00 -0.93 -0.43 0.00 1.21 0.00 0.00 56.30 56.15 3knt h ASN 12 Cb 0.12 -0.17 0.17 0.00 -1.12 0.00 0.00 38.32 37.32 3knt h ASN 12 CO 0.00 1.78 0.20 -0.94 -1.29 0.00 0.00 177.43 177.18 3knt s SER 13 N -7.20 1.92 0.63 5.81 1.04 -0.85 -4.88 113.70 110.18 3knt s SER 13 Ca -0.18 0.77 0.36 0.00 0.48 0.00 0.00 55.95 57.38 3knt s SER 13 Cb 0.05 -1.15 2.06 0.00 0.10 0.00 0.00 66.02 67.08 3knt s SER 13 CO 0.82 -3.52 2.26 -0.33 0.98 0.00 0.00 173.24 173.45 3knt h GLU 14 N -2.17 0.00 -0.88 4.02 4.39 -1.94 -2.02 114.58 115.99 3knt h GLU 14 Ca -0.48 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.33 3knt h GLU 14 Cb 1.30 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.89 3knt h GLU 14 CO 0.45 0.00 0.57 0.82 -1.16 0.00 0.00 179.01 179.68 3knt h ILE 15 N 0.00 0.93 -0.81 3.13 1.08 -1.90 -1.40 117.51 118.53 3knt h ILE 15 Ca 0.01 -0.28 0.06 0.00 -0.39 0.00 0.00 64.86 64.26 3knt h ILE 15 Cb 0.13 0.04 -0.05 0.00 -3.07 0.00 0.00 36.82 33.87 3knt h ILE 15 CO -0.00 0.15 0.53 0.50 -0.69 0.00 0.00 178.15 178.64 3knt h LYS 16 N 0.82 0.87 -0.03 2.37 3.11 -1.39 1.00 116.57 123.32 3knt h LYS 16 Ca 0.42 -0.05 -0.16 0.00 -2.81 0.00 0.00 60.65 58.04 3knt h LYS 16 Cb 0.49 -0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 31.51 3knt h LYS 16 CO -0.18 0.57 -0.70 -0.44 -2.81 0.00 0.00 179.45 175.89 3knt h ASP 17 N 0.89 0.20 0.20 4.20 3.32 -1.45 -2.21 116.42 121.57 3knt h ASP 17 Ca 0.35 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 57.17 3knt h ASP 17 Cb 0.22 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3knt h ASP 17 CO -0.12 0.84 -0.34 0.40 -1.72 0.00 0.00 179.24 178.30 3knt h ILE 18 N 0.11 1.28 0.01 0.35 2.04 -0.37 -2.76 117.51 118.17 3knt h ILE 18 Ca -0.02 -1.34 -0.25 0.00 1.00 0.00 0.00 64.86 64.25 3knt h ILE 18 Cb 1.25 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 38.87 3knt h ILE 18 CO 0.10 0.40 -1.36 0.40 0.00 0.00 0.00 178.15 177.70 3knt h ILE 19 N 0.19 1.29 -0.38 -0.67 2.04 -0.95 -3.11 117.51 115.92 3knt h ILE 19 Ca 0.02 -3.06 -0.02 0.00 1.00 0.00 0.00 64.86 62.80 3knt h ILE 19 Cb 0.70 2.65 -0.02 0.00 -0.74 0.00 0.00 36.82 39.41 3knt h ILE 19 CO 0.05 0.75 0.16 0.44 0.00 0.00 0.00 178.15 179.54 3knt h ASP 20 N 0.00 0.53 1.31 1.72 3.32 -1.27 0.48 116.42 122.51 3knt h ASP 20 Ca -0.15 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.73 3knt h ASP 20 Cb 1.90 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 41.31 3knt h ASP 20 CO 0.11 0.55 -0.01 0.07 -1.72 0.00 0.00 179.24 178.24 3knt h LYS 21 N 0.48 0.00 0.24 3.56 2.10 -1.61 -2.47 116.57 118.86 3knt h LYS 21 Ca 0.13 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.45 3knt h LYS 21 Cb 0.18 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.55 3knt h LYS 21 CO -0.01 0.01 -1.49 -0.09 -2.00 0.00 0.00 179.45 175.86 3knt h ARG 22 N 0.00 0.50 -0.19 0.07 9.65 -1.37 -2.95 114.38 120.09 3knt h ARG 22 Ca -0.00 -0.86 -0.06 0.00 -1.10 0.00 0.00 59.98 57.95 3knt h ARG 22 Cb 0.66 0.32 -0.01 0.00 -1.39 0.00 0.00 29.97 29.55 3knt h ARG 22 CO 0.00 1.41 -0.17 0.82 2.80 0.00 0.00 179.97 184.83 3knt h ILE 23 N 0.10 1.21 0.00 1.20 1.08 -0.82 -1.83 117.51 118.46 3knt h ILE 23 Ca -0.27 -0.97 0.00 0.00 -0.39 0.00 0.00 64.86 63.23 3knt h ILE 23 Cb 2.13 1.26 0.00 0.00 -3.07 0.00 0.00 36.82 37.14 3knt h ILE 23 CO 0.25 0.30 0.00 0.00 -0.69 0.00 0.00 178.15 178.02 3knt n GLN 24 N -4.21 0.23 0.17 2.37 1.13 -0.94 -2.47 117.38 113.66 3knt n GLN 24 Ca -0.00 0.27 0.05 0.00 -1.94 0.00 0.00 57.00 55.38 3knt n GLN 24 Cb 0.32 -1.82 0.21 0.00 0.11 0.00 0.00 30.24 29.06 3knt n GLN 24 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 3knt h GLU 25 N 0.00 0.00 0.10 -1.09 5.08 -1.15 -3.18 114.58 114.34 3knt h GLU 25 Ca 0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 3knt h GLU 25 Cb 0.62 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.89 3knt h GLU 25 CO 0.00 0.40 -1.15 0.74 -1.00 0.00 0.00 179.01 178.01 3knt h PHE 26 N 0.00 0.95 -0.17 4.33 0.04 -1.40 -3.32 116.94 117.38 3knt h PHE 26 Ca -0.00 -0.59 0.01 0.00 2.80 0.00 0.00 57.97 60.18 3knt h PHE 26 Cb 1.11 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 39.17 3knt h PHE 26 CO 0.00 1.44 0.11 0.87 -0.60 0.00 0.00 178.31 180.13 3knt h LYS 27 N 0.20 0.20 -0.05 1.51 1.79 -1.53 -2.42 116.57 116.28 3knt h LYS 27 Ca -0.17 -0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.30 3knt h LYS 27 Cb 1.83 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 32.43 3knt h LYS 27 CO 0.22 0.13 0.29 0.66 -1.08 0.00 0.00 179.45 179.67 3knt h SER 28 N 0.21 0.00 0.36 0.86 4.64 -1.65 -0.35 113.55 117.62 3knt h SER 28 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3knt h SER 28 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3knt h SER 28 CO -0.01 0.00 0.00 -0.26 -0.87 0.00 0.00 176.83 175.69 3knt h PHE 29 N 0.00 0.00 -0.10 4.77 0.04 -1.63 -1.52 116.94 118.51 3knt h PHE 29 Ca 0.02 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.82 3knt h PHE 29 Cb 0.60 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.74 3knt h PHE 29 CO 0.00 0.00 0.27 0.87 -0.60 0.00 0.00 178.31 178.85 3knt h LYS 30 N 0.00 0.00 0.00 1.51 1.79 -1.25 -1.67 116.57 116.94 3knt h LYS 30 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3knt h LYS 30 Cb 0.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 3knt h LYS 30 CO 0.00 0.00 -0.03 0.09 -1.08 0.00 0.00 179.45 178.43 3knt n ASN 31 N -3.23 1.94 -4.96 0.86 3.02 -0.57 -5.05 115.26 107.27 3knt n ASN 31 Ca -0.00 -2.49 -0.22 0.00 -0.03 0.00 0.00 54.58 51.84 3knt n ASN 31 Cb 0.35 -0.23 0.02 0.00 -0.61 0.00 0.00 39.78 39.32 3knt n ASN 31 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3knt s LYS 32 N -1.81 2.92 0.53 3.52 1.02 -0.63 -5.10 119.74 120.19 3knt s LYS 32 Ca 0.16 -0.58 -0.02 0.00 0.02 0.00 0.00 55.97 55.54 3knt s LYS 32 Cb 0.14 -2.54 0.01 0.00 -0.52 0.00 0.00 37.83 34.91 3knt s LYS 32 CO 0.01 -0.39 0.79 -1.54 -0.92 0.00 0.00 175.35 173.31 3knt s SER 33 N -4.27 5.61 0.37 2.83 1.04 -1.26 -4.89 113.70 113.12 3knt s SER 33 Ca 0.51 0.42 0.10 0.00 0.48 0.00 0.00 55.95 57.46 3knt s SER 33 Cb -0.10 -1.49 0.86 0.00 0.10 0.00 0.00 66.02 65.39 3knt s SER 33 CO 0.38 -0.95 1.88 0.78 0.98 0.00 0.00 173.24 176.31 3knt h ASN 34 N 0.07 0.60 -0.72 7.02 2.35 -1.96 -0.44 115.58 122.51 3knt h ASN 34 Ca -0.45 0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.30 3knt h ASN 34 Cb 1.26 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 39.52 3knt h ASN 34 CO 0.58 0.30 0.33 -0.33 -1.65 0.00 0.00 177.43 176.66 3knt h GLU 35 N 0.64 1.06 0.12 0.81 3.07 -1.94 -2.57 114.58 115.77 3knt h GLU 35 Ca 0.43 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 59.12 3knt h GLU 35 Cb 0.75 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 3knt h GLU 35 CO -0.19 0.84 -0.06 0.93 -1.40 0.00 0.00 179.01 179.13 3knt h GLU 36 N 1.05 -0.15 -0.95 2.33 4.39 -1.50 -2.93 114.58 116.82 