#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knt h LEU 3 N 0.00 0.17 -0.02 4.03 5.85 -1.97 0.36 115.31 123.72 3knt h LEU 3 Ca 0.00 0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.91 3knt h LEU 3 Cb 0.00 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 3knt h LEU 3 CO 0.00 -0.03 -0.35 0.40 -0.34 0.00 0.00 178.44 178.12 3knt h ILE 4 N 0.33 0.25 -0.36 4.05 1.08 -1.99 -1.47 117.51 119.41 3knt h ILE 4 Ca 0.50 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 65.04 3knt h ILE 4 Cb 0.91 0.25 -0.07 0.00 -3.07 0.00 0.00 36.82 34.84 3knt h ILE 4 CO -0.53 0.00 -0.09 0.50 -0.69 0.00 0.00 178.15 177.33 3knt h LYS 5 N -0.49 -0.01 -0.50 2.37 3.64 -1.43 -0.40 116.57 119.75 3knt h LYS 5 Ca 0.06 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.53 3knt h LYS 5 Cb 0.59 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.34 3knt h LYS 5 CO -0.30 -0.00 0.13 0.87 -2.27 0.00 0.00 179.45 177.87 3knt h LYS 6 N -0.01 0.26 -0.48 1.90 1.57 -0.69 -2.11 116.57 117.02 3knt h LYS 6 Ca 0.17 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.85 3knt h LYS 6 Cb 0.27 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 3knt h LYS 6 CO -0.37 0.18 -0.06 0.82 -0.57 0.00 0.00 179.45 179.45 3knt h ILE 7 N 0.27 1.27 -0.84 1.86 2.04 -0.70 -2.75 117.51 118.66 3knt h ILE 7 Ca 0.25 -1.16 0.17 0.00 1.00 0.00 0.00 64.86 65.12 3knt h ILE 7 Cb 0.32 1.05 -0.10 0.00 -0.74 0.00 0.00 36.82 37.34 3knt h ILE 7 CO -0.30 0.40 0.38 -0.33 0.00 0.00 0.00 178.15 178.30 3knt h GLU 8 N 0.74 0.48 0.00 2.37 4.39 -0.42 -0.13 114.58 122.01 3knt h GLU 8 Ca 0.13 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.73 3knt h GLU 8 Cb 0.59 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 3knt h GLU 8 CO 0.04 0.32 -0.34 0.93 -1.16 0.00 0.00 179.01 178.80 3knt h GLU 9 N 0.50 0.00 -0.10 2.33 4.39 -1.31 -2.94 114.58 117.44 3knt h GLU 9 Ca 0.48 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.99 3knt h GLU 9 Cb 0.77 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.42 3knt h GLU 9 CO -0.43 0.34 -0.73 -0.07 -1.16 0.00 0.00 179.01 176.96 3knt h LEU 10 N 0.00 0.59 -2.19 1.33 3.38 -0.91 0.54 115.31 118.05 3knt h LEU 10 Ca -0.00 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 3knt h LEU 10 Cb 1.22 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 3knt h LEU 10 CO 0.04 1.13 -0.01 0.11 0.09 0.00 0.00 178.44 179.80 3knt h LYS 11 N 0.34 0.00 0.00 1.13 1.57 -0.96 -2.91 116.57 115.73 3knt h LYS 11 Ca -0.03 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 3knt h LYS 11 Cb 1.31 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.61 3knt h LYS 11 CO 0.13 0.01 -0.40 -0.91 -0.57 0.00 0.00 179.45 177.72 3knt h ASN 12 N 0.00 0.00 -3.32 0.86 2.35 -1.29 -3.43 115.58 110.75 3knt h ASN 12 Ca -0.00 -0.41 -0.53 0.00 -0.55 0.00 0.00 56.30 54.80 3knt h ASN 12 Cb 0.03 0.00 0.22 0.00 0.05 0.00 0.00 38.32 38.61 3knt h ASN 12 CO 0.00 0.93 -0.65 -1.54 -1.65 0.00 0.00 177.43 174.52 3knt n SER 13 N -4.62 -2.33 -0.13 5.81 3.41 0.19 -4.76 113.62 111.19 3knt n SER 13 Ca -0.12 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 3knt n SER 13 Cb 0.35 -1.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.12 3knt n SER 13 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3knt n GLU 14 N -1.43 0.38 0.11 4.33 1.02 -1.26 -2.10 120.64 121.69 3knt n GLU 14 Ca 0.06 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.04 3knt n GLU 14 Cb 0.54 -1.05 -0.13 0.00 -0.02 0.00 0.00 31.44 30.77 3knt n GLU 14 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3knt h ILE 15 N 0.00 1.47 -0.07 -3.67 1.08 -1.86 -3.23 117.51 111.23 3knt h ILE 15 Ca 0.00 -2.98 0.02 0.00 -0.39 0.00 0.00 64.86 61.51 3knt h ILE 15 Cb 0.05 2.92 -0.00 0.00 -3.07 0.00 0.00 36.82 36.72 3knt h ILE 15 CO 0.00 0.87 0.09 0.50 -0.69 0.00 0.00 178.15 178.93 3knt h LYS 16 N 0.09 0.00 -0.10 2.37 3.11 -1.31 -0.91 116.57 119.83 3knt h LYS 16 Ca -0.14 0.00 -0.13 0.00 -2.81 0.00 0.00 60.65 57.57 3knt h LYS 16 Cb 1.96 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 33.18 3knt h LYS 16 CO 0.21 0.00 -0.51 -0.44 -2.81 0.00 0.00 179.45 175.90 3knt h ASP 17 N 0.00 0.28 0.13 4.20 3.45 -1.77 -3.14 116.42 119.58 3knt h ASP 17 Ca 0.03 -0.14 -0.19 0.00 0.43 0.00 0.00 57.03 57.17 3knt h ASP 17 Cb 0.22 -0.08 0.02 0.00 -0.56 0.00 0.00 39.33 38.93 3knt h ASP 17 CO -0.00 0.74 -0.83 0.40 -1.57 0.00 0.00 179.24 177.98 3knt h ILE 18 N 0.21 1.48 -0.59 0.35 2.04 -1.33 -3.12 117.51 116.55 3knt h ILE 18 Ca 0.01 -2.52 0.17 0.00 1.00 0.00 0.00 64.86 63.52 3knt h ILE 18 Cb 0.97 3.16 -0.02 0.00 -0.74 0.00 0.00 36.82 40.19 3knt h ILE 18 CO 0.08 0.71 0.44 0.40 0.00 0.00 0.00 178.15 179.78 3knt h ILE 19 N -0.40 0.66 0.00 -0.67 2.04 -1.50 -0.90 117.51 116.74 3knt h ILE 19 Ca -0.15 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.71 3knt h ILE 19 Cb 1.62 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 3knt h ILE 19 CO 0.13 0.00 -1.04 0.47 0.00 0.00 0.00 178.15 177.72 3knt n ASP 20 N -4.28 0.63 0.22 1.72 8.00 -1.19 0.20 116.55 121.85 3knt n ASP 20 Ca 0.11 -0.34 0.14 0.00 0.71 0.00 0.00 54.79 55.41 3knt n ASP 20 Cb 0.68 0.86 0.42 0.00 -0.02 0.00 0.00 41.12 43.06 3knt n ASP 20 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 3knt h LYS 21 N 0.00 0.00 0.03 -1.24 3.64 -1.14 -2.87 116.57 115.00 3knt h LYS 21 Ca 0.00 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.08 3knt h LYS 21 Cb 0.68 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.47 3knt h LYS 21 CO 0.00 0.00 -1.67 -2.13 -2.27 0.00 0.00 179.45 173.38 3knt n ARG 22 N -2.92 0.62 -0.30 1.90 3.00 -0.60 -2.58 116.66 115.78 3knt n ARG 22 Ca 0.03 0.44 -0.00 0.00 -0.00 0.00 0.00 57.85 58.31 3knt n ARG 22 Cb 0.41 -1.69 0.13 0.00 0.00 0.00 0.00 32.46 31.30 3knt n ARG 22 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 3knt h ILE 23 N -0.69 1.07 0.00 5.15 1.08 -0.34 -0.20 117.51 123.59 3knt h ILE 23 Ca -0.43 -0.34 -0.09 0.00 -0.39 0.00 0.00 64.86 63.62 3knt h ILE 23 Cb 1.56 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.30 3knt h ILE 23 CO -0.16 0.18 -0.42 1.56 -0.69 0.00 0.00 178.15 178.62 3knt h GLN 24 N 0.99 0.00 0.00 2.37 1.08 -1.69 -2.73 115.11 115.13 3knt h GLN 24 Ca 0.36 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.55 3knt h GLN 24 Cb 0.11 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.54 3knt h GLN 24 CO -0.15 0.42 -0.00 1.49 -0.95 0.00 0.00 178.83 179.64 3knt h GLU 25 N 0.00 0.00 0.00 1.46 4.22 -0.79 -2.43 114.58 117.04 3knt h GLU 25 Ca -0.00 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.39 3knt h GLU 25 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 3knt h GLU 25 CO 0.05 0.00 -0.28 0.74 -2.18 0.00 0.00 179.01 177.35 3knt h PHE 26 N 0.00 0.00 -1.20 0.92 0.04 -1.12 -3.37 116.94 112.21 3knt h PHE 26 Ca -0.00 0.00 0.34 0.00 2.80 0.00 0.00 57.97 61.11 3knt h PHE 26 Cb 0.01 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.08 3knt h PHE 26 CO 0.00 0.82 0.82 0.87 -0.60 0.00 0.00 178.31 180.22 3knt h LYS 27 N -1.00 0.15 0.00 1.51 1.79 -1.16 0.99 116.57 118.85 3knt h LYS 27 Ca -0.07 