3knt h GLU 36 Ca 0.25 0.01 0.26 0.00 0.34 0.00 0.00 59.36 60.22 3knt h GLU 36 Cb 0.15 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.78 3knt h GLU 36 CO -0.03 0.33 0.66 -1.49 -1.16 0.00 0.00 179.01 177.33 3knt h TRP 37 N -0.77 0.17 -0.09 4.33 4.06 -1.24 -0.19 115.95 122.22 3knt h TRP 37 Ca -0.02 0.01 -0.24 0.00 2.06 0.00 0.00 58.89 60.70 3knt h TRP 37 Cb 0.55 -0.05 0.01 0.00 -1.00 0.00 0.00 29.16 28.68 3knt h TRP 37 CO 0.10 0.03 -0.87 0.35 -3.56 0.00 0.00 178.44 174.49 3knt h PHE 38 N 0.11 1.06 -0.71 0.49 3.57 -1.44 -2.67 116.94 117.35 3knt h PHE 38 Ca 0.47 -0.51 0.06 0.00 3.53 0.00 0.00 57.97 61.52 3knt h PHE 38 Cb 1.66 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 40.21 3knt h PHE 38 CO -0.00 1.34 0.47 0.87 -2.23 0.00 0.00 178.31 178.76 3knt h LYS 39 N 0.47 0.74 -0.49 1.11 1.57 -0.84 0.19 116.57 119.32 3knt h LYS 39 Ca -0.08 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.53 3knt h LYS 39 Cb 1.51 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.64 3knt h LYS 39 CO 0.18 0.49 -0.17 0.93 -0.57 0.00 0.00 179.45 180.31 3knt h GLU 40 N 0.77 0.97 -0.72 3.15 4.39 -1.46 -0.06 114.58 121.62 3knt h GLU 40 Ca 0.30 -0.40 0.03 0.00 0.34 0.00 0.00 59.36 59.63 3knt h GLU 40 Cb 0.21 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.78 3knt h GLU 40 CO -0.10 1.07 0.45 1.25 -1.16 0.00 0.00 179.01 180.52 3knt h LEU 41 N 0.83 0.75 -0.46 1.33 5.85 -0.71 0.25 115.31 123.15 3knt h LEU 41 Ca 0.12 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 3knt h LEU 41 Cb 0.74 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 3knt h LEU 41 CO 0.06 0.52 0.03 0.00 -0.34 0.00 0.00 178.44 178.70 3knt h PHE 43 N 0.64 0.41 0.00 0.00 3.57 -0.48 -0.84 116.94 120.25 3knt h PHE 43 Ca 0.13 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 3knt h PHE 43 Cb 0.46 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 3knt h PHE 43 CO 0.03 0.10 -0.15 0.00 -2.23 0.00 0.00 178.31 176.06 3knt h ILE 45 N 0.00 0.30 -0.58 0.00 2.04 -0.48 -3.16 117.51 115.63 3knt h ILE 45 Ca -0.00 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.63 3knt h ILE 45 Cb 0.51 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 3knt h ILE 45 CO 0.02 0.15 0.00 0.18 0.00 0.00 0.00 178.15 178.50 3knt n LEU 46 N -3.18 3.17 -0.01 1.44 4.77 -0.18 -4.10 117.00 118.92 3knt n LEU 46 Ca 0.02 -1.57 0.03 0.00 -0.03 0.00 0.00 56.01 54.46 3knt n LEU 46 Cb 0.52 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 3knt n LEU 46 CO 0.34 0.79 0.00 0.41 -1.33 0.00 0.00 177.39 177.60 3knt n THR 47 N 1.24 0.00 -2.20 -5.08 -1.04 -1.03 -4.61 114.28 101.55 3knt n THR 47 Ca 0.20 -0.35 -0.42 0.00 -2.04 0.00 0.00 64.05 61.43 3knt n THR 47 Cb 0.50 1.01 -0.03 0.00 -1.82 0.00 0.00 70.33 69.99 3knt n THR 47 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3knt s ALA 48 N -1.58 3.62 -1.41 2.41 0.00 -1.25 -2.72 121.76 120.83 3knt s ALA 48 Ca 0.03 0.79 -0.10 0.00 0.00 0.00 0.00 51.96 52.68 3knt s ALA 48 Cb 0.05 -3.65 0.07 0.00 0.00 0.00 0.00 23.12 19.59 3knt s ALA 48 CO 0.26 -1.15 0.64 -1.71 0.00 0.00 0.00 175.76 173.81 3knt n ASN 49 N 6.29 -4.37 -0.25 0.00 5.15 -1.26 -4.93 115.26 115.89 3knt n ASN 49 Ca 0.15 -0.50 0.00 0.00 -0.60 0.00 0.00 54.58 53.63 3knt n ASN 49 Cb 0.44 -3.56 0.00 0.00 -0.53 0.00 0.00 39.78 36.13 3knt n ASN 49 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 3knt n PHE 50 N -4.24 -0.01 -3.94 1.20 7.35 -1.10 -5.01 117.46 111.70 3knt n PHE 50 Ca -0.01 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.32 3knt n PHE 50 Cb 0.55 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.32 3knt n PHE 50 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 3knt s THR 51 N -1.30 5.33 0.12 -2.13 2.01 -1.26 -4.97 115.64 113.44 3knt s THR 51 Ca 0.00 0.01 -0.14 0.00 0.31 0.00 0.00 61.69 61.87 3knt s THR 51 Cb 0.00 -3.38 -0.05 0.00 0.01 0.00 0.00 72.50 69.09 3knt s THR 51 CO 0.00 0.51 1.49 0.00 -0.69 0.00 0.00 174.62 175.92 3knt h ALA 52 N 4.56 0.52 -0.18 7.40 0.00 -1.91 -2.54 119.26 127.11 3knt h ALA 52 Ca -0.52 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 53.87 3knt h ALA 52 Cb 1.21 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3knt h ALA 52 CO 0.61 0.47 -0.53 0.93 0.00 0.00 0.00 179.25 180.73 3knt h GLU 53 N 0.57 0.52 -0.17 0.00 5.08 -1.95 -2.93 114.58 115.71 3knt h GLU 53 Ca 0.08 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 3knt h GLU 53 Cb 0.75 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 3knt h GLU 53 CO 0.06 0.93 0.05 0.78 -1.00 0.00 0.00 179.01 179.83 3knt h GLY 54 N 1.10 0.29 2.00 -3.84 0.00 -1.97 -2.94 103.07 97.71 3knt h GLY 54 Ca 0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 3knt h GLY 54 CO 0.10 0.16 -0.16 -1.33 0.00 0.00 0.00 176.54 175.31 3knt h GLY 55 N 0.10 0.00 0.84 4.60 0.00 -1.48 -2.40 103.07 104.74 3knt h GLY 55 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.36 3knt h GLY 55 CO -0.00 0.00 -0.25 -2.22 0.00 0.00 0.00 176.54 174.07 3knt h ILE 56 N 0.00 0.43 -0.71 2.60 2.04 -1.34 0.11 117.51 120.65 3knt h ILE 56 Ca -0.00 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 3knt h ILE 56 Cb 0.28 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 3knt h ILE 56 CO 0.02 0.04 0.40 0.08 0.00 0.00 0.00 178.15 178.69 3knt h ARG 57 N -0.88 0.97 -0.35 2.37 0.11 -1.45 -1.24 114.38 113.92 3knt h ARG 57 Ca -0.07 -0.10 -0.02 0.00 0.10 0.00 0.00 59.98 59.89 3knt h ARG 57 Cb 0.60 -0.20 -0.02 0.00 1.11 0.00 0.00 29.97 31.47 3knt h ARG 57 CO 0.12 0.70 0.15 0.82 0.10 0.00 0.00 179.97 181.86 3knt h ILE 58 N 0.98 1.18 0.00 0.08 2.04 -1.32 -0.73 117.51 119.75 3knt h ILE 58 Ca 0.25 -0.54 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 3knt h ILE 58 Cb 0.01 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3knt h ILE 58 CO -0.04 0.19 -0.13 -0.61 0.00 0.00 0.00 178.15 177.56 3knt h GLN 59 N 0.42 0.00 0.17 2.37 4.15 -0.21 -1.38 115.11 120.63 3knt h GLN 59 Ca 0.12 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.30 3knt h GLN 59 Cb 0.17 0.00 0.03 0.00 0.21 0.00 0.00 27.48 27.88 3knt h GLN 59 CO -0.01 0.13 -1.05 0.87 -1.93 0.00 0.00 178.83 176.84 3knt h LYS 60 N 0.00 0.41 0.30 1.69 1.57 -0.71 -2.52 116.57 117.32 3knt h LYS 60 Ca -0.00 -0.67 -0.01 0.00 -1.87 0.00 0.00 60.65 58.09 3knt h LYS 60 Cb 0.28 0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3knt h LYS 60 CO 0.02 1.31 -0.15 0.93 -0.57 0.00 0.00 179.45 180.99 3knt h GLU 61 N -0.14 -0.39 -0.83 3.15 4.39 -0.95 -3.27 114.58 116.54 3knt h GLU 61 Ca -0.18 0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.52 3knt h GLU 61 Cb 1.81 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 30.52 3knt h GLU 61 CO 0.20 -0.06 0.41 0.82 -1.16 0.00 0.00 179.01 179.21 3knt h ILE 62 N -0.79 1.25 0.00 3.13 2.04 -1.42 -3.47 117.51 118.26 3knt h ILE 62 Ca -0.04 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.12 3knt h ILE 