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 3knt h LYS 27 Cb 0.82 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 3knt h LYS 27 CO -0.04 0.10 0.00 -1.13 -1.08 0.00 0.00 179.45 177.30 3knt n SER 28 N -4.41 0.36 0.00 0.86 3.41 -0.95 -2.31 113.62 110.59 3knt n SER 28 Ca 0.28 0.64 0.02 0.00 -0.26 0.00 0.00 58.87 59.56 3knt n SER 28 Cb 1.18 -0.70 0.09 0.00 -0.26 0.00 0.00 64.21 64.52 3knt n SER 28 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3knt n PHE 29 N -1.96 0.00 0.30 7.33 3.72 0.34 -0.43 117.46 126.77 3knt n PHE 29 Ca 0.00 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.54 3knt n PHE 29 Cb 0.07 -0.47 0.65 0.00 -0.94 0.00 0.00 39.48 38.79 3knt n PHE 29 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3knt h LYS 30 N 0.00 0.00 -0.14 -1.08 3.11 -1.70 -2.40 116.57 114.37 3knt h LYS 30 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 3knt h LYS 30 Cb 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.30 3knt h LYS 30 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 179.45 176.73 3knt n ASN 31 N -2.52 2.81 -4.87 4.20 3.02 0.43 -5.03 115.26 113.30 3knt n ASN 31 Ca 0.00 -2.61 -0.21 0.00 -0.03 0.00 0.00 54.58 51.73 3knt n ASN 31 Cb 0.17 -0.33 -0.03 0.00 -0.61 0.00 0.00 39.78 38.98 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 -2.08 2.98 0.69 3.52 1.02 -0.90 -5.12 119.74 119.85 3knt s LYS 32 Ca 0.26 -1.06 -0.09 0.00 0.02 0.00 0.00 55.97 55.10 3knt s LYS 32 Cb 0.20 -2.62 0.03 0.00 -0.52 0.00 0.00 37.83 34.92 3knt s LYS 32 CO 0.06 0.31 1.04 0.45 -0.92 0.00 0.00 175.35 176.29 3knt s SER 33 N -3.93 5.28 0.33 2.83 0.15 -1.26 -4.88 113.70 112.22 3knt s SER 33 Ca 0.36 0.87 0.03 0.00 0.70 0.00 0.00 55.95 57.92 3knt s SER 33 Cb -0.08 -1.67 0.63 0.00 -1.71 0.00 0.00 66.02 63.20 3knt s SER 33 CO 0.26 -1.37 1.94 0.78 1.20 0.00 0.00 173.24 176.05 3knt h ASN 34 N -0.56 0.79 -0.49 5.45 2.35 -1.99 -1.34 115.58 119.79 3knt h ASN 34 Ca -0.45 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.28 3knt h ASN 34 Cb 1.27 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 39.46 3knt h ASN 34 CO 0.63 0.51 0.20 -0.33 -1.65 0.00 0.00 177.43 176.79 3knt h GLU 35 N 0.90 0.73 0.19 0.81 3.07 -1.94 0.67 114.58 119.00 3knt h GLU 35 Ca 0.35 -0.13 -0.00 0.00 -0.50 0.00 0.00 59.36 59.08 3knt h GLU 35 Cb 0.21 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 3knt h GLU 35 CO -0.12 0.65 -0.13 0.93 -1.40 0.00 0.00 179.01 178.93 3knt h GLU 36 N 0.65 -0.31 -0.42 2.33 4.39 -1.76 0.42 114.58 119.88 3knt h GLU 36 Ca 0.17 0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.96 3knt h GLU 36 Cb 0.18 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.84 3knt h GLU 36 CO -0.01 -0.21 0.05 -1.49 -1.16 0.00 0.00 179.01 176.19 3knt h TRP 37 N -0.32 0.08 -0.61 4.33 4.06 -1.12 -0.96 115.95 121.40 3knt h TRP 37 Ca -0.01 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.97 3knt h TRP 37 Cb 0.28 0.03 -0.03 0.00 -1.00 0.00 0.00 29.16 28.44 3knt h TRP 37 CO -0.10 -0.03 0.40 0.35 -3.56 0.00 0.00 178.44 175.50 3knt h PHE 38 N 0.18 0.77 -0.08 0.49 3.57 -0.55 -0.86 116.94 120.46 3knt h PHE 38 Ca 0.21 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.75 3knt h PHE 38 Cb 0.27 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 3knt h PHE 38 CO -0.23 0.50 0.08 0.87 -2.23 0.00 0.00 178.31 177.29 3knt h LYS 39 N 0.83 0.00 0.05 1.11 1.57 0.81 -0.18 116.57 120.76 3knt h LYS 39 Ca 0.22 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.73 3knt h LYS 39 Cb -0.08 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.25 3knt h LYS 39 CO -0.05 0.00 -1.11 0.93 -0.57 0.00 0.00 179.45 178.66 3knt h GLU 40 N 0.00 0.59 -0.57 3.15 4.39 0.09 -2.50 114.58 119.73 3knt h GLU 40 Ca 0.04 -0.70 0.03 0.00 0.34 0.00 0.00 59.36 59.06 3knt h GLU 40 Cb 0.20 0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 29.02 3knt h GLU 40 CO -0.00 1.30 0.34 1.25 -1.16 0.00 0.00 179.01 180.73 3knt h LEU 41 N 0.30 0.54 -0.57 1.33 5.85 -0.11 -2.11 115.31 120.53 3knt h LEU 41 Ca -0.14 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3knt h LEU 41 Cb 1.76 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.66 3knt h LEU 41 CO 0.21 0.37 0.36 0.00 -0.34 0.00 0.00 178.44 179.04 3knt h PHE 43 N 0.77 1.01 -0.27 0.00 3.57 -0.96 0.20 116.94 121.28 3knt h PHE 43 Ca 0.21 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.65 3knt h PHE 43 Cb -0.05 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.36 3knt h PHE 43 CO -0.03 0.35 -0.15 0.00 -2.23 0.00 0.00 178.31 176.25 3knt h ILE 45 N 0.32 1.16 0.00 0.00 2.04 0.05 -1.80 117.51 119.28 3knt h ILE 45 Ca 0.06 -0.36 -0.06 0.00 1.00 0.00 0.00 64.86 65.50 3knt h ILE 45 Cb 0.68 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 3knt h ILE 45 CO 0.04 0.19 -0.27 -0.07 0.00 0.00 0.00 178.15 178.04 3knt h LEU 46 N 1.05 0.00 -0.02 1.44 3.38 -0.56 -3.32 115.31 117.28 3knt h LEU 46 Ca 0.32 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.05 3knt h LEU 46 Cb -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3knt h LEU 46 CO -0.08 0.27 -1.08 0.74 0.09 0.00 0.00 178.44 178.37 3knt h THR 47 N 0.00 1.54 -1.66 0.22 2.02 -0.39 -3.43 112.91 111.21 3knt h THR 47 Ca -0.00 -2.99 -0.68 0.00 0.77 0.00 0.00 66.41 63.50 3knt h THR 47 Cb 1.05 2.77 0.06 0.00 -1.74 0.00 0.00 68.15 70.29 3knt h THR 47 CO 0.04 0.87 0.34 0.00 0.37 0.00 0.00 175.52 177.14 3knt n ALA 48 N -2.48 -1.26 -4.24 6.16 0.00 -1.14 -0.39 120.51 117.17 3knt n ALA 48 Ca -0.05 0.51 -0.37 0.00 0.00 0.00 0.00 53.44 53.53 3knt n ALA 48 Cb 0.94 -2.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.34 3knt n ALA 48 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3knt n ASN 49 N 2.27 -3.09 -0.06 0.00 5.15 -1.26 -4.90 115.26 113.37 3knt n ASN 49 Ca 0.18 -1.01 0.00 0.00 -0.60 0.00 0.00 54.58 53.14 3knt n ASN 49 Cb 0.19 -2.55 0.00 0.00 -0.53 0.00 0.00 39.78 36.90 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 -4.29 0.00 -5.11 1.20 7.35 0.48 -5.00 117.46 112.09 3knt n PHE 50 Ca 0.08 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.46 3knt n PHE 50 Cb 0.48 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 40.16 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 -0.97 2.45 0.11 -2.13 2.01 -1.26 -5.03 115.64 110.82 3knt s THR 51 Ca 0.00 -0.93 -0.23 0.00 0.31 0.00 0.00 61.69 60.84 3knt s THR 51 Cb 0.00 -1.92 -0.07 0.00 0.01 0.00 0.00 72.50 70.51 3knt s THR 51 CO 0.00 0.57 1.69 0.00 -0.69 0.00 0.00 174.62 176.19 3knt h ALA 52 N 5.85 -0.08 -0.28 7.40 0.00 -1.93 0.20 119.26 130.42 3knt h ALA 52 Ca -0.37 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.61 3knt h ALA 52 Cb 1.16 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 19.07 3knt h ALA 52 CO 0.49 -0.58 -0.45 0.93 0.00 0.00 0.00 179.25 179.63 3knt h GLU 53 N -0.16 -0.41 -0.95 0.00 5.08 -1.97 0.41 114.58 116.58 3knt h GLU 53 Ca 0.05 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.54 3knt h GLU 53 Cb 0.22 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.49 3knt h GLU 53 CO -0.13 -0.27 0.59 0.78 -1.00 0.00 0.00 179.01 178.97 3knt h GLY 54 N -0.43 1.52 1.03 -3.84 0.00 -1.92 -0.73 103.07 98.71 3knt h GLY 54 Ca 0.10 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 3knt h GLY 54 CO -0.50 0.18 0.33 -1.33 0.00 0.00 0.00 176.54 175.22 3knt h GLY 55 N 0.97 1.21 0.77 4.60 0.00 0.12 -0.82 103.07 109.91 3knt h GLY 55 Ca 0.46 -0.64 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 3knt h GLY 55 CO -0.25 0.60 -0.05 -2.22 0.00 0.00 0.00 176.54 174.63 3knt h ILE 56 N 1.09 1.03 0.16 2.60 1.08 0.87 -1.72 117.51 122.62 3knt h ILE 56 Ca 0.26 -0.51 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 3knt h ILE 56 Cb 0.18 1.36 -0.02 0.00 -3.07 0.00 0.00 36.82 35.26 3knt h ILE 56 CO -0.02 0.12 -0.32 0.03 -0.69 0.00 0.00 178.15 177.27 3knt h ARG 57 N -0.37 -0.49 -1.07 2.37 3.08 -1.08 -0.65 114.38 116.16 3knt h ARG 57 Ca -0.01 0.03 0.31 0.00 0.07 0.00 0.00 59.98 60.38 3knt h ARG 57 Cb 0.31 0.11 -0.12 0.00 0.08 0.00 0.00 29.97 30.35 3knt h ARG 57 CO 0.02 -0.33 0.66 0.82 -1.07 0.00 0.00 179.97 180.07 3knt h ILE 58 N -0.51 0.38 0.31 2.04 2.04 -1.17 0.37 117.51 120.96 3knt h ILE 58 Ca -0.02 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 3knt h ILE 58 Cb 0.49 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 3knt h ILE 58 CO -0.13 0.06 -0.15 -0.61 0.00 0.00 0.00 178.15 177.33 3knt h GLN 59 N 0.34 -0.40 -0.76 2.37 4.15 -0.78 -2.06 115.11 117.97 3knt h GLN 59 Ca 0.69 0.03 0.00 0.00 0.77 0.00 0.00 58.65 60.14 3knt h GLN 59 Cb 1.72 0.09 -0.04 0.00 0.21 0.00 0.00 27.48 29.46 3knt h GLN 59 CO -0.45 -0.06 0.48 -0.22 -1.93 0.00 0.00 178.83 176.65 3knt h LYS 60 N -0.85 1.01 -0.05 1.69 3.64 0.40 0.40 116.57 122.80 3knt h LYS 60 Ca -0.04 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.15 3knt h LYS 60 Cb 0.52 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3knt h LYS 60 CO 0.07 0.68 -0.49 0.93 -2.27 0.00 0.00 179.45 178.37 3knt h GLU 61 N 1.03 0.14 0.02 1.90 4.39 -0.39 -3.30 114.58 118.38 3knt h GLU 61 Ca 0.28 -0.08 -0.35 0.00 0.34 0.00 0.00 59.36 59.55 3knt h GLU 61 Cb -0.09 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.51 3knt h GLU 61 CO -0.06 0.60 -2.18 -0.89 -1.16 0.00 0.00 179.01 175.33 3knt n ILE 62 N -3.96 1.54 0.00 3.13 5.41 -0.78 -5.02 119.36 119.68 3knt n ILE 62 Ca -0.02 -0.74 0.00 0.00 1.00 0.00 0.00 62.75 62.99 3knt n ILE 62 Cb 0.52 -1.05 0.00 0.00 -0.71 0.00 0.00 39.64 38.40 3knt n ILE 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3knt n GLY 63 N 1.87 3.68 0.00 7.39 0.00 0.14 -0.44 105.19 117.83 3knt n GLY 63 Ca -0.32 0.11 0.06 0.00 0.00 0.00 0.00 46.02 45.86 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 6.15 0.00 0.26 1.61 10.43 -1.26 -3.19 116.55 130.54 3knt n ASP 64 Ca 0.00 -1.60 0.12 0.00 2.57 0.00 0.00 54.79 55.88 3knt n ASP 64 Cb 0.00 0.00 0.70 0.00 1.84 0.00 0.00 41.12 43.66 3knt n ASP 64 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 3knt h GLY 65 N 5.50 0.00 2.00 0.44 0.00 -1.15 -1.68 103.07 108.18 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 0.74 0.00 0.00 0.00 176.54 177.28 3knt h PHE 66 N 0.00 0.00 0.00 5.60 0.05 -1.73 -1.70 116.94 119.15 3knt h PHE 66 Ca -0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 3knt h PHE 66 Cb 0.38 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.33 3knt h PHE 66 CO 0.00 0.00 0.00 -0.11 -0.18 0.00 0.00 178.31 178.02 3knt n LEU 67 N -2.42 0.98 0.00 1.54 0.00 -0.64 -4.76 117.00 111.70 3knt n LEU 67 Ca -0.01 -0.98 0.00 0.00 0.00 0.00 0.00 56.01 55.02 3knt n LEU 67 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.50 3knt n LEU 67 CO 0.13 0.24 -0.13 0.35 0.00 0.00 0.00 177.39 177.99 3knt n THR 68 N -0.06 0.00 -2.42 1.96 -2.24 -1.12 -5.08 114.28 105.32 3knt n THR 68 Ca 0.00 -0.02 -0.41 0.00 -2.27 0.00 0.00 64.05 61.35 3knt n THR 68 Cb 0.07 0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.52 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 -0.83 4.45 0.87 3.22 1.43 -0.66 -5.03 118.68 122.13 3knt s LEU 69 Ca 0.00 2.16 -0.10 0.00 -1.03 0.00 0.00 54.13 55.16 3knt s LEU 69 Cb 0.00 -3.60 0.12 0.00 0.03 0.00 0.00 46.19 42.74 3knt s LEU 69 CO 0.00 -0.35 1.14 -2.84 0.23 0.00 0.00 176.35 174.53 3knt s PRO 70 N -0.05 1.36 0.26 1.29 0.02 -1.26 -4.63 135.00 131.99 3knt s PRO 70 Ca 0.53 1.48 -0.03 0.00 0.02 0.00 0.00 61.00 63.00 3knt s PRO 70 Cb -0.31 -1.77 0.39 0.00 0.02 0.00 0.00 34.50 32.83 3knt s PRO 70 CO 0.35 -2.36 1.87 -0.09 -0.33 0.00 0.00 177.00 176.44 3knt h ARG 71 N -1.61 1.10 -0.03 5.54 2.43 -1.95 0.40 114.38 120.25 3knt h ARG 71 Ca -0.43 -0.07 -0.25 0.00 -0.81 0.00 0.00 59.98 58.42 3knt h ARG 71 Cb 1.26 -0.25 0.02 0.00 -0.42 0.00 0.00 29.97 30.58 3knt h ARG 71 CO 0.44 0.73 -0.97 0.93 -1.51 0.00 0.00 179.97 179.59 3knt h GLU 72 N 1.13 0.67 -0.13 0.20 5.08 -1.98 -2.05 114.58 117.51 3knt h GLU 72 Ca 0.42 -0.68 -0.23 0.00 -1.00 0.00 0.00 59.36 57.88 3knt h GLU 72 Cb 0.17 0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.61 3knt h GLU 72 CO -0.17 1.27 -0.82 0.93 -1.00 0.00 0.00 179.01 179.22 3knt h GLU 73 N 0.40 0.76 -0.34 2.33 5.08 -1.82 -2.76 114.58 118.22 3knt h GLU 73 Ca -0.10 -0.65 -0.04 0.00 -1.00 0.00 0.00 59.36 57.56 3knt h GLU 73 Cb 1.61 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.99 3knt h GLU 73 CO 0.19 1.25 0.04 1.25 -1.00 0.00 0.00 179.01 180.74 3knt h LEU 74 N 0.51 0.56 -0.94 1.33 5.85 -0.31 -2.88 115.31 119.42 3knt h LEU 74 Ca -0.06 -0.27 0.14 0.00 0.84 0.00 0.00 57.88 58.52 3knt h LEU 74 Cb 1.45 -0.15 -0.09 0.00 0.37 0.00 0.00 40.66 42.24 3knt h LEU 74 CO 0.17 0.69 0.56 -0.08 -0.34 0.00 0.00 178.44 179.43 3knt h GLU 75 N 0.40 0.80 -0.18 1.25 4.81 -1.37 -2.43 114.58 117.86 3knt h GLU 75 Ca 0.10 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 3knt h GLU 75 Cb 0.38 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3knt h GLU 75 CO 0.01 0.53 -0.02 1.49 -0.73 0.00 0.00 179.01 180.29 3knt h GLU 76 N 0.82 0.33 -0.77 1.92 4.57 -1.33 -2.55 114.58 117.58 3knt h GLU 76 Ca 0.49 -0.12 0.11 0.00 -1.18 0.00 0.00 59.36 58.66 3knt h GLU 76 Cb 0.61 -0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 29.09 3knt h GLU 76 CO -0.31 0.57 0.40 0.87 -1.18 0.00 0.00 179.01 179.35 3knt h LYS 77 N 0.07 0.63 -0.82 1.92 1.57 -1.25 0.24 116.57 118.94 3knt h LYS 77 Ca 0.05 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3knt h LYS 77 Cb 0.43 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 3knt h LYS 77 CO 0.01 0.42 0.51 -0.07 -0.57 0.00 0.00 179.45 179.75 3knt h LEU 78 N 0.65 0.97 -1.27 2.94 3.38 -1.35 -0.45 115.31 120.17 3knt h LEU 78 Ca 0.39 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 3knt h LEU 78 Cb 0.43 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3knt h LEU 78 CO -0.29 0.73 0.43 0.50 0.09 0.00 0.00 178.44 179.90 3knt h LYS 79 N 1.12 0.92 0.21 1.13 1.63 -0.59 -2.66 116.57 118.33 3knt h LYS 79 Ca 0.30 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 60.02 3knt h LYS 79 Cb -0.07 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.36 3knt h LYS 79 CO -0.06 0.63 -0.10 -0.91 -3.45 0.00 0.00 179.45 175.57 3knt h ASN 80 N 0.94 -0.24 0.00 4.20 2.35 0.37 -3.10 115.58 120.10 3knt h ASN 80 Ca 0.25 