62 Cb 0.51 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3knt h ILE 62 CO 0.07 0.30 0.00 0.61 0.00 0.00 0.00 178.15 179.13 3knt n GLY 63 N -1.05 3.30 0.00 5.37 0.00 -0.95 -0.73 105.19 111.13 3knt n GLY 63 Ca 0.08 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.11 3knt n GLY 63 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3knt n ASP 64 N 3.93 0.00 0.24 1.61 8.00 -1.26 -2.93 116.55 126.13 3knt n ASP 64 Ca 0.00 0.01 0.17 0.00 0.71 0.00 0.00 54.79 55.68 3knt n ASP 64 Cb 0.00 -0.20 0.87 0.00 -0.02 0.00 0.00 41.12 41.77 3knt n ASP 64 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3knt h GLY 65 N 1.52 0.00 2.00 0.44 0.00 -1.30 -0.46 103.07 105.28 3knt h GLY 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3knt h GLY 65 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.23 3knt n PHE 66 N -3.78 0.38 -0.03 5.60 0.99 -1.15 -2.16 117.46 117.31 3knt n PHE 66 Ca -0.00 0.18 -0.02 0.00 -0.00 0.00 0.00 57.45 57.61 3knt n PHE 66 Cb 0.24 -0.79 -0.05 0.00 -1.00 0.00 0.00 39.48 37.88 3knt n PHE 66 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 3knt n LEU 67 N -1.87 0.00 -0.01 4.37 4.77 -0.19 -4.83 117.00 119.24 3knt n LEU 67 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3knt n LEU 67 Cb 0.08 0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.27 3knt n LEU 67 CO 0.09 0.14 -0.61 0.35 -1.33 0.00 0.00 177.39 176.02 3knt n THR 68 N -2.17 0.18 -2.16 -5.08 -2.24 -1.17 -5.01 114.28 96.64 3knt n THR 68 Ca -0.10 -0.17 -0.42 0.00 -2.27 0.00 0.00 64.05 61.10 3knt n THR 68 Cb 0.64 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.54 3knt n THR 68 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3knt s LEU 69 N -3.90 4.37 0.80 3.22 1.43 -0.92 -5.00 118.68 118.69 3knt s LEU 69 Ca -0.02 2.36 -0.13 0.00 -1.03 0.00 0.00 54.13 55.30 3knt s LEU 69 Cb 0.02 -3.59 0.08 0.00 0.03 0.00 0.00 46.19 42.73 3knt s LEU 69 CO 0.21 -0.65 1.20 -2.84 0.23 0.00 0.00 176.35 174.49 3knt s PRO 70 N 0.97 1.68 0.08 1.29 0.02 -1.26 -4.64 135.00 133.14 3knt s PRO 70 Ca 0.64 1.72 -0.15 0.00 0.02 0.00 0.00 61.00 63.22 3knt s PRO 70 Cb -0.37 -1.78 -0.03 0.00 0.02 0.00 0.00 34.50 32.33 3knt s PRO 70 CO 0.31 -2.18 1.19 -2.13 -0.33 0.00 0.00 177.00 173.87 3knt n ARG 71 N -3.30 -0.22 0.19 5.54 3.00 -1.26 -1.22 116.66 119.39 3knt n ARG 71 Ca 0.13 1.18 0.06 0.00 -0.00 0.00 0.00 57.85 59.22 3knt n ARG 71 Cb 0.51 -1.74 0.54 0.00 0.00 0.00 0.00 32.46 31.76 3knt n ARG 71 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 3knt h GLU 72 N 0.00 0.13 -0.20 -0.14 9.09 -1.99 -1.14 114.58 120.33 3knt h GLU 72 Ca 0.08 -0.01 -0.05 0.00 0.05 0.00 0.00 59.36 59.42 3knt h GLU 72 Cb 0.20 -0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.27 3knt h GLU 72 CO -0.47 0.16 -0.09 0.93 0.05 0.00 0.00 179.01 179.59 3knt h GLU 73 N 0.13 0.41 -0.53 1.06 5.08 -1.53 -2.70 114.58 116.51 3knt h GLU 73 Ca 0.03 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 3knt h GLU 73 Cb 0.11 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3knt h GLU 73 CO 0.00 0.69 0.10 1.25 -1.00 0.00 0.00 179.01 180.06 3knt h LEU 74 N 0.11 0.77 -1.50 1.33 5.85 -0.40 -2.21 115.31 119.26 3knt h LEU 74 Ca 0.05 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 3knt h LEU 74 Cb 0.57 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 3knt h LEU 74 CO 0.03 0.78 -0.25 -0.08 -0.34 0.00 0.00 178.44 178.58 3knt h GLU 75 N 0.79 0.00 0.06 1.25 4.81 -1.21 -2.10 114.58 118.18 3knt h GLU 75 Ca 0.17 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3knt h GLU 75 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3knt h GLU 75 CO 0.00 0.25 -0.03 1.49 -0.73 0.00 0.00 179.01 179.99 3knt h GLU 76 N 0.00 -0.08 -0.94 1.92 4.57 -1.06 -0.23 114.58 118.75 3knt h GLU 76 Ca -0.00 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 3knt h GLU 76 Cb 0.52 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.07 3knt h GLU 76 CO 0.03 0.46 0.61 0.87 -1.18 0.00 0.00 179.01 179.80 3knt h LYS 77 N -0.69 1.08 -0.47 1.92 1.57 -1.36 0.45 116.57 119.07 3knt h LYS 77 Ca -0.01 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.62 3knt h LYS 77 Cb 0.58 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 3knt h LYS 77 CO 0.01 0.71 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.48 3knt h LEU 78 N 1.11 0.87 -0.09 2.94 3.38 -1.41 0.70 115.31 122.80 3knt h LEU 78 Ca 0.40 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3knt h LEU 78 Cb 0.15 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3knt h LEU 78 CO -0.15 1.00 -0.02 0.50 0.09 0.00 0.00 178.44 179.86 3knt h LYS 79 N 0.72 0.00 -0.40 1.13 1.63 0.40 -2.31 116.57 117.74 3knt h LYS 79 Ca 0.13 -0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.78 3knt h LYS 79 Cb 0.59 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 3knt h LYS 79 CO 0.04 0.00 -0.30 -0.91 -3.45 0.00 0.00 179.45 174.83 3knt h ASN 80 N 0.00 0.96 0.00 4.20 2.35 -0.09 -2.83 115.58 120.17 3knt h ASN 80 Ca 0.05 -0.44 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 3knt h ASN 80 Cb 0.07 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.17 3knt h ASN 80 CO -0.09 1.20 0.00 0.18 -1.65 0.00 0.00 177.43 177.06 3knt n LEU 81 N -4.12 0.70 -3.81 1.61 4.77 0.23 -4.83 117.00 111.54 3knt n LEU 81 Ca -0.02 -0.35 -0.26 0.00 -0.03 0.00 0.00 56.01 55.36 3knt n LEU 81 Cb 0.50 -0.35 0.03 0.00 -2.33 0.00 0.00 43.42 41.27 3knt n LEU 81 CO 0.47 0.17 0.02 0.61 -1.33 0.00 0.00 177.39 177.33 3knt n GLY 82 N 0.14 -0.39 3.76 -0.72 0.00 -1.07 -4.97 105.19 101.95 3knt n GLY 82 Ca 0.00 0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3knt n GLY 82 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3knt s HIS 83 N -3.50 3.76 0.27 1.61 5.04 -0.88 -4.96 115.29 116.63 3knt s HIS 83 Ca 0.32 1.41 0.01 0.00 -1.54 0.00 0.00 55.06 55.26 3knt s HIS 83 Cb -0.16 -2.72 0.61 0.00 0.04 0.00 0.00 32.58 30.34 3knt s HIS 83 CO 0.82 0.37 1.73 0.00 -2.34 0.00 0.00 174.74 175.32 3knt h ARG 84 N 5.28 0.49 -2.91 2.88 3.08 -1.93 -3.29 114.38 117.97 3knt h ARG 84 Ca -0.45 -0.03 -0.61 0.00 0.07 0.00 0.00 59.98 58.95 3knt h ARG 84 Cb 1.21 -0.11 -0.41 0.00 0.08 0.00 0.00 29.97 30.74 3knt h ARG 84 CO 0.69 0.32 -0.70 -0.06 -1.07 0.00 0.00 179.97 179.15 3knt s PHE 85 N -5.94 2.66 0.05 3.04 0.40 -1.26 -4.95 117.98 111.97 3knt s PHE 85 Ca -0.12 -2.92 -0.19 0.00 -0.60 0.00 0.00 56.93 53.09 3knt s PHE 85 Cb 0.23 -2.13 -0.14 0.00 0.51 0.00 0.00 43.02 41.49 3knt s PHE 85 CO 0.78 -0.67 1.33 0.10 0.70 0.00 0.00 175.22 177.46 3knt h TYR 86 N 5.76 0.53 0.60 0.36 -0.00 -1.86 -3.02 116.97 119.35 3knt h TYR 86 Ca 0.13 -0.17 -0.03 0.00 -0.00 0.00 0.00 58.73 58.66 3knt h TYR 86 Cb 0.83 -0.11 0.00 0.00 -0.00 0.00 0.00 36.73 37.46 3knt h TYR 86 CO 0.53 0.84 -0.32 0.00 -0.00 0.00 0.00 178.16 179.22 3knt h ARG 87 N 0.06 -0.82 -0.00 0.10 3.08 -1.93 -2.55 114.38 112.33 3knt h ARG 87 Ca 0.02 