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3knt h ASN 80 Cb -0.06 0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3knt h ASN 80 CO -0.05 0.10 0.00 0.18 -1.65 0.00 0.00 177.43 176.01 3knt n LEU 81 N -5.08 0.00 -2.54 1.61 4.77 -0.58 -4.86 117.00 110.33 3knt n LEU 81 Ca -0.09 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.79 3knt n LEU 81 Cb 0.23 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.37 3knt n LEU 81 CO 0.32 0.00 0.06 0.61 -1.33 0.00 0.00 177.39 177.05 3knt n GLY 82 N 0.14 -0.12 3.81 -0.72 0.00 -1.13 -4.95 105.19 102.21 3knt n GLY 82 Ca 0.06 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.23 3.75 0.11 1.61 5.04 -1.02 -5.01 115.29 116.56 3knt s HIS 83 Ca 0.05 1.31 -0.23 0.00 -1.54 0.00 0.00 55.06 54.66 3knt s HIS 83 Cb -0.01 -2.54 -0.08 0.00 0.04 0.00 0.00 32.58 30.00 3knt s HIS 83 CO 0.46 0.50 1.70 0.00 -2.34 0.00 0.00 174.74 175.05 3knt h ARG 84 N 4.09 -0.12 -3.29 2.88 3.08 -1.94 -3.37 114.38 115.71 3knt h ARG 84 Ca -0.49 0.01 -0.64 0.00 0.07 0.00 0.00 59.98 58.93 3knt h ARG 84 Cb 1.20 0.03 -0.41 0.00 0.08 0.00 0.00 29.97 30.87 3knt h ARG 84 CO 0.65 -0.08 -0.58 -0.06 -1.07 0.00 0.00 179.97 178.82 3knt s PHE 85 N -6.17 3.34 -0.05 3.04 0.40 -1.26 -4.94 117.98 112.34 3knt s PHE 85 Ca -0.14 -3.21 -0.20 0.00 -0.60 0.00 0.00 56.93 52.78 3knt s PHE 85 Cb 0.08 -2.82 -0.31 0.00 0.51 0.00 0.00 43.02 40.48 3knt s PHE 85 CO 0.67 -0.68 0.87 0.10 0.70 0.00 0.00 175.22 176.87 3knt h TYR 86 N 6.14 0.59 0.40 0.36 -0.00 -1.92 -2.99 116.97 119.55 3knt h TYR 86 Ca 0.00 -0.43 -0.01 0.00 -0.00 0.00 0.00 58.73 58.30 3knt h TYR 86 Cb 0.85 -0.02 -0.01 0.00 -0.00 0.00 0.00 36.73 37.54 3knt h TYR 86 CO 0.59 1.37 -0.31 0.00 -0.00 0.00 0.00 178.16 179.81 3knt h ARG 87 N -0.30 -0.68 0.59 0.10 -0.00 -1.92 -1.95 114.38 110.21 3knt h ARG 87 Ca -0.18 0.05 -0.03 0.00 -0.50 0.00 0.00 59.98 59.32 3knt h ARG 87 Cb 1.72 0.16 0.01 0.00 0.00 0.00 0.00 29.97 31.85 3knt h ARG 87 CO 0.16 -0.46 -0.28 -0.22 0.00 0.00 0.00 179.97 179.17 3knt h LYS 88 N -0.71 -0.76 -0.13 0.04 1.63 -2.00 -2.68 116.57 111.97 3knt h LYS 88 Ca -0.03 0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.83 3knt h LYS 88 Cb 0.62 0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.41 3knt h LYS 88 CO -0.01 -0.45 0.09 0.00 -3.45 0.00 0.00 179.45 175.63 3knt h ARG 89 N -1.01 0.11 -0.17 1.90 2.47 -1.60 0.42 114.38 116.50 3knt h ARG 89 Ca -0.08 -0.01 -0.13 0.00 -1.26 0.00 0.00 59.98 58.50 3knt h ARG 89 Cb 0.66 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.95 3knt h ARG 89 CO 0.13 0.07 -0.45 0.00 0.56 0.00 0.00 179.97 180.29 3knt h ALA 90 N 1.93 0.91 -0.65 0.04 0.00 -1.33 -2.56 119.26 117.59 3knt h ALA 90 Ca 0.05 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 3knt h ALA 90 Cb 0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3knt h ALA 90 CO -0.01 0.64 0.17 1.49 0.00 0.00 0.00 179.25 181.55 3knt h GLU 91 N 0.35 1.04 -0.36 0.00 4.81 -0.58 -2.77 114.58 117.07 3knt h GLU 91 Ca 0.02 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 58.98 3knt h GLU 91 Cb 0.93 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 3knt h GLU 91 CO 0.08 0.93 0.10 1.88 -0.73 0.00 0.00 179.01 181.26 3knt h TYR 92 N 0.96 0.59 0.16 0.92 0.05 -1.29 -1.37 116.97 117.00 3knt h TYR 92 Ca 0.21 -0.07 0.01 0.00 0.05 0.00 0.00 58.73 58.93 3knt h TYR 92 Cb 0.34 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 37.87 3knt h TYR 92 CO 0.03 0.59 -0.51 0.82 -1.05 0.00 0.00 178.16 178.03 3knt h ILE 93 N 0.43 0.00 -0.06 -2.88 1.08 -1.34 0.18 117.51 114.91 3knt h ILE 93 Ca 0.11 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.62 3knt h ILE 93 Cb 0.29 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 33.99 3knt h ILE 93 CO -0.00 0.00 -0.23 0.58 -0.69 0.00 0.00 178.15 177.81 3knt h VAL 94 N -0.76 0.45 -0.51 1.67 2.07 -1.48 -1.58 116.25 116.11 3knt h VAL 94 Ca -0.01 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.62 3knt h VAL 94 Cb 0.75 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 3knt h VAL 94 CO -0.25 0.00 0.35 -0.07 0.02 0.00 0.00 177.57 177.62 3knt h LEU 95 N -0.33 0.18 -1.14 2.57 3.38 -0.97 -1.24 115.31 117.77 3knt h LEU 95 Ca 0.08 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3knt h LEU 95 Cb 0.44 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3knt h LEU 95 CO -0.25 0.11 -0.10 0.00 0.09 0.00 0.00 178.44 178.28 3knt h ALA 96 N 1.74 1.00 0.00 1.53 0.00 0.38 -3.24 119.26 120.68 3knt h ALA 96 Ca 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3knt h ALA 96 Cb 0.68 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3knt h ALA 96 CO -0.04 0.13 0.20 0.00 0.00 0.00 0.00 179.25 179.53 3knt h ARG 97 N 0.00 0.00 -0.68 0.00 3.08 -1.04 0.85 114.38 116.59 3knt h ARG 97 Ca -0.00 0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.21 3knt h ARG 97 Cb 0.68 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.69 3knt h ARG 97 CO 0.01 0.00 0.47 0.07 -1.07 0.00 0.00 179.97 179.46 3knt h ARG 98 N 0.00 0.21 -1.77 0.04 0.11 -1.77 -1.80 114.38 109.39 3knt h ARG 98 Ca 0.00 -0.01 -0.66 0.00 0.10 0.00 0.00 59.98 59.40 3knt h ARG 98 Cb 0.39 -0.05 -0.36 0.00 1.11 0.00 0.00 29.97 31.07 3knt h ARG 98 CO 0.00 0.14 -0.01 1.19 0.10 0.00 0.00 179.97 181.38 3knt n PHE 99 N -4.42 3.28 0.29 4.08 3.72 0.29 -4.78 117.46 119.93 3knt n PHE 99 Ca 0.13 -2.88 0.17 0.00 -0.05 0.00 0.00 57.45 54.83 3knt n PHE 99 Cb 0.61 -0.55 0.72 0.00 -0.94 0.00 0.00 39.48 39.32 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 2.83 0.00 -2.17 -1.08 2.10 -1.47 -2.73 116.57 114.04 3knt h LYS 100 Ca 0.39 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.53 3knt h LYS 100 Cb 0.55 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 31.74 3knt h LYS 100 CO 1.07 0.00 0.86 0.27 -2.00 0.00 0.00 179.45 179.65 3knt n ASN 101 N -3.01 6.74 -0.01 7.07 6.94 -1.26 -4.59 115.26 127.13 3knt n ASN 101 Ca 0.00 -3.07 -0.01 0.00 -0.02 0.00 0.00 54.58 51.49 3knt n ASN 101 Cb 0.28 -1.30 0.28 0.00 -2.36 0.00 0.00 39.78 36.68 3knt n ASN 101 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 3knt h ILE 102 N 2.17 1.21 -0.40 1.53 6.09 -1.74 -2.31 117.51 124.06 3knt h ILE 102 Ca 0.45 -0.83 -0.00 0.00 -1.37 0.00 0.00 64.86 63.10 3knt h ILE 102 Cb 0.72 0.96 -0.02 0.00 0.47 0.00 0.00 36.82 38.95 3knt h ILE 102 CO 0.96 0.28 0.23 0.50 -3.07 0.00 0.00 178.15 177.05 3knt h LYS 103 N 0.52 0.54 -0.38 2.19 3.64 -1.84 -0.25 116.57 120.99 3knt h LYS 103 Ca 0.11 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.29 3knt h LYS 103 Cb 0.36 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3knt h LYS 103 CO 0.01 0.42 -0.34 -0.44 -2.27 0.00 0.00 179.45 176.84 3knt h ASP 104 N 0.51 0.92 -0.51 4.20 3.32 -1.90 -0.36 116.42 122.61 3knt h ASP 104 Ca 0.14 -0.40 -0.05 0.00 0.02 0.00 0.00 57.03 56.74 3knt h ASP 104 Cb 0.03 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 3knt h ASP 104 CO -0.02 1.17 0.12 0.40 -1.72 0.00 0.00 179.24 179.18 3knt h ILE 105 N 0.73 1.24 -0.03 0.35 2.04 -1.22 -3.08 117.51 117.54 3knt h ILE 105 Ca 0.07 -0.86 -0.25 0.00 1.00 0.00 0.00 64.86 64.82 3knt h ILE 105 Cb 0.91 0.82 