0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.14 3knt h ARG 87 Cb 0.78 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 3knt h ARG 87 CO 0.05 -0.55 -0.07 0.87 -1.07 0.00 0.00 179.97 179.20 3knt h LYS 88 N -0.85 -0.12 -0.75 0.04 6.56 -2.00 -2.09 116.57 117.36 3knt h LYS 88 Ca -0.08 0.01 0.04 0.00 -1.06 0.00 0.00 60.65 59.56 3knt h LYS 88 Cb 0.66 0.03 -0.04 0.00 -0.57 0.00 0.00 32.23 32.31 3knt h LYS 88 CO 0.12 -0.08 0.50 0.00 -2.06 0.00 0.00 179.45 177.92 3knt h ARG 89 N -0.13 0.86 -0.43 3.15 2.47 -1.61 0.12 114.38 118.81 3knt h ARG 89 Ca 0.03 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.67 3knt h ARG 89 Cb 0.16 -0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 28.27 3knt h ARG 89 CO -0.08 0.57 0.15 0.00 0.56 0.00 0.00 179.97 181.17 3knt h ALA 90 N 1.57 0.57 -0.31 0.04 0.00 -1.17 -1.02 119.26 118.93 3knt h ALA 90 Ca 0.31 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3knt h ALA 90 Cb 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3knt h ALA 90 CO -0.09 0.20 0.20 1.49 0.00 0.00 0.00 179.25 181.05 3knt h GLU 91 N 0.56 0.40 -0.83 0.00 4.81 -0.44 0.28 114.58 119.36 3knt h GLU 91 Ca 0.14 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3knt h GLU 91 Cb 0.24 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 3knt h GLU 91 CO -0.01 0.27 0.47 1.88 -0.73 0.00 0.00 179.01 180.89 3knt h TYR 92 N 0.42 1.13 -0.34 0.92 0.05 -0.70 -1.00 116.97 117.44 3knt h TYR 92 Ca 0.12 -0.02 -0.10 0.00 0.05 0.00 0.00 58.73 58.77 3knt h TYR 92 Cb -0.04 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.33 3knt h TYR 92 CO -0.06 0.77 -0.20 0.82 -1.05 0.00 0.00 178.16 178.45 3knt h ILE 93 N 1.16 1.29 -0.10 -2.88 2.04 -0.75 -2.46 117.51 115.81 3knt h ILE 93 Ca 0.30 -1.33 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 3knt h ILE 93 Cb 0.01 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 3knt h ILE 93 CO -0.05 0.43 0.03 0.58 0.00 0.00 0.00 178.15 179.14 3knt h VAL 94 N 0.51 1.19 -0.57 1.67 2.07 -0.70 -2.96 116.25 117.45 3knt h VAL 94 Ca 0.07 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 67.04 3knt h VAL 94 Cb 0.74 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 3knt h VAL 94 CO 0.06 0.17 0.38 -0.07 0.02 0.00 0.00 177.57 178.12 3knt h LEU 95 N -0.04 0.61 -0.27 2.57 3.38 -1.21 -1.81 115.31 118.54 3knt h LEU 95 Ca 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3knt h LEU 95 Cb 0.24 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3knt h LEU 95 CO -0.00 0.43 0.00 0.00 0.09 0.00 0.00 178.44 178.96 3knt n ALA 96 N -2.46 1.76 0.20 1.53 0.00 -0.93 -3.25 120.51 117.37 3knt n ALA 96 Ca 0.06 -0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.56 3knt n ALA 96 Cb 0.10 -1.33 0.26 0.00 0.00 0.00 0.00 19.45 18.48 3knt n ALA 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3knt n ARG 97 N -1.83 0.05 0.22 0.00 1.74 -0.68 -1.46 116.66 114.70 3knt n ARG 97 Ca 0.03 0.46 0.07 0.00 -0.77 0.00 0.00 57.85 57.64 3knt n ARG 97 Cb 0.22 -1.65 0.51 0.00 -1.02 0.00 0.00 32.46 30.53 3knt n ARG 97 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 3knt h ARG 98 N 0.00 0.00 -1.19 5.56 0.11 -1.77 -2.37 114.38 114.71 3knt h ARG 98 Ca 0.00 0.00 -0.66 0.00 0.10 0.00 0.00 59.98 59.42 3knt h ARG 98 Cb 0.10 0.00 -0.33 0.00 1.11 0.00 0.00 29.97 30.85 3knt h ARG 98 CO 0.00 0.24 0.37 1.19 0.10 0.00 0.00 179.97 181.87 3knt n PHE 99 N -3.95 3.09 -0.03 4.08 3.72 -0.54 -4.79 117.46 119.04 3knt n PHE 99 Ca -0.02 -2.71 0.13 0.00 -0.05 0.00 0.00 57.45 54.79 3knt n PHE 99 Cb 0.32 -1.01 0.54 0.00 -0.94 0.00 0.00 39.48 38.39 3knt n PHE 99 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 3knt h LYS 100 N 2.30 0.30 -2.72 -1.08 2.10 -1.56 -1.95 116.57 113.96 3knt h LYS 100 Ca 0.52 -0.02 -0.71 0.00 -2.00 0.00 0.00 60.65 58.44 3knt h LYS 100 Cb 0.83 -0.07 -0.07 0.00 -0.90 0.00 0.00 32.23 32.02 3knt h LYS 100 CO 1.30 0.20 2.83 0.27 -2.00 0.00 0.00 179.45 182.05 3knt n ASN 101 N -4.46 8.25 0.13 7.07 0.23 -1.26 -4.49 115.26 120.72 3knt n ASN 101 Ca 0.08 -2.95 0.04 0.00 -0.53 0.00 0.00 54.58 51.21 3knt n ASN 101 Cb 0.37 -1.42 0.44 0.00 -2.08 0.00 0.00 39.78 37.08 3knt n ASN 101 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 3knt h ILE 102 N 2.71 1.14 -0.08 1.53 6.09 -1.57 -2.82 117.51 124.52 3knt h ILE 102 Ca 0.75 -0.58 -0.00 0.00 -1.37 0.00 0.00 64.86 63.67 3knt h ILE 102 Cb 0.31 1.08 -0.00 0.00 0.47 0.00 0.00 36.82 38.68 3knt h ILE 102 CO 1.56 0.18 0.05 0.50 -3.07 0.00 0.00 178.15 177.37 3knt h LYS 103 N 0.23 0.10 -0.91 2.19 3.64 -1.84 0.39 116.57 120.37 3knt h LYS 103 Ca 0.05 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.50 3knt h LYS 103 Cb 0.25 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.99 3knt h LYS 103 CO 0.01 0.11 0.57 -0.44 -2.27 0.00 0.00 179.45 177.43 3knt h ASP 104 N 0.07 0.89 -0.03 4.20 3.32 -1.91 -0.28 116.42 122.68 3knt h ASP 104 Ca 0.03 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3knt h ASP 104 Cb 0.03 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 3knt h ASP 104 CO -0.01 0.55 -0.03 0.40 -1.72 0.00 0.00 179.24 178.44 3knt h ILE 105 N 1.02 1.38 -0.05 0.35 2.04 -1.33 -2.63 117.51 118.28 3knt h ILE 105 Ca 0.41 -1.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 3knt h ILE 105 Cb 0.22 2.10 -0.00 0.00 -0.74 0.00 0.00 36.82 38.40 3knt h ILE 105 CO -0.19 0.32 0.02 0.58 0.00 0.00 0.00 178.15 178.87 3knt h VAL 106 N -0.38 1.15 -0.93 1.67 2.07 -0.72 -2.99 116.25 116.13 3knt h VAL 106 Ca 0.01 -0.44 0.06 0.00 0.82 0.00 0.00 66.70 67.15 3knt h VAL 106 Cb 0.53 1.36 -0.06 0.00 -1.52 0.00 0.00 31.29 31.59 3knt h VAL 106 CO 0.01 0.12 0.60 -0.33 0.02 0.00 0.00 177.57 177.99 3knt h GLU 107 N -0.09 1.03 -0.04 1.57 5.08 -1.14 -1.90 114.58 119.09 3knt h GLU 107 Ca 0.02 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3knt h GLU 107 Cb 0.18 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 3knt h GLU 107 CO -0.00 0.68 0.05 0.66 -1.00 0.00 0.00 179.01 179.40 3knt h SER 108 N 1.07 0.00 -4.27 1.42 4.64 -1.31 -3.43 113.55 111.67 3knt h SER 108 Ca 0.40 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 61.20 3knt h SER 108 Cb 0.18 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 62.43 3knt h SER 108 CO -0.15 0.00 0.27 -0.36 -0.87 0.00 0.00 176.83 175.72 3knt s PHE 109 N -4.67 2.14 0.02 4.77 0.08 -0.72 -4.98 117.98 114.62 3knt s PHE 109 Ca -0.05 1.64 -0.17 0.00 0.12 0.00 0.00 56.93 58.47 3knt s PHE 109 Cb 0.15 -3.18 -0.09 0.00 -0.57 0.00 0.00 43.02 39.33 3knt s PHE 109 CO 0.56 -2.28 1.10 1.49 -0.10 0.00 0.00 175.22 175.98 3knt h GLU 110 N -1.49 -0.59 0.00 0.44 4.57 -1.86 -3.48 114.58 112.17 3knt h GLU 110 Ca -0.44 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 3knt h GLU 110 Cb 1.25 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.97 3knt h GLU 110 CO 0.47 -0.39 0.00 0.27 -1.18 0.00 0.00 179.01 178.18 3knt n ASN 111 N -3.87 1.13 0.07 1.04 2.04 -1.26 -5.06 115.26 109.36 3knt n ASN 111 Ca -0.08 -0.53 -0.13 0.00 -0.44 0.00 0.00 54.58 53.41 3knt n ASN 111 Cb 0.24 0.00 -0.14 0.00 -2.53 0.00 0.00 39.78 37.35 3knt n ASN 111 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 3knt h GLU 112 N 0.00 0.17 -0.60 -3.83 5.08 -1.95 -3.13 114.58 110.32 3knt h GLU 112 Ca 0.00 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.01 3knt h GLU 112 Cb 0.00 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3knt h GLU 112 CO 0.00 1.06 0.13 -0.22 -1.00 0.00 0.00 179.01 178.98 3knt h LYS 113 N 0.05 0.94 0.15 2.33 1.63 -1.97 -1.53 116.57 118.17 3knt h LYS 113 Ca -0.15 -0.21 -0.31 0.00 -0.85 0.00 0.00 60.65 59.12 3knt h LYS 113 Cb 1.94 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 33.44 3knt h LYS 113 CO 0.16 0.85 -1.53 0.28 -3.45 0.00 0.00 179.45 175.76 3knt h VAL 114 N 0.90 1.17 -0.36 2.00 2.07 -1.99 -3.28 116.25 116.76 3knt h VAL 114 Ca 0.19 -2.77 0.01 0.00 0.82 0.00 0.00 66.70 64.95 3knt h VAL 114 Cb 0.34 2.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 3knt h VAL 114 CO 0.00 0.83 0.23 0.00 0.02 0.00 0.00 177.57 178.65 3knt h ALA 115 N 0.40 0.45 -0.51 1.67 0.00 -1.46 -2.03 119.26 117.79 3knt h ALA 115 Ca -0.25 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.73 3knt h ALA 115 Cb 2.05 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.67 3knt h ALA 115 CO 0.18 -0.10 0.35 -0.09 0.00 0.00 0.00 179.25 179.59 3knt h ARG 116 N 0.47 0.31 -0.58 0.00 2.43 -1.40 -1.54 114.38 114.07 3knt h ARG 116 Ca 0.13 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.20 3knt h ARG 116 Cb -0.04 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 3knt h ARG 116 CO -0.04 0.20 0.01 1.49 -1.51 0.00 0.00 179.97 180.12 3knt h GLU 117 N 0.32 1.01 0.07 0.20 4.57 -1.43 -2.32 114.58 117.00 3knt h GLU 117 Ca 0.23 -0.32 -0.00 0.00 -1.18 0.00 0.00 59.36 58.09 3knt h GLU 117 Cb 0.50 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 3knt h GLU 117 CO -0.05 1.00 -0.03 0.35 -1.18 0.00 0.00 179.01 179.09 3knt h PHE 118 N 0.90 -0.09 -0.43 0.92 3.04 -1.06 -2.81 116.94 117.42 3knt h PHE 118 Ca 0.16 -0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.19 3knt h PHE 118 Cb 0.54 0.03 -0.07 0.00 2.56 0.00 0.00 35.95 39.01 3knt h PHE 118 CO 0.04 0.08 0.03 -0.07 -2.02 0.00 0.00 178.31 176.37 3knt h LEU 119 N -0.24 -0.12 0.42 0.59 3.38 -1.34 0.36 115.31 118.35 3knt h LEU 119 Ca -0.01 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3knt h LEU 119 Cb 0.21 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 3knt h LEU 119 CO 0.02 -0.03 -0.24 0.58 0.09 0.00 0.00 178.44 178.86 3knt h VAL 120 N 0.14 0.50 -0.42 1.22 2.07 -1.40 -1.31 116.25 117.04 3knt h VAL 120 Ca 0.21 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.59 3knt h VAL 120 Cb 0.30 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3knt h VAL 120 CO -0.33 0.00 -0.29 0.08 0.02 0.00 0.00 177.57 177.05 3knt h ARG 121 N -0.62 0.93 -0.49 1.57 0.11 -1.31 -3.29 114.38 111.28 3knt h ARG 121 Ca -0.05 -0.43 0.00 0.00 0.10 0.00 0.00 59.98 59.60 3knt h ARG 121 Cb 0.50 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.57 3knt h ARG 121 CO 0.06 1.09 0.00 0.09 0.10 0.00 0.00 179.97 181.30 3knt n ASN 122 N -4.09 2.62 -3.68 0.08 3.02 0.12 -4.79 115.26 108.54 3knt n ASN 122 Ca -0.01 -2.01 -0.15 0.00 -0.03 0.00 0.00 54.58 52.38 3knt n ASN 122 Cb 0.49 -0.33 -0.15 0.00 -0.61 0.00 0.00 39.78 39.19 3knt n ASN 122 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3knt s ILE 123 N -1.36 -0.25 0.21 2.41 1.01 -0.51 -4.97 121.20 117.74 3knt s ILE 123 Ca 0.33 0.29 -0.31 0.00 0.00 0.00 0.00 60.65 60.96 3knt s ILE 123 Cb 0.17 -0.33 -0.10 0.00 0.01 0.00 0.00 42.46 42.21 3knt s ILE 123 CO 0.22 0.12 1.49 -0.54 0.00 0.00 0.00 174.94 176.23 3knt s LYS 124 N 2.06 4.25 0.00 2.79 1.02 -1.26 -2.55 119.74 126.04 3knt s LYS 124 Ca -0.00 2.32 0.00 0.00 0.02 0.00 0.00 55.97 58.30 3knt s LYS 124 Cb -0.12 -3.13 0.00 0.00 -0.52 0.00 0.00 37.83 34.06 3knt s LYS 124 CO -0.07 -0.50 0.00 0.41 -0.92 0.00 0.00 175.35 174.27 3knt n GLY 125 N 2.90 0.28 3.13 -3.33 0.00 -1.26 -4.81 105.19 102.11 3knt n GLY 125 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3knt n GLY 125 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3knt s ILE 126 N -2.02 1.96 0.00 -0.61 -1.09 -1.06 -4.83 121.20 113.55 3knt s ILE 126 Ca 0.00 -0.90 0.00 0.00 -2.23 0.00 0.00 60.65 57.52 3knt s ILE 126 Cb 0.00 -1.75 0.00 0.00 -1.58 0.00 0.00 42.46 39.13 3knt s ILE 126 CO 0.00 0.53 0.00 0.61 -1.23 0.00 0.00 174.94 174.85 3knt n GLY 127 N 4.30 7.14 0.10 6.18 0.00 -1.26 -4.49 105.19 117.16 3knt n GLY 127 Ca -0.20 -1.89 -0.12 0.00 0.00 0.00 0.00 46.02 43.81 3knt n GLY 127 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3knt h TYR 128 N 0.00 0.25 0.56 1.61 -1.99 -1.95 0.78 116.97 116.22 3knt h TYR 128 Ca 0.00 -0.06 -0.03 0.00 2.00 0.00 0.00 58.73 60.65 3knt h TYR 128 Cb 0.00 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 38.67 3knt h TYR 128 CO 0.00 0.53 -0.27 0.37 -0.00 0.00 0.00 178.16 178.79 3knt h GLN 129 N -0.11 -0.73 -0.45 4.88 4.15 -1.89 0.52 115.11 121.48 3knt h GLN 129 Ca 0.03 0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.53 3knt h GLN 129 Cb 0.46 0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.29 3knt h GLN 129 CO 0.01 -0.49 0.30 0.93 -1.93 0.00 0.00 178.83 177.66 3knt h GLU 130 N -0.76 0.47 -0.38 1.69 4.39 -1.89 0.50 114.58 118.61 3knt h GLU 130 Ca -0.07 -0.03 -0.15 0.00 0.34 0.00 0.00 59.36 59.45 3knt h GLU 130 Cb 0.58 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 3knt h GLU 130 CO 0.12 0.31 -0.36 0.00 -1.16 0.00 0.00 179.01 177.92 3knt h ALA 131 N 1.74 0.65 0.11 3.43 0.00 -0.54 0.26 119.26 124.91 3knt h ALA 131 Ca 0.18 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3knt h ALA 131 Cb 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3knt h ALA 131 CO -0.05 0.67 -0.06 0.77 0.00 0.00 0.00 179.25 180.59 3knt h SER 132 N 0.73 -0.13 -0.85 0.00 0.02 0.04 -1.52 113.55 111.84 3knt h SER 132 Ca 0.07 -0.36 0.12 0.00 -0.84 0.00 0.00 61.79 60.77 3knt h SER 132 Cb 0.94 0.03 -0.14 0.00 0.14 0.00 0.00 62.40 63.38 3knt h SER 132 CO 0.09 0.32 -0.43 -0.74 -1.14 0.00 0.00 176.83 174.94 3knt h HIS 133 N -0.62 -1.24 0.18 3.45 6.17 -0.02 0.12 115.15 123.19 3knt h HIS 133 Ca -0.02 0.10 0.00 0.00 0.71 0.00 0.00 60.37 61.17 3knt h HIS 133 Cb 0.49 0.66 -0.03 0.00 2.52 0.00 0.00 27.41 31.05 3knt h HIS 133 CO 0.07 -0.40 -0.44 0.35 0.71 0.00 0.00 177.93 178.22 3knt h PHE 134 N -0.07 -1.25 -0.92 5.26 3.57 -0.85 -1.75 116.94 120.93 3knt h PHE 134 Ca 0.26 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.89 3knt h PHE 134 Cb 0.55 0.52 -0.07 0.00 2.79 0.00 0.00 35.95 39.75 3knt h PHE 134 CO -0.83 -0.51 0.59 -0.07 -2.23 0.00 0.00 178.31 175.26 3knt h LEU 135 N -0.68 0.84 -0.00 0.59 3.38 -0.54 -1.94 115.31 