0.02 0.00 -0.74 0.00 0.00 36.82 37.83 3knt h ILE 105 CO 0.08 0.31 -0.98 0.58 0.00 0.00 0.00 178.15 178.15 3knt h VAL 106 N 0.71 1.28 0.00 1.67 2.07 -0.96 -3.21 116.25 117.82 3knt h VAL 106 Ca 0.16 -2.19 0.00 0.00 0.82 0.00 0.00 66.70 65.49 3knt h VAL 106 Cb 0.34 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 3knt h VAL 106 CO 0.00 0.68 0.00 -0.62 0.02 0.00 0.00 177.57 177.65 3knt n GLU 107 N -3.89 0.36 0.00 1.57 1.02 -0.15 -2.93 120.64 116.62 3knt n GLU 107 Ca -0.10 0.08 0.09 0.00 -0.02 0.00 0.00 57.16 57.21 3knt n GLU 107 Cb 0.85 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.77 3knt n GLU 107 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3knt n SER 108 N -1.17 1.86 -4.86 1.62 3.41 -1.17 -4.99 113.62 108.33 3knt n SER 108 Ca 0.10 -1.43 -0.30 0.00 -0.26 0.00 0.00 58.87 56.97 3knt n SER 108 Cb 0.10 0.45 0.04 0.00 -0.26 0.00 0.00 64.21 64.54 3knt n SER 108 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3knt s PHE 109 N -2.14 3.32 0.15 7.33 0.08 -1.15 -4.98 117.98 120.59 3knt s PHE 109 Ca 0.16 1.18 -0.23 0.00 0.12 0.00 0.00 56.93 58.16 3knt s PHE 109 Cb 0.15 -2.95 0.02 0.00 -0.57 0.00 0.00 43.02 39.68 3knt s PHE 109 CO 0.47 -1.12 1.62 1.49 -0.10 0.00 0.00 175.22 177.58 3knt h GLU 110 N -0.62 -0.27 0.00 0.44 4.57 -1.94 -3.47 114.58 113.29 3knt h GLU 110 Ca -0.45 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 3knt h GLU 110 Cb 1.23 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 3knt h GLU 110 CO 0.62 -0.18 0.00 0.27 -1.18 0.00 0.00 179.01 178.54 3knt n ASN 111 N -5.39 0.00 0.04 1.04 0.23 -1.26 -5.07 115.26 104.86 3knt n ASN 111 Ca -0.01 -0.05 -0.21 0.00 -0.53 0.00 0.00 54.58 53.78 3knt n ASN 111 Cb 0.30 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 37.86 3knt n ASN 111 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3knt h GLU 112 N 0.00 0.31 -0.46 -3.83 4.11 -1.94 -3.08 114.58 109.67 3knt h GLU 112 Ca 0.00 -0.52 0.03 0.00 0.07 0.00 0.00 59.36 58.94 3knt h GLU 112 Cb 0.00 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3knt h GLU 112 CO 0.00 1.20 0.31 -0.22 0.07 0.00 0.00 179.01 180.37 3knt h LYS 113 N 0.08 0.49 0.23 1.06 3.11 -1.97 -1.00 116.57 118.58 3knt h LYS 113 Ca -0.35 -0.03 -0.33 0.00 -2.81 0.00 0.00 60.65 57.13 3knt h LYS 113 Cb 2.06 -0.11 0.03 0.00 -1.00 0.00 0.00 32.23 33.21 3knt h LYS 113 CO 0.14 0.33 -1.43 0.28 -2.81 0.00 0.00 179.45 175.95 3knt h VAL 114 N 0.51 1.31 -0.67 2.00 2.07 -1.98 -3.21 116.25 116.27 3knt h VAL 114 Ca 0.19 -2.73 0.02 0.00 0.82 0.00 0.00 66.70 65.00 3knt h VAL 114 Cb 0.12 3.00 -0.04 0.00 -1.52 0.00 0.00 31.29 32.85 3knt h VAL 114 CO -0.05 0.82 0.43 0.00 0.02 0.00 0.00 177.57 178.79 3knt h ALA 115 N 0.22 0.87 -0.98 1.67 0.00 -1.34 -1.69 119.26 118.02 3knt h ALA 115 Ca -0.24 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.71 3knt h ALA 115 Cb 2.13 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 19.61 3knt h ALA 115 CO 0.27 0.22 0.63 -0.09 0.00 0.00 0.00 179.25 180.27 3knt h ARG 116 N 0.86 1.09 -0.54 0.00 2.43 -1.29 -1.45 114.38 115.47 3knt h ARG 116 Ca 0.26 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.40 3knt h ARG 116 Cb -0.03 -0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 29.24 3knt h ARG 116 CO -0.09 0.72 0.36 1.49 -1.51 0.00 0.00 179.97 180.95 3knt h GLU 117 N 1.13 0.60 -0.06 0.20 4.57 -1.31 -2.63 114.58 117.08 3knt h GLU 117 Ca 0.43 -0.04 -0.19 0.00 -1.18 0.00 0.00 59.36 58.38 3knt h GLU 117 Cb 0.19 -0.14 0.01 0.00 -0.16 0.00 0.00 28.75 28.66 3knt h GLU 117 CO -0.18 0.40 -0.70 0.35 -1.18 0.00 0.00 179.01 177.70 3knt h PHE 118 N 0.62 0.81 -0.57 0.92 3.04 -1.02 -3.27 116.94 117.47 3knt h PHE 118 Ca 0.22 -0.40 -0.07 0.00 3.98 0.00 0.00 57.97 61.70 3knt h PHE 118 Cb 0.10 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 38.48 3knt h PHE 118 CO -0.00 1.21 0.07 -0.07 -2.02 0.00 0.00 178.31 177.51 3knt h LEU 119 N 0.18 0.92 0.22 0.59 3.38 -1.22 -2.25 115.31 117.12 3knt h LEU 119 Ca -0.07 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 3knt h LEU 119 Cb 1.36 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 3knt h LEU 119 CO 0.14 0.96 -0.36 0.58 0.09 0.00 0.00 178.44 179.85 3knt h VAL 120 N 0.85 0.00 0.00 1.22 2.07 -1.56 0.12 116.25 118.95 3knt h VAL 120 Ca 0.17 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.65 3knt h VAL 120 Cb 0.44 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 3knt h VAL 120 CO 0.01 0.00 -0.18 0.08 0.02 0.00 0.00 177.57 177.50 3knt h ARG 121 N -0.61 0.00 -0.01 1.57 0.11 -1.60 -3.22 114.38 110.62 3knt h ARG 121 Ca -0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.05 3knt h ARG 121 Cb 0.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.64 3knt h ARG 121 CO -0.12 0.18 -0.56 0.09 0.10 0.00 0.00 179.97 179.66 3knt n ASN 122 N -3.24 1.63 -4.01 0.08 3.02 -0.85 -4.82 115.26 107.07 3knt n ASN 122 Ca 0.01 -1.31 -0.31 0.00 -0.03 0.00 0.00 54.58 52.94 3knt n ASN 122 Cb 0.47 0.62 -0.16 0.00 -0.61 0.00 0.00 39.78 40.11 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 -2.43 1.66 0.14 2.41 1.01 0.43 -5.02 121.20 119.39 3knt s ILE 123 Ca 0.14 -0.95 -0.31 0.00 0.00 0.00 0.00 60.65 59.53 3knt s ILE 123 Cb 0.16 -1.69 -0.10 0.00 0.01 0.00 0.00 42.46 40.84 3knt s ILE 123 CO 0.59 0.23 1.62 -0.54 0.00 0.00 0.00 174.94 176.85 3knt s LYS 124 N 1.40 4.20 0.00 2.79 1.02 -1.26 -2.25 119.74 125.64 3knt s LYS 124 Ca -0.00 2.39 0.00 0.00 0.02 0.00 0.00 55.97 58.38 3knt s LYS 124 Cb -0.16 -3.31 0.00 0.00 -0.52 0.00 0.00 37.83 33.84 3knt s LYS 124 CO -0.09 -0.67 0.00 0.41 -0.92 0.00 0.00 175.35 174.08 3knt n GLY 125 N 3.88 1.34 3.24 -3.33 0.00 -1.26 -4.81 105.19 104.25 3knt n GLY 125 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.20 2.91 0.00 -0.61 -1.09 -0.95 -4.76 121.20 114.50 3knt s ILE 126 Ca 0.00 -0.69 0.00 0.00 -2.23 0.00 0.00 60.65 57.73 3knt s ILE 126 Cb 0.00 -2.32 0.00 0.00 -1.58 0.00 0.00 42.46 38.56 3knt s ILE 126 CO 0.00 0.43 0.00 0.61 -1.23 0.00 0.00 174.94 174.75 3knt n GLY 127 N 4.73 3.65 0.16 6.18 0.00 -1.26 -4.40 105.19 114.25 3knt n GLY 127 Ca -0.19 -1.99 -0.13 0.00 0.00 0.00 0.00 46.02 43.71 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 0.63 -0.07 1.61 -1.99 -1.95 -2.58 116.97 112.62 3knt h TYR 128 Ca 0.00 -0.33 0.04 0.00 2.00 0.00 0.00 58.73 60.43 3knt h TYR 128 Cb 0.00 -0.08 -0.06 0.00 2.00 0.00 0.00 36.73 38.59 3knt h TYR 128 CO 0.00 1.15 -0.40 0.37 -0.00 0.00 0.00 178.16 179.28 3knt h GLN 129 N 0.25 -0.49 0.00 4.88 5.75 -1.92 -1.54 115.11 122.04 3knt h GLN 129 Ca -0.07 0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 3knt h GLN 129 Cb 1.54 0.11 -0.00 0.00 1.07 0.00 0.00 27.48 30.20 3knt h GLN 129 CO 0.16 -0.33 -0.38 0.93 -2.65 0.00 0.00 178.83 176.56 3knt h GLU 130 N -0.51 0.00 -0.11 1.69 4.39 -1.93 -2.63 114.58 115.48 3knt h GLU 130 Ca 0.07 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.71 3knt h GLU 130 Cb 0.62 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.27 3knt h GLU 130 CO -0.35 0.05 -0.17 0.00 -1.16 0.00 0.00 179.01 177.38 3knt h ALA 131 N 1.94 0.17 -0.76 3.43 0.00 -1.33 -1.04 119.26 