116.96 3knt h LEU 135 Ca -0.02 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3knt h LEU 135 Cb 0.65 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 3knt h LEU 135 CO -0.19 0.49 0.00 -0.09 0.09 0.00 0.00 178.44 178.74 3knt h ARG 136 N 0.93 0.00 -0.10 1.13 1.12 -0.59 -1.66 114.38 115.21 3knt h ARG 136 Ca 0.43 -0.00 0.03 0.00 -1.11 0.00 0.00 59.98 59.33 3knt h ARG 136 Cb 0.40 -0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.35 3knt h ARG 136 CO -0.19 0.06 0.15 -0.91 -3.11 0.00 0.00 179.97 175.97 3knt h ASN 137 N -0.05 0.00 -0.03 -3.80 4.21 -0.52 -2.15 115.58 113.24 3knt h ASN 137 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3knt h ASN 137 Cb 0.06 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.26 3knt h ASN 137 CO -0.00 0.00 -0.10 1.33 -1.29 0.00 0.00 177.43 177.37 3knt n VAL 138 N -3.61 0.00 0.00 2.81 0.24 -1.10 -4.43 118.33 112.24 3knt n VAL 138 Ca -0.00 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 3knt n VAL 138 Cb 0.25 1.44 0.00 0.00 -1.47 0.00 0.00 33.84 34.06 3knt n VAL 138 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3knt n GLY 139 N 1.35 0.73 3.78 7.63 0.00 -0.81 -4.34 105.19 113.53 3knt n GLY 139 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3knt n GLY 139 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3knt s TYR 140 N -1.15 3.34 -0.01 1.61 2.02 -0.64 -4.81 117.35 117.70 3knt s TYR 140 Ca 0.00 1.66 0.07 0.00 -0.37 0.00 0.00 57.07 58.43 3knt s TYR 140 Cb 0.00 -3.09 -0.10 0.00 -0.40 0.00 0.00 41.96 38.36 3knt s TYR 140 CO 0.00 -0.49 0.13 -0.25 -1.57 0.00 0.00 175.55 173.37 3knt n ASP 141 N 0.04 3.46 -2.12 2.29 8.00 -1.26 -4.23 116.55 122.74 3knt n ASP 141 Ca 0.04 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.29 3knt n ASP 141 Cb 0.50 1.24 0.02 0.00 -0.02 0.00 0.00 41.12 42.85 3knt n ASP 141 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3knt n ASP 142 N -1.79 5.00 -4.25 -2.24 2.03 -1.26 -2.31 116.55 111.73 3knt n ASP 142 Ca -0.02 -3.75 -0.31 0.00 0.52 0.00 0.00 54.79 51.24 3knt n ASP 142 Cb 0.23 -0.39 -0.16 0.00 -0.72 0.00 0.00 41.12 40.08 3knt n ASP 142 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3knt s VAL 143 N -4.78 1.95 -0.03 5.18 -7.23 -1.26 -4.97 120.40 109.26 3knt s VAL 143 Ca 0.51 -1.01 -0.18 0.00 -1.81 0.00 0.00 61.98 59.49 3knt s VAL 143 Cb 0.41 -1.65 -0.05 0.00 0.56 0.00 0.00 36.38 35.65 3knt s VAL 143 CO -0.01 0.54 0.52 0.00 -0.31 0.00 0.00 175.10 175.85 3knt s ALA 144 N -0.13 3.54 -0.25 1.32 0.00 -1.26 -4.50 121.76 120.47 3knt s ALA 144 Ca -0.04 -0.09 -0.18 0.00 0.00 0.00 0.00 51.96 51.66 3knt s ALA 144 Cb -0.13 -2.63 -0.03 0.00 0.00 0.00 0.00 23.12 20.33 3knt s ALA 144 CO 0.03 0.21 0.50 0.42 0.00 0.00 0.00 175.76 176.92 3knt s ILE 145 N -0.24 5.09 -0.50 0.00 1.01 -1.26 -4.82 121.20 120.48 3knt s ILE 145 Ca 0.28 0.85 -0.03 0.00 0.00 0.00 0.00 60.65 61.75 3knt s ILE 145 Cb -0.17 -3.81 0.13 0.00 0.01 0.00 0.00 42.46 38.62 3knt s ILE 145 CO 0.15 0.11 0.30 -0.63 0.00 0.00 0.00 174.94 174.86 3knt s ILE 146 N 2.19 3.42 0.06 2.92 1.09 -1.26 -4.88 121.20 124.75 3knt s ILE 146 Ca 0.21 -2.45 0.01 0.00 -1.10 0.00 0.00 60.65 57.31 3knt s ILE 146 Cb -0.16 -3.30 0.01 0.00 -1.06 0.00 0.00 42.46 37.95 3knt s ILE 146 CO 0.09 -0.77 0.04 -0.90 -0.10 0.00 0.00 174.94 173.31 3knt n ASP 147 N 4.11 1.29 -0.16 3.58 3.85 -1.26 -4.76 116.55 123.20 3knt n ASP 147 Ca 0.02 -1.22 0.06 0.00 -0.71 0.00 0.00 54.79 52.94 3knt n ASP 147 Cb 0.40 0.00 0.36 0.00 -1.35 0.00 0.00 41.12 40.53 3knt n ASP 147 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.20 176.27 3knt h ARG 148 N 0.00 0.71 0.02 0.11 0.11 -1.99 -2.65 114.38 110.70 3knt h ARG 148 Ca -0.04 -0.04 -0.00 0.00 0.10 0.00 0.00 59.98 60.00 3knt h ARG 148 Cb 0.15 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 31.07 3knt h ARG 148 CO 0.06 0.47 -0.01 0.45 0.10 0.00 0.00 179.97 181.04 3knt h HIS 149 N 0.73 -0.03 0.00 4.08 3.86 -1.98 -0.61 115.15 121.21 3knt h HIS 149 Ca 0.29 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.50 3knt h HIS 149 Cb 0.23 0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.71 3knt h HIS 149 CO -0.00 0.42 -0.04 -0.84 0.86 0.00 0.00 177.93 178.33 3knt h ILE 150 N -0.99 0.57 -0.08 2.45 -0.00 -1.90 0.17 117.51 117.73 3knt h ILE 150 Ca -0.00 -0.17 -0.09 0.00 -0.00 0.00 0.00 64.86 64.60 3knt h ILE 150 Cb 0.47 1.10 0.00 0.00 -0.00 0.00 0.00 36.82 38.39 3knt h ILE 150 CO 0.01 0.04 -0.31 -0.07 -0.00 0.00 0.00 178.15 177.82 3knt h LEU 151 N 0.00 0.40 0.11 0.16 3.38 -1.54 -2.74 115.31 115.08 3knt h LEU 151 Ca -0.00 -0.63 0.02 0.00 0.09 0.00 0.00 57.88 57.36 3knt h LEU 151 Cb 0.10 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 3knt h LEU 151 CO 0.01 0.97 -0.37 -0.09 0.09 0.00 0.00 178.44 179.04 3knt h ARG 152 N -0.14 -0.58 -0.93 1.13 9.65 0.87 -1.63 114.38 122.77 3knt h ARG 152 Ca -0.02 0.04 0.20 0.00 -1.10 0.00 0.00 59.98 59.10 3knt h ARG 152 Cb 0.95 0.13 -0.11 0.00 -1.39 0.00 0.00 29.97 29.54 3knt h ARG 152 CO 0.06 -0.38 0.49 1.49 2.80 0.00 0.00 179.97 184.44 3knt h GLU 153 N -0.60 0.57 0.00 0.20 4.57 -0.94 -1.40 114.58 116.98 3knt h GLU 153 Ca 0.03 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3knt h GLU 153 Cb 0.63 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 3knt h GLU 153 CO -0.23 0.37 0.00 -0.07 -1.18 0.00 0.00 179.01 177.90 3knt h LEU 154 N 0.58 0.00 0.00 1.64 3.38 -0.98 -2.28 115.31 117.65 3knt h LEU 154 Ca 0.55 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 58.18 3knt h LEU 154 Cb 0.94 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.63 3knt h LEU 154 CO -0.44 0.00 -2.30 0.00 0.09 0.00 0.00 178.44 175.79 3knt n TYR 155 N -2.78 0.00 0.03 1.13 9.36 -0.79 0.48 117.16 124.58 3knt n TYR 155 Ca 0.02 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.38 3knt n TYR 155 Cb 0.34 -0.88 0.60 0.00 -0.63 0.00 0.00 39.34 38.76 3knt n TYR 155 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 3knt h GLU 156 N 0.00 0.17 -0.59 2.98 5.08 -1.29 -1.11 114.58 119.82 3knt h GLU 156 Ca -0.51 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 3knt h GLU 156 Cb 1.82 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.03 3knt h GLU 156 CO -0.07 0.11 0.00 0.09 -1.00 0.00 0.00 179.01 178.14 3knt n ASN 157 N -4.45 5.06 -3.63 1.42 4.13 -0.86 -4.97 115.26 111.95 3knt n ASN 157 Ca 0.07 -2.66 -0.29 0.00 1.68 0.00 0.00 54.58 53.38 3knt n ASN 157 Cb 0.39 -0.61 0.04 0.00 -1.54 0.00 0.00 39.78 38.06 3knt n ASN 157 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3knt n ASN 158 N 0.83 -5.53 -0.03 6.41 3.02 -0.42 -4.89 115.26 114.64 3knt n ASN 158 Ca 0.26 -0.95 -0.04 0.00 -0.03 0.00 0.00 54.58 53.82 3knt n ASN 158 Cb 1.00 -3.52 -0.04 0.00 -0.61 0.00 0.00 39.78 36.62 3knt n ASN 158 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3knt n TYR 159 N -3.95 0.00 -4.48 3.10 4.02 0.18 -5.01 117.16 111.02 3knt n TYR 159 Ca -0.09 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.56 3knt n TYR 159 Cb 0.59 -0.28 -0.10 0.00 -0.02 0.00 0.00 39.34 39.52 3knt n TYR 159 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 3knt s ILE 160 N -2.14 1.90 -0.10 -0.72 -4.36 -0.19 -4.99 121.20 110.60 3knt s ILE 160 Ca -0.07 -2.16 0.10 0.00 -0.26 0.00 0.00 60.65 58.26 3knt s ILE 160 Cb 0.02 -2.53 -0.13 0.00 1.25 0.00 0.00 42.46 41.06 3knt s ILE 160 CO 0.20 -0.26 0.05 0.47 0.24 0.00 0.00 174.94 175.65 3knt n ASP 161 N -0.67 2.38 -4.17 4.36 8.00 -1.26 -4.42 116.55 120.77 3knt n ASP 161 Ca -0.05 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.26 3knt n ASP 161 Cb 0.63 0.82 -0.12 0.00 -0.02 0.00 0.00 41.12 42.44 3knt n ASP 161 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 3knt s GLU 162 N -2.30 0.84 -1.10 -1.24 -1.05 -1.26 -5.07 118.70 107.52 3knt s GLU 162 Ca -0.05 -0.94 -0.22 0.00 -0.15 0.00 0.00 54.97 53.61 3knt s GLU 162 Cb 0.03 -0.85 0.04 0.00 -0.44 0.00 0.00 34.13 32.92 3knt s GLU 162 CO 0.44 0.19 1.58 0.42 0.95 0.00 0.00 175.26 178.84 3knt s ILE 163 N -1.23 3.93 0.16 1.83 -1.09 -1.26 -4.96 121.20 118.59 3knt s ILE 163 Ca -0.01 -1.07 -0.34 0.00 -2.23 0.00 0.00 60.65 57.00 3knt s ILE 163 Cb -0.10 -5.01 -0.15 0.00 -1.58 0.00 0.00 42.46 35.62 3knt s ILE 163 CO 0.02 -1.87 1.39 -2.65 -1.23 0.00 0.00 174.94 170.61 3knt n PRO 164 N 8.73 1.67 -0.03 2.79 -0.02 -1.26 -4.85 135.00 142.03 3knt n PRO 164 Ca 0.38 0.60 -0.14 0.00 -2.02 0.00 0.00 63.50 62.32 3knt n PRO 164 Cb 0.49 -2.26 -0.09 0.00 -0.02 0.00 0.00 33.50 31.62 3knt n PRO 164 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3knt h LYS 165 N 4.63 -0.52 -4.60 -0.52 6.56 -2.07 -3.38 116.57 116.67 3knt h LYS 165 Ca -0.45 0.04 -0.70 0.00 -1.06 0.00 0.00 60.65 58.47 3knt h LYS 165 Cb 1.30 0.12 -0.30 0.00 -0.57 0.00 0.00 32.23 32.78 3knt h LYS 165 CO 0.79 -0.35 -0.57 0.95 -2.06 0.00 0.00 179.45 178.21 3knt s THR 166 N -5.73 3.74 -0.76 -0.16 -4.23 -1.26 -5.02 115.64 102.22 3knt s THR 166 Ca -0.15 -1.36 -0.27 0.00 -1.18 0.00 0.00 61.69 58.73 3knt s THR 166 Cb 0.08 -3.23 0.03 0.00 1.34 0.00 0.00 72.50 70.72 3knt s THR 166 CO 0.62 -0.33 1.36 -0.22 -0.54 0.00 0.00 174.62 175.50 3knt s LEU 167 N 1.35 3.20 0.70 4.79 0.20 -1.26 -4.93 118.68 122.74 3knt s LEU 167 Ca 0.01 -0.48 -0.11 0.00 0.69 0.00 0.00 54.13 54.24 3knt s LEU 167 Cb -0.21 -2.56 0.02 0.00 -0.43 0.00 0.00 46.19 43.01 3knt s LEU 167 CO 0.01 -1.87 1.07 -0.94 -0.29 0.00 0.00 176.35 174.33 3knt s SER 168 N 4.31 5.19 0.28 3.68 1.04 -1.26 -4.59 113.70 122.36 3knt s SER 168 Ca 0.39 1.69 -0.03 0.00 0.48 0.00 0.00 55.95 58.49 3knt s SER 168 Cb -0.08 -2.51 0.39 0.00 0.10 0.00 0.00 66.02 63.93 3knt s SER 168 CO 0.13 -1.57 1.93 -0.09 0.98 0.00 0.00 173.24 174.62 3knt h ARG 169 N -0.71 1.17 0.00 4.02 2.43 -1.98 3.67 114.38 122.98 3knt h ARG 169 Ca -0.44 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 58.60 3knt h ARG 169 Cb 1.22 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 3knt h ARG 169 CO 0.55 0.77 -0.30 -0.09 -1.51 0.00 0.00 179.97 179.40 3knt h ARG 170 N 1.20 0.00 0.21 0.20 2.43 -1.99 -2.54 114.38 113.90 3knt h ARG 170 Ca 0.36 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.52 3knt h ARG 170 Cb -0.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 3knt h ARG 170 CO -0.10 0.30 -0.10 0.87 -1.51 0.00 0.00 179.97 179.43 3knt h LYS 171 N 0.00 -0.27 -1.51 0.20 6.56 0.32 -3.18 116.57 118.68 3knt h LYS 171 Ca -0.00 0.02 0.44 0.00 -1.06 0.00 0.00 60.65 60.04 3knt h LYS 171 Cb 0.75 0.06 -0.06 0.00 -0.57 0.00 0.00 32.23 32.41 3knt h LYS 171 CO 0.04 -0.18 1.26 -0.92 -2.06 0.00 0.00 179.45 177.58 3knt h TYR 172 N -0.66 0.00 0.00 -1.35 5.03 0.66 0.42 116.97 121.07 3knt h TYR 172 Ca -0.03 0.00 -0.15 0.00 2.58 0.00 0.00 58.73 61.13 3knt h TYR 172 Cb 0.22 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.47 3knt h TYR 172 CO 0.03 0.00 -2.06 1.28 -1.32 0.00 0.00 178.16 176.09 3knt n LEU 173 N -3.72 0.10 0.00 2.82 4.32 -0.97 -1.58 117.00 117.98 3knt n LEU 173 Ca 0.34 0.04 -0.12 0.00 -0.02 0.00 0.00 56.01 56.25 3knt n LEU 173 Cb 1.72 0.19 -0.10 0.00 -1.62 0.00 0.00 43.42 43.61 3knt n LEU 173 CO 0.36 0.19 0.48 -0.33 -1.22 0.00 0.00 177.39 176.88 3knt h GLU 174 N 0.00 -0.08 -0.40 3.23 5.08 -0.92 -2.49 114.58 119.00 3knt h GLU 174 Ca -0.22 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.23 3knt h GLU 174 Cb 1.51 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.70 3knt h GLU 174 CO 0.01 0.48 -0.12 0.82 -1.00 0.00 0.00 179.01 179.21 3knt h ILE 175 N -0.75 0.56 -0.50 3.13 2.04 -1.55 -0.83 117.51 119.61 3knt h ILE 175 Ca -0.01 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.99 3knt h ILE 175 Cb 0.60 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3knt h ILE 175 CO 0.01 0.00 0.36 -0.08 0.00 0.00 0.00 178.15 178.45 3knt h GLU 176 N -0.03 0.03 0.11 2.37 4.81 -1.30 -1.77 114.58 118.81 3knt h GLU 176 Ca 0.20 -0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.22 3knt h GLU 176 Cb 0.32 -0.01 0.02 0.00 0.63 0.00 0.00 28.75 29.72 3knt h GLU 176 CO -0.43 0.02 -0.85 -0.91 -0.73 0.00 0.00 179.01 176.11 3knt h ASN 177 N 0.03 0.55 -0.54 1.04 2.35 -0.74 -2.68 115.58 115.60 3knt h ASN 177 Ca 0.24 -0.89 0.10 0.00 -0.55 0.00 0.00 56.30 55.20 3knt h ASN 177 Cb 0.92 -0.18 -0.11 0.00 0.05 0.00 0.00 38.32 39.00 3knt h ASN 177 CO -0.01 1.39 -0.34 0.40 -1.65 0.00 0.00 177.43 177.22 3knt h ILE 178 N -0.20 0.18 -0.99 2.81 2.04 -0.46 -1.00 117.51 119.88 3knt h ILE 178 Ca -0.14 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.81 3knt h ILE 178 Cb 1.62 0.18 -0.07 0.00 -0.74 0.00 0.00 36.82 37.81 3knt h ILE 178 CO 0.16 0.00 0.63 -0.07 0.00 0.00 0.00 178.15 178.87 3knt h LEU 179 N -0.19 0.98 -2.00 1.44 3.38 -1.38 0.82 115.31 118.36 3knt h LEU 179 Ca 0.21 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3knt h LEU 179 Cb 0.55 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3knt h LEU 179 CO -0.64 0.58 0.00 -0.09 0.09 0.00 0.00 178.44 178.38 3knt h ARG 180 N 1.09 0.00 0.12 1.13 2.43 -0.85 0.23 114.38 118.52 3knt h ARG 180 Ca 0.46 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 59.28 3knt h ARG 180 Cb 0.30 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 3knt h ARG 180 CO -0.21 0.00 -1.91 -0.44 -1.51 0.00 0.00 179.97 175.90 3knt h ASP 181 N 0.00 0.38 -0.17 -3.80 3.32 -0.14 -3.12 116.42 112.89 3knt h ASP 181 Ca 0.00 -0.81 0.05 0.00 0.02 0.00 0.00 57.03 56.29 3knt h ASP 181 Cb 0.32 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3knt h ASP 181 CO 0.00 1.72 0.19 0.40 -1.72 0.00 0.00 179.24 179.83 3knt h ILE 182 N 0.07 0.46 -0.10 0.35 2.04 -0.28 -2.80 117.51 117.25 3knt h ILE 182 Ca -0.39 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 3knt h ILE 182 Cb 2.04 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 38.96 3knt h ILE 182 CO 0.10 0.00 -0.09 1.23 0.00 0.00 