121.66 3knt h ALA 131 Ca -0.01 -0.35 0.09 0.00 0.00 0.00 0.00 54.91 54.65 3knt h ALA 131 Cb 1.05 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 3knt h ALA 131 CO 0.01 0.08 0.50 0.77 0.00 0.00 0.00 179.25 180.60 3knt h SER 132 N -0.12 0.61 -0.13 0.00 0.02 -1.26 -0.42 113.55 112.25 3knt h SER 132 Ca 0.01 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 3knt h SER 132 Cb 0.74 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 3knt h SER 132 CO 0.04 0.37 0.02 -0.74 -1.14 0.00 0.00 176.83 175.37 3knt h HIS 133 N 0.68 0.23 0.25 3.45 6.17 -1.30 -1.88 115.15 122.75 3knt h HIS 133 Ca 0.35 -0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.39 3knt h HIS 133 Cb 0.45 -0.06 -0.01 0.00 2.52 0.00 0.00 27.41 30.31 3knt h HIS 133 CO -0.00 0.41 -0.27 0.35 0.71 0.00 0.00 177.93 179.12 3knt h PHE 134 N -0.02 -0.76 -0.73 5.26 3.57 -0.49 -0.85 116.94 122.93 3knt h PHE 134 Ca 0.04 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.67 3knt h PHE 134 Cb 0.30 0.30 -0.13 0.00 2.79 0.00 0.00 35.95 39.21 3knt h PHE 134 CO 0.02 -0.36 -0.35 -0.07 -2.23 0.00 0.00 178.31 175.33 3knt h LEU 135 N -0.53 -1.24 -0.01 0.59 3.38 -1.14 -1.01 115.31 115.36 3knt h LEU 135 Ca -0.03 0.26 0.03 0.00 0.09 0.00 0.00 57.88 58.23 3knt h LEU 135 Cb 0.46 0.63 -0.05 0.00 0.09 0.00 0.00 40.66 41.79 3knt h LEU 135 CO -0.04 -0.30 -0.36 -0.09 0.09 0.00 0.00 178.44 177.74 3knt h ARG 136 N -0.10 -0.49 0.00 1.13 1.12 -1.29 -1.95 114.38 112.79 3knt h ARG 136 Ca 0.27 0.03 0.00 0.00 -1.11 0.00 0.00 59.98 59.18 3knt h ARG 136 Cb 0.57 0.11 0.00 0.00 -0.01 0.00 0.00 29.97 30.64 3knt h ARG 136 CO -0.79 -0.33 0.01 0.09 -3.11 0.00 0.00 179.97 175.84 3knt n ASN 137 N -5.43 0.00 0.00 -3.80 4.13 -0.33 -2.08 115.26 107.74 3knt n ASN 137 Ca -0.05 0.31 0.00 0.00 1.68 0.00 0.00 54.58 56.52 3knt n ASN 137 Cb 0.35 -0.31 0.00 0.00 -1.54 0.00 0.00 39.78 38.28 3knt n ASN 137 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 3knt n VAL 138 N -1.30 0.40 0.00 2.41 0.24 -0.90 -4.59 118.33 114.59 3knt n VAL 138 Ca 0.00 -0.67 0.00 0.00 -2.04 0.00 0.00 64.34 61.63 3knt n VAL 138 Cb 0.01 0.83 0.00 0.00 -1.47 0.00 0.00 33.84 33.21 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 -0.20 0.71 3.72 7.63 0.00 -0.89 -4.46 105.19 111.71 3knt n GLY 139 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.07 3.63 -0.27 1.61 2.02 -0.79 -4.81 117.35 118.67 3knt s TYR 140 Ca 0.00 1.36 -0.07 0.00 -0.37 0.00 0.00 57.07 58.00 3knt s TYR 140 Cb 0.00 -2.85 -0.15 0.00 -0.40 0.00 0.00 41.96 38.57 3knt s TYR 140 CO 0.00 0.13 -0.28 -0.25 -1.57 0.00 0.00 175.55 173.57 3knt n ASP 141 N 3.54 1.97 -1.45 2.29 8.00 -1.26 -4.00 116.55 125.64 3knt n ASP 141 Ca -0.01 0.12 -0.08 0.00 0.71 0.00 0.00 54.79 55.53 3knt n ASP 141 Cb 0.51 -0.63 0.10 0.00 -0.02 0.00 0.00 41.12 41.08 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 -3.78 3.27 -4.51 -2.24 2.03 -1.26 -0.47 116.55 109.60 3knt n ASP 142 Ca -0.50 -2.64 -0.31 0.00 0.52 0.00 0.00 54.79 51.86 3knt n ASP 142 Cb 0.94 -0.63 -0.12 0.00 -0.72 0.00 0.00 41.12 40.59 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 -1.49 3.06 -0.02 5.18 -7.23 -1.26 -4.94 120.40 113.70 3knt s VAL 143 Ca 0.24 -1.14 0.02 0.00 -1.81 0.00 0.00 61.98 59.30 3knt s VAL 143 Cb 0.20 -2.33 -0.03 0.00 0.56 0.00 0.00 36.38 34.78 3knt s VAL 143 CO 0.05 0.30 -0.07 0.00 -0.31 0.00 0.00 175.10 175.07 3knt s ALA 144 N -1.00 3.01 -0.23 1.32 0.00 -1.26 -4.12 121.76 119.49 3knt s ALA 144 Ca 0.16 -0.98 -0.07 0.00 0.00 0.00 0.00 51.96 51.07 3knt s ALA 144 Cb -0.11 -1.16 -0.03 0.00 0.00 0.00 0.00 23.12 21.81 3knt s ALA 144 CO 0.07 0.60 0.07 0.42 0.00 0.00 0.00 175.76 176.93 3knt s ILE 145 N -0.94 4.52 -0.55 0.00 1.01 -1.26 -4.74 121.20 119.24 3knt s ILE 145 Ca 0.16 -0.11 0.04 0.00 0.00 0.00 0.00 60.65 60.74 3knt s ILE 145 Cb -0.11 -3.09 0.14 0.00 0.01 0.00 0.00 42.46 39.41 3knt s ILE 145 CO 0.06 0.38 0.32 -0.63 0.00 0.00 0.00 174.94 175.06 3knt s ILE 146 N 1.16 2.44 0.03 2.92 1.01 -1.26 -4.92 121.20 122.58 3knt s ILE 146 Ca 0.05 -3.43 0.00 0.00 0.00 0.00 0.00 60.65 57.27 3knt s ILE 146 Cb -0.14 -2.67 0.00 0.00 0.01 0.00 0.00 42.46 39.66 3knt s ILE 146 CO 0.03 -0.87 0.03 -0.90 0.00 0.00 0.00 174.94 173.23 3knt n ASP 147 N 2.89 0.59 -0.25 3.58 3.85 -1.26 -4.84 116.55 121.10 3knt n ASP 147 Ca 0.10 -1.09 0.03 0.00 -0.71 0.00 0.00 54.79 53.12 3knt n ASP 147 Cb 0.33 -0.01 0.16 0.00 -1.35 0.00 0.00 41.12 40.25 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 0.48 0.64 0.11 0.11 -1.99 -2.14 114.38 111.60 3knt h ARG 148 Ca -0.02 -0.03 -0.03 0.00 0.10 0.00 0.00 59.98 60.00 3knt h ARG 148 Cb 0.07 -0.11 0.01 0.00 1.11 0.00 0.00 29.97 31.05 3knt h ARG 148 CO 0.03 0.32 -0.31 0.45 0.10 0.00 0.00 179.97 180.56 3knt h HIS 149 N 0.50 -0.80 0.00 4.08 3.86 -1.99 -0.97 115.15 119.83 3knt h HIS 149 Ca 0.38 -0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.53 3knt h HIS 149 Cb 0.51 0.26 -0.01 0.00 1.06 0.00 0.00 27.41 29.23 3knt h HIS 149 CO -0.14 -0.50 -0.22 0.97 0.86 0.00 0.00 177.93 178.90 3knt h ILE 150 N -1.18 0.83 -0.17 2.45 2.10 -1.90 0.20 117.51 119.84 3knt h ILE 150 Ca -0.09 -0.85 0.04 0.00 1.08 0.00 0.00 64.86 65.05 3knt h ILE 150 Cb 0.66 1.50 -0.04 0.00 -1.09 0.00 0.00 36.82 37.85 3knt h ILE 150 CO 0.14 0.21 -0.10 -0.07 -1.08 0.00 0.00 178.15 177.26 3knt h LEU 151 N 0.00 -0.33 -1.09 2.19 3.38 -1.35 -1.70 115.31 116.42 3knt h LEU 151 Ca -0.00 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.07 3knt h LEU 151 Cb 0.49 0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 3knt h LEU 151 CO 0.03 -0.13 0.62 0.03 0.09 0.00 0.00 178.44 179.07 3knt h ARG 152 N -0.09 1.19 0.00 1.13 3.08 0.78 0.36 114.38 120.83 3knt h ARG 152 Ca 0.10 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3knt h ARG 152 Cb 0.24 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3knt h ARG 152 CO -0.23 0.79 0.00 -1.91 -1.07 0.00 0.00 179.97 177.54 3knt n GLU 153 N -4.41 0.23 -0.04 0.04 4.07 -0.57 -0.49 120.64 119.46 3knt n GLU 153 Ca 0.12 0.33 -0.12 0.00 -0.06 0.00 0.00 57.16 57.43 3knt n GLU 153 Cb 0.06 -1.85 -0.14 0.00 -0.06 0.00 0.00 31.44 29.44 3knt n GLU 153 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 3knt n LEU 154 N -2.26 1.21 0.02 4.31 4.77 0.97 -2.72 117.00 123.30 3knt n LEU 154 Ca 0.04 0.24 -0.19 0.00 -0.03 0.00 0.00 56.01 56.06 3knt n LEU 154 Cb 0.32 -0.10 -0.10 0.00 -2.33 0.00 0.00 43.42 41.21 3knt n LEU 154 CO 0.25 0.55 0.14 0.22 -1.33 0.00 0.00 177.39 177.22 3knt h TYR 155 N 0.01 1.02 0.32 -1.77 3.20 -0.63 0.70 116.97 119.82 3knt h TYR 155 Ca -0.40 -0.53 -0.02 0.00 3.14 0.00 0.00 58.73 60.93 3knt h TYR 155 Cb 2.06 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 40.21 3knt h TYR 155 CO 0.02 1.36 -0.16 1.49 -1.64 0.00 0.00 178.16 179.23 3knt h GLU 156 N 0.38 -0.42 0.00 1.82 4.57 -0.93 -1.26 114.58 118.74 3knt h GLU 156 Ca -0.11 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 3knt h GLU 156 Cb 1.59 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 30.27 3knt h GLU 156 CO 0.19 -0.12 0.00 0.09 -1.18 0.00 0.00 179.01 177.99 3knt n ASN 157 N -5.16 0.00 -0.53 