0.00 178.15 179.40 3knt h GLY 183 N 0.00 0.25 2.00 5.37 0.00 -0.52 -3.17 103.07 107.01 3knt h GLY 183 Ca 0.08 -0.25 -0.07 0.00 0.00 0.00 0.00 47.33 47.09 3knt h GLY 183 CO -0.00 0.23 -0.33 1.05 0.00 0.00 0.00 176.54 177.49 3knt h GLU 184 N -0.17 0.00 -0.52 4.80 4.11 -1.48 0.46 114.58 121.78 3knt h GLU 184 Ca 0.02 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.49 3knt h GLU 184 Cb 0.59 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 3knt h GLU 184 CO 0.02 0.33 0.28 0.93 0.07 0.00 0.00 179.01 180.64 3knt h GLU 185 N 0.00 0.53 -0.00 1.06 4.39 -1.51 -3.07 114.58 115.98 3knt h GLU 185 Ca -0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3knt h GLU 185 Cb 0.69 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 3knt h GLU 185 CO 0.04 0.35 -0.84 1.33 -1.16 0.00 0.00 179.01 178.73 3knt n VAL 186 N -4.85 0.00 -2.70 3.13 0.24 -1.03 -5.02 118.33 108.10 3knt n VAL 186 Ca 0.05 -0.08 -0.10 0.00 -2.04 0.00 0.00 64.34 62.16 3knt n VAL 186 Cb 0.12 1.05 0.05 0.00 -1.47 0.00 0.00 33.84 33.59 3knt n VAL 186 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3knt n ASN 187 N -1.19 -5.12 -4.02 -1.34 4.13 0.15 -5.08 115.26 102.80 3knt n ASN 187 Ca 0.05 -0.48 -0.15 0.00 1.68 0.00 0.00 54.58 55.67 3knt n ASN 187 Cb 0.34 -3.72 -0.13 0.00 -1.54 0.00 0.00 39.78 34.72 3knt n ASN 187 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3knt s LEU 188 N -4.64 2.13 0.65 3.41 1.43 -0.71 -5.02 118.68 115.93 3knt s LEU 188 Ca 0.31 -0.32 -0.16 0.00 -1.03 0.00 0.00 54.13 52.93 3knt s LEU 188 Cb -0.04 -0.25 -0.00 0.00 0.03 0.00 0.00 46.19 45.93 3knt s LEU 188 CO 0.51 -0.05 1.13 -0.54 0.23 0.00 0.00 176.35 177.62 3knt s LYS 189 N -0.83 2.79 0.31 1.70 3.01 -1.26 -4.60 119.74 120.87 3knt s LYS 189 Ca -0.03 1.47 0.05 0.00 -1.01 0.00 0.00 55.97 56.45 3knt s LYS 189 Cb -0.06 -1.94 0.69 0.00 -1.01 0.00 0.00 37.83 35.51 3knt s LYS 189 CO 0.00 -1.27 1.84 -0.07 0.51 0.00 0.00 175.35 176.36 3knt h LEU 190 N 0.16 0.80 -0.60 3.17 3.38 -1.83 0.54 115.31 120.92 3knt h LEU 190 Ca -0.47 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.51 3knt h LEU 190 Cb 1.26 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 3knt h LEU 190 CO 0.54 0.39 0.23 0.77 0.09 0.00 0.00 178.44 180.46 3knt h SER 191 N 0.84 0.83 -0.45 -0.43 4.64 -1.69 -2.24 113.55 115.05 3knt h SER 191 Ca 0.49 -0.18 -0.06 0.00 -0.47 0.00 0.00 61.79 61.58 3knt h SER 191 Cb 0.66 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 3knt h SER 191 CO -0.26 0.78 0.06 -0.33 -0.87 0.00 0.00 176.83 176.21 3knt h GLU 192 N 0.83 0.75 -0.90 4.77 5.08 -1.25 -3.05 114.58 120.81 3knt h GLU 192 Ca 0.20 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3knt h GLU 192 Cb 0.21 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 3knt h GLU 192 CO -0.01 0.78 0.59 1.25 -1.00 0.00 0.00 179.01 180.62 3knt h LEU 193 N 0.61 1.00 -0.86 1.33 5.85 -1.27 -2.39 115.31 119.58 3knt h LEU 193 Ca 0.13 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3knt h LEU 193 Cb 0.41 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 3knt h LEU 193 CO 0.01 0.71 0.44 -0.78 -0.34 0.00 0.00 178.44 178.48 3knt h ASP 194 N 1.18 1.10 0.07 1.25 1.82 -1.29 0.15 116.42 120.69 3knt h ASP 194 Ca 0.35 -0.12 -0.09 0.00 -0.39 0.00 0.00 57.03 56.78 3knt h ASP 194 Cb -0.06 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 39.65 3knt h ASP 194 CO -0.10 0.91 -0.28 -0.07 -1.61 0.00 0.00 179.24 178.09 3knt h LEU 195 N 1.21 0.34 0.17 2.28 3.38 -1.46 -0.42 115.31 120.81 3knt h LEU 195 Ca 0.30 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3knt h LEU 195 Cb 0.08 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3knt h LEU 195 CO -0.04 0.62 -0.08 1.88 0.09 0.00 0.00 178.44 180.90 3knt h TYR 196 N 0.30 -0.21 -0.59 1.13 -1.99 -0.73 -2.26 116.97 112.62 3knt h TYR 196 Ca 0.04 -0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.77 3knt h TYR 196 Cb 0.65 0.07 -0.03 0.00 2.00 0.00 0.00 36.73 39.42 3knt h TYR 196 CO 0.02 0.18 0.39 0.82 -0.00 0.00 0.00 178.16 179.56 3knt h ILE 197 N -0.67 1.15 -0.52 -2.88 2.04 -0.73 -2.61 117.51 113.28 3knt h ILE 197 Ca -0.02 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.60 3knt h ILE 197 Cb 0.49 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 3knt h ILE 197 CO 0.04 0.15 0.28 -0.25 0.00 0.00 0.00 178.15 178.37 3knt h TRP 198 N 0.80 0.52 -0.71 1.37 7.01 -1.11 -2.59 115.95 121.24 3knt h TRP 198 Ca 0.22 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.23 3knt h TRP 198 Cb -0.09 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 26.78 3knt h TRP 198 CO -0.03 0.27 0.43 -0.92 -2.79 0.00 0.00 178.44 175.40 3knt h TYR 199 N 0.55 0.93 -0.40 2.65 5.03 -1.11 -0.24 116.97 124.38 3knt h TYR 199 Ca 0.22 0.00 0.08 0.00 2.58 0.00 0.00 58.73 61.62 3knt h TYR 199 Cb 0.10 -0.30 -0.08 0.00 1.55 0.00 0.00 36.73 37.99 3knt h TYR 199 CO -0.09 0.62 -0.17 -0.07 -1.32 0.00 0.00 178.16 177.13 3knt h LEU 200 N 0.96 -0.59 -0.73 2.82 3.38 -1.11 2.38 115.31 122.43 3knt h LEU 200 Ca 0.25 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.36 3knt h LEU 200 Cb -0.04 0.33 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3knt h LEU 200 CO -0.05 -0.20 0.40 -0.09 0.09 0.00 0.00 178.44 178.59 3knt h ARG 201 N -0.09 1.02 -0.00 1.13 9.65 -1.14 -3.36 114.38 121.59 3knt h ARG 201 Ca 0.20 -0.12 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 3knt h ARG 201 Cb 0.39 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.77 3knt h ARG 201 CO -0.46 0.75 -0.07 0.25 2.80 0.00 0.00 179.97 183.24 3knt n THR 202 N -4.47 0.00 -1.03 0.20 -2.24 -0.16 -4.98 114.28 101.60 3knt n THR 202 Ca 0.06 -0.46 -0.07 0.00 -2.27 0.00 0.00 64.05 61.31 3knt n THR 202 Cb 0.09 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.30 3knt n THR 202 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3knt n GLY 203 N 0.92 0.63 3.25 3.38 0.00 0.79 -4.93 105.19 109.24 3knt n GLY 203 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 3knt n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knt s LYS 204 N -2.23 1.07 -0.45 1.61 1.02 -1.26 -5.05 119.74 114.45 3knt s LYS 204 Ca 0.00 -1.09 0.03 0.00 0.02 0.00 0.00 55.97 54.93 3knt s LYS 204 Cb 0.00 -1.26 0.15 0.00 -0.52 0.00 0.00 37.83 36.20 3knt s LYS 204 CO 0.00 0.29 0.29 0.08 -0.92 0.00 0.00 175.35 175.10 3knt s VAL 205 N -1.15 1.14 0.00 3.17 1.01 -1.26 -4.07 120.40 119.24 3knt s VAL 205 Ca 0.05 -2.66 0.00 0.00 0.00 0.00 0.00 61.98 59.36 3knt s VAL 205 Cb -0.10 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.49 3knt s VAL 205 CO 0.04 -1.01 0.00 0.18 0.00 0.00 0.00 175.10 174.31 3knt n LEU 206 N 3.25 0.00 0.00 3.92 4.77 -1.26 -5.05 117.00 122.63 3knt n LEU 206 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 3knt n LEU 206 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 3knt n LEU 206 CO 0.19 0.00 0.00 2.29 -1.33 0.00 0.00 177.39 178.54