1.04 4.13 -1.10 -4.86 115.26 108.77 3knt n ASN 157 Ca -0.10 -1.30 -0.07 0.00 1.68 0.00 0.00 54.58 54.79 3knt n ASN 157 Cb 0.26 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.47 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 -0.61 -4.30 0.18 6.41 3.02 -0.47 -4.88 115.26 114.61 3knt n ASN 158 Ca 0.04 0.17 0.03 0.00 -0.03 0.00 0.00 54.58 54.79 3knt n ASN 158 Cb 0.02 -2.41 0.41 0.00 -0.61 0.00 0.00 39.78 37.19 3knt n ASN 158 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 3knt h TYR 159 N 0.00 0.06 -4.48 3.10 -1.99 0.09 -3.42 116.97 110.33 3knt h TYR 159 Ca -0.14 -0.01 -0.65 0.00 2.00 0.00 0.00 58.73 59.93 3knt h TYR 159 Cb 0.61 -0.02 -0.30 0.00 2.00 0.00 0.00 36.73 39.02 3knt h TYR 159 CO 0.29 0.31 -0.87 0.96 -0.00 0.00 0.00 178.16 178.85 3knt s ILE 160 N -4.46 1.84 0.08 -2.88 -4.36 -0.15 -4.99 121.20 106.29 3knt s ILE 160 Ca -0.04 -0.99 -0.34 0.00 -0.26 0.00 0.00 60.65 59.02 3knt s ILE 160 Cb 0.15 -1.53 -0.16 0.00 1.25 0.00 0.00 42.46 42.17 3knt s ILE 160 CO 0.72 0.52 1.52 -0.78 0.24 0.00 0.00 174.94 177.16 3knt h ASP 161 N 5.60 -1.34 -4.69 4.36 3.58 -1.89 -3.39 116.42 118.65 3knt h ASP 161 Ca -0.40 0.11 -0.24 0.00 0.42 0.00 0.00 57.03 56.91 3knt h ASP 161 Cb 1.13 0.45 -0.18 0.00 1.72 0.00 0.00 39.33 42.45 3knt h ASP 161 CO 0.47 -0.62 -0.71 -1.61 -2.88 0.00 0.00 179.24 173.89 3knt s GLU 162 N -5.66 0.69 -0.55 0.28 2.02 -1.26 -5.01 118.70 109.20 3knt s GLU 162 Ca -0.17 -1.08 -0.28 0.00 0.02 0.00 0.00 54.97 53.46 3knt s GLU 162 Cb 0.04 -0.23 0.02 0.00 0.10 0.00 0.00 34.13 34.06 3knt s GLU 162 CO 0.56 0.01 1.35 0.42 0.02 0.00 0.00 175.26 177.63 3knt s ILE 163 N -2.65 3.86 0.22 -1.63 -1.09 -1.26 -4.96 121.20 113.69 3knt s ILE 163 Ca 0.02 0.76 -0.32 0.00 -2.23 0.00 0.00 60.65 58.88 3knt s ILE 163 Cb -0.01 -4.50 -0.13 0.00 -1.58 0.00 0.00 42.46 36.24 3knt s ILE 163 CO -0.03 -1.18 1.55 -2.65 -1.23 0.00 0.00 174.94 171.40 3knt n PRO 164 N 8.55 2.33 0.33 2.79 -0.02 -1.26 -4.83 135.00 142.89 3knt n PRO 164 Ca 0.12 0.83 0.21 0.00 -2.02 0.00 0.00 63.50 62.64 3knt n PRO 164 Cb 0.49 -2.59 1.14 0.00 -0.02 0.00 0.00 33.50 32.52 3knt n PRO 164 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3knt h LYS 165 N 5.31 0.00 -3.82 -0.52 2.10 -2.07 -3.43 116.57 114.14 3knt h LYS 165 Ca -0.45 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.11 3knt h LYS 165 Cb 1.25 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 32.46 3knt h LYS 165 CO 0.84 0.00 -0.24 0.95 -2.00 0.00 0.00 179.45 179.00 3knt s THR 166 N -4.27 0.03 -0.51 0.07 -4.23 -1.26 -5.14 115.64 100.33 3knt s THR 166 Ca -0.05 -1.40 0.03 0.00 -1.18 0.00 0.00 61.69 59.09 3knt s THR 166 Cb 0.13 -2.02 0.15 0.00 1.34 0.00 0.00 72.50 72.10 3knt s THR 166 CO 0.44 -0.14 0.31 -0.76 -0.54 0.00 0.00 174.62 173.94 3knt s LEU 167 N -3.00 3.26 0.91 4.79 1.43 -1.26 -5.06 118.68 119.74 3knt s LEU 167 Ca 0.21 -3.03 -0.11 0.00 -1.03 0.00 0.00 54.13 50.17 3knt s LEU 167 Cb 0.02 -1.19 0.14 0.00 0.03 0.00 0.00 46.19 45.19 3knt s LEU 167 CO 0.04 -0.21 1.10 -0.94 0.23 0.00 0.00 176.35 176.58 3knt s SER 168 N -0.20 3.20 0.25 2.29 1.04 -1.26 -4.72 113.70 114.31 3knt s SER 168 Ca 0.21 1.80 -0.04 0.00 0.48 0.00 0.00 55.95 58.39 3knt s SER 168 Cb -0.16 -2.40 0.34 0.00 0.10 0.00 0.00 66.02 63.90 3knt s SER 168 CO -0.06 -2.86 1.89 -0.09 0.98 0.00 0.00 173.24 173.10 3knt h ARG 169 N -1.70 1.15 -0.63 4.02 2.43 -1.99 -0.75 114.38 116.91 3knt h ARG 169 Ca -0.48 -0.07 0.08 0.00 -0.81 0.00 0.00 59.98 58.70 3knt h ARG 169 Cb 1.27 -0.26 -0.06 0.00 -0.42 0.00 0.00 29.97 30.50 3knt h ARG 169 CO 0.49 0.76 0.30 -0.09 -1.51 0.00 0.00 179.97 179.92 3knt h ARG 170 N 1.18 0.52 -0.31 0.20 2.43 -2.00 -2.09 114.38 114.32 3knt h ARG 170 Ca 0.40 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 59.36 3knt h ARG 170 Cb 0.07 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 3knt h ARG 170 CO -0.14 0.34 -0.51 -0.22 -1.51 0.00 0.00 179.97 177.94 3knt h LYS 171 N 0.54 0.89 -0.31 0.20 1.63 -1.73 -2.80 116.57 114.98 3knt h LYS 171 Ca 0.30 -0.54 0.01 0.00 -0.85 0.00 0.00 60.65 59.56 3knt h LYS 171 Cb 0.29 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.96 3knt h LYS 171 CO -0.24 1.18 0.20 -0.92 -3.45 0.00 0.00 179.45 176.23 3knt h TYR 172 N 0.68 0.38 0.00 1.91 5.03 -0.61 -0.22 116.97 124.15 3knt h TYR 172 Ca 0.02 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.34 3knt h TYR 172 Cb 1.11 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 39.26 3knt h TYR 172 CO 0.07 0.24 -0.53 -0.07 -1.32 0.00 0.00 178.16 176.55 3knt h LEU 173 N 0.41 0.00 0.06 2.82 4.07 -1.35 -0.31 115.31 121.01 3knt h LEU 173 Ca 0.11 -0.08 -0.00 0.00 0.08 0.00 0.00 57.88 58.00 3knt h LEU 173 Cb -0.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.71 3knt h LEU 173 CO -0.02 0.04 -0.03 -0.08 -1.08 0.00 0.00 178.44 177.26 3knt h GLU 174 N 0.00 -0.08 0.11 1.13 4.81 -0.97 -3.19 114.58 116.39 3knt h GLU 174 Ca 0.00 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3knt h GLU 174 Cb 0.88 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.25 3knt h GLU 174 CO 0.00 0.14 -0.19 0.82 -0.73 0.00 0.00 179.01 179.04 3knt h ILE 175 N -1.01 0.56 -1.08 2.32 2.04 -1.19 -1.36 117.51 117.79 3knt h ILE 175 Ca -0.01 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.16 3knt h ILE 175 Cb 0.26 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 3knt h ILE 175 CO 0.01 0.00 0.80 -0.08 0.00 0.00 0.00 178.15 178.89 3knt h GLU 176 N -0.37 0.00 0.10 2.37 4.81 -1.19 0.56 114.58 120.85 3knt h GLU 176 Ca 0.02 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 59.00 3knt h GLU 176 Cb 0.39 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.80 3knt h GLU 176 CO -0.10 0.00 -1.05 -0.97 -0.73 0.00 0.00 179.01 176.16 3knt h ASN 177 N 0.00 0.75 -0.88 1.04 -0.73 -1.26 -0.90 115.58 113.59 3knt h ASN 177 Ca 0.51 -0.83 0.08 0.00 1.87 0.00 0.00 56.30 57.93 3knt h ASN 177 Cb 2.11 -0.24 -0.07 0.00 0.27 0.00 0.00 38.32 40.39 3knt h ASN 177 CO -0.01 1.51 0.54 0.40 -0.37 0.00 0.00 177.43 179.50 3knt h ILE 178 N 0.10 0.98 -0.81 2.57 2.04 0.76 0.30 117.51 123.44 3knt h ILE 178 Ca -0.16 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 3knt h ILE 178 Cb 1.76 -0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 3knt h ILE 178 CO 0.20 0.17 0.49 -0.07 0.00 0.00 0.00 178.15 178.94 3knt h LEU 179 N 0.93 0.98 -0.26 1.44 3.38 -0.68 -1.19 115.31 119.91 3knt h LEU 179 Ca 0.41 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.29 3knt h LEU 179 Cb 0.29 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3knt h LEU 179 CO -0.22 0.76 0.06 -0.09 0.09 0.00 0.00 178.44 179.05 3knt h ARG 180 N 1.12 0.41 -0.30 1.13 2.43 0.70 -2.38 114.38 117.49 3knt h ARG 180 Ca 0.29 -0.10 -0.08 0.00 -0.81 0.00 0.00 59.98 59.28 3knt h ARG 180 Cb -0.04 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 3knt h ARG 180 CO -0.05 0.51 -0.15 -0.44 -1.51 0.00 0.00 179.97 178.32 3knt h ASP 181 N 0.24 0.51 -0.92 -3.80 3.32 -0.40 -2.19 116.42 113.18 3knt h ASP 181 Ca 0.08 -0.14 0.05 0.00 0.02 0.00 0.00 57.03 57.03 3knt h ASP 181 Cb 0.28 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 39.63 3knt h ASP 181 CO 0.00 0.69 0.59 0.40 -1.72 0.00 0.00 179.24 179.20 3knt h ILE 182 N 0.48 1.12 0.00 0.35 2.04 -0.99 -2.84 117.51 117.66 3knt h ILE 182 Ca 0.08 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3knt h ILE 182 Cb 0.55 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 3knt h ILE 182 CO 0.03 0.20 0.00 0.61 0.00 0.00 0.00 178.15 179.00 3knt n GLY 183 N -1.35 -1.18 0.09 5.37 0.00 -0.83 -1.99 105.19 105.30 3knt n GLY 183 Ca 0.13 -0.07 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 3knt n GLY 183 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3knt h GLU 184 N 0.00 0.00 0.03 1.61 4.11 -1.43 0.79 114.58 119.69 3knt h GLU 184 Ca 0.00 -0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.36 3knt h GLU 184 Cb 0.34 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.60 3knt h GLU 184 CO 0.00 0.83 -0.28 0.93 0.07 0.00 0.00 179.01 180.56 3knt h GLU 185 N 0.00 0.14 0.00 1.06 5.08 -1.51 -2.99 114.58 116.36 3knt h GLU 185 Ca -0.01 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3knt h GLU 185 Cb 1.47 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.78 3knt h GLU 185 CO 0.11 1.01 0.00 1.33 -1.00 0.00 0.00 179.01 180.45 3knt n VAL 186 N -4.47 0.47 -3.47 3.13 0.24 -1.18 -4.91 118.33 108.15 3knt n VAL 186 Ca -0.11 0.12 -0.21 0.00 -2.04 0.00 0.00 64.34 62.10 3knt n VAL 186 Cb 0.56 -0.75 0.08 0.00 -1.47 0.00 0.00 33.84 32.25 3knt n VAL 186 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3knt n ASN 187 N -1.45 -5.27 -4.24 -1.34 5.15 -0.53 -5.02 115.26 102.56 3knt n ASN 187 Ca 0.06 -0.51 -0.27 0.00 -0.60 0.00 0.00 54.58 53.26 3knt n ASN 187 Cb 0.24 -4.69 -0.15 0.00 -0.53 0.00 0.00 39.78 34.65 3knt n ASN 187 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3knt s LEU 188 N -6.65 2.06 1.05 1.20 1.43 0.27 -4.98 118.68 113.06 3knt s LEU 188 Ca 0.44 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 53.01 3knt s LEU 188 Cb -0.19 -1.09 0.22 0.00 0.03 0.00 0.00 46.19 45.16 3knt s LEU 188 CO 0.67 0.25 1.09 -0.54 0.23 0.00 0.00 176.35 178.05 3knt s LYS 189 N -0.61 -0.03 0.34 1.70 1.02 -1.26 -4.39 119.74 116.51 3knt s LYS 189 Ca 0.08 1.21 0.03 0.00 0.02 0.00 0.00 55.97 57.32 3knt s LYS 189 Cb -0.08 -1.63 0.63 0.00 -0.52 0.00 0.00 37.83 36.22 3knt s LYS 189 CO -0.00 -3.24 1.94 -0.07 -0.92 0.00 0.00 175.35 173.06 3knt h LEU 190 N -2.29 0.61 -0.61 3.17 3.38 -1.74 -2.52 115.31 115.31 3knt h LEU 190 Ca -0.53 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.34 3knt h LEU 190 Cb 1.30 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 3knt h LEU 190 CO 0.45 0.54 0.21 0.77 0.09 0.00 0.00 178.44 180.51 3knt h SER 191 N 0.67 0.87 0.61 -0.43 4.64 -0.92 -3.05 113.55 115.94 3knt h SER 191 Ca 0.16 -0.20 -0.03 0.00 -0.47 0.00 0.00 61.79 61.26 3knt h SER 191 Cb 0.12 -0.23 0.01 0.00 -0.31 0.00 0.00 62.40 61.99 3knt h SER 191 CO -0.02 0.83 -0.29 -0.33 -0.87 0.00 0.00 176.83 176.15 3knt h GLU 192 N 0.86 -0.79 -0.88 4.77 5.08 -1.81 -3.28 114.58 118.52 3knt h GLU 192 Ca 0.20 0.05 0.14 0.00 -1.00 0.00 0.00 59.36 58.75 3knt h GLU 192 Cb 0.26 0.18 -0.15 0.00 0.50 0.00 0.00 28.75 29.55 3knt h GLU 192 CO -0.01 -0.53 -0.33 -0.11 -1.00 0.00 0.00 179.01 177.04 3knt n LEU 193 N -5.32 -0.54 -0.18 1.33 7.94 -0.97 -1.03 117.00 118.23 3knt n LEU 193 Ca -0.10 1.53 -0.09 0.00 -1.11 0.00 0.00 56.01 56.24 3knt n LEU 193 Cb 0.33 -0.37 -0.07 0.00 0.53 0.00 0.00 43.42 43.84 3knt n LEU 193 CO 0.25 -1.39 0.49 -0.78 -1.11 0.00 0.00 177.39 174.85 3knt h ASP 194 N 0.00 -1.46 -0.97 1.96 1.82 -1.59 0.21 116.42 116.39 3knt h ASP 194 Ca 0.32 0.20 0.25 0.00 -0.39 0.00 0.00 57.03 57.41 3knt h ASP 194 Cb 0.54 0.62 -0.13 0.00 0.68 0.00 0.00 39.33 41.04 3knt h ASP 194 CO -0.88 -0.25 0.53 -0.07 -1.61 0.00 0.00 179.24 176.96 3knt h LEU 195 N -0.18 0.55 0.42 2.28 3.38 -1.17 0.23 115.31 120.83 3knt h LEU 195 Ca 0.08 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 3knt h LEU 195 Cb 0.39 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3knt h LEU 195 CO -0.54 0.04 -0.20 1.88 0.09 0.00 0.00 178.44 179.71 3knt h TYR 196 N 0.50 -0.53 -0.56 1.13 -1.99 -0.39 0.12 116.97 115.25 3knt h TYR 196 Ca 0.63 -0.01 -0.07 0.00 2.00 0.00 0.00 58.73 61.27 3knt h TYR 196 Cb 1.23 0.17 -0.02 0.00 2.00 0.00 0.00 36.73 40.11 3knt h TYR 196 CO -0.05 -0.32 0.06 0.82 -0.00 0.00 0.00 178.16 178.67 3knt h ILE 197 N -0.59 1.25 -0.31 -2.88 2.04 -0.03 -2.11 117.51 114.88 3knt h ILE 197 Ca -0.06 -0.99 0.01 0.00 1.00 0.00 0.00 64.86 64.82 3knt h ILE 197 Cb 0.45 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 3knt h ILE 197 CO 0.10 0.36 0.18 -0.25 0.00 0.00 0.00 178.15 178.54 3knt h TRP 198 N 0.86 0.34 -0.27 1.37 7.01 -0.48 -1.80 115.95 122.98 3knt h TRP 198 Ca 0.17 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.21 3knt h TRP 198 Cb 0.43 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.35 3knt h TRP 198 CO 0.03 0.20 0.10 -0.92 -2.79 0.00 0.00 178.44 175.06 3knt h TYR 199 N 0.37 0.18 -0.18 2.65 5.03 -0.40 0.48 116.97 125.10 3knt h TYR 199 Ca 0.12 0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.47 3knt h TYR 199 Cb -0.00 -0.04 -0.05 0.00 1.55 0.00 0.00 36.73 38.19 3knt h TYR 199 CO -0.07 0.09 -0.35 -0.07 -1.32 0.00 0.00 178.16 176.43 3knt h LEU 200 N 0.23 -1.15 -0.16 2.82 3.38 -1.16 1.07 115.31 120.33 3knt h LEU 200 Ca 0.12 0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.27 3knt h LEU 200 Cb 0.08 0.46 -0.07 0.00 0.09 0.00 0.00 40.66 41.22 3knt h LEU 200 CO -0.12 -0.28 -0.46 -0.09 0.09 0.00 0.00 178.44 177.58 3knt h ARG 201 N -0.31 -0.48 0.00 1.13 9.65 -0.63 -3.32 114.38 120.42 3knt h ARG 201 Ca 0.03 0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.92 3knt h ARG 201 Cb 0.40 0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 29.09 3knt h ARG 201 CO -0.33 -0.32 -0.60 0.25 2.80 0.00 0.00 179.97 181.77 3knt n THR 202 N -5.43 1.43 0.00 0.20 -2.24 0.09 -5.02 114.28 103.31 3knt n THR 202 Ca -0.04 0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 3knt n THR 202 Cb 0.37 -2.35 0.00 0.00 -2.10 0.00 0.00 70.33 66.24 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 1.59 1.55 3.31 3.38 0.00 0.37 -5.04 105.19 110.36 3knt n GLY 203 Ca -0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.16 0.45 -0.45 1.61 1.02 -1.25 -5.04 119.74 115.92 3knt s LYS 204 Ca 0.00 0.78 -0.01 0.00 0.02 0.00 0.00 55.97 56.76 3knt s LYS 204 Cb 0.00 0.05 0.33 0.00 -0.52 0.00 0.00 37.83 37.70 3knt s LYS 204 CO 0.00 -0.13 1.99 0.28 -0.92 0.00 0.00 175.35 176.56 3knt n VAL 205 N 3.92 3.08 0.00 3.17 0.31 -1.26 -4.18 118.33 123.37 3knt n VAL 205 Ca -0.21 -2.10 0.00 0.00 -0.01 0.00 0.00 64.34 62.02 3knt n VAL 205 Cb 0.56 -1.19 0.00 0.00 -0.91 0.00 0.00 33.84 32.29 3knt n VAL 205 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3knt n LEU 206 N -0.24 0.00 0.00 7.52 4.77 -1.26 -4.93 117.00 122.86 3knt n LEU 206 Ca 0.44 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 3knt n LEU 206 Cb 0.69 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 3knt n LEU 206 CO 0.54 0.00 0.00 2.29 -1.33 0.00 0.00 177.39 178.89