#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kno s GLU 2 N 0.00 0.04 0.51 2.12 -1.05 -1.26 -4.28 118.70 114.78 3kno s GLU 2 Ca 0.00 0.06 -0.05 0.00 -0.15 0.00 0.00 54.97 54.84 3kno s GLU 2 Cb 0.00 0.04 -0.02 0.00 -0.44 0.00 0.00 34.13 33.71 3kno s GLU 2 CO 0.00 -0.05 0.81 0.00 0.95 0.00 0.00 175.26 176.97 3kno s ALA 3 N 2.99 3.40 0.13 -0.84 0.00 -1.19 -4.91 121.76 121.34 3kno s ALA 3 Ca -0.05 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.31 3kno s ALA 3 Cb -0.07 -2.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 3kno s ALA 3 CO -0.09 -0.49 -0.00 0.15 0.00 0.00 0.00 175.76 175.33 3kno s LYS 4 N -4.80 0.94 0.00 0.00 1.02 -1.26 -2.16 119.74 113.48 3kno s LYS 4 Ca 0.49 -1.43 0.00 0.00 0.02 0.00 0.00 55.97 55.05 3kno s LYS 4 Cb -0.10 -0.07 0.00 0.00 -0.52 0.00 0.00 37.83 37.14 3kno s LYS 4 CO 0.44 -0.14 0.00 0.00 -0.92 0.00 0.00 175.35 174.74 3kno n ALA 5 N -0.12 0.00 -0.20 5.17 0.00 -1.02 -4.88 120.51 119.46 3kno n ALA 5 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3kno n ALA 5 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 3kno n ALA 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3kno n ILE 6 N 0.00 -0.48 -3.75 0.00 5.41 -1.25 -4.82 119.36 114.47 3kno n ILE 6 Ca 0.00 0.00 -0.37 0.00 1.00 0.00 0.00 62.75 63.38 3kno n ILE 6 Cb 0.00 -0.64 -0.12 0.00 -0.71 0.00 0.00 39.64 38.17 3kno n ILE 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kno s ALA 7 N 0.00 3.25 0.68 -1.39 0.00 -0.03 -4.98 121.76 119.28 3kno s ALA 7 Ca 0.00 -1.09 -0.03 0.00 0.00 0.00 0.00 51.96 50.84 3kno s ALA 7 Cb 0.00 -2.14 0.08 0.00 0.00 0.00 0.00 23.12 21.06 3kno s ALA 7 CO 0.00 -0.44 0.96 1.03 0.00 0.00 0.00 175.76 177.30 3kno s ARG 8 N 1.53 2.07 -0.81 0.00 0.52 -1.26 -2.35 118.95 118.65 3kno s ARG 8 Ca 0.06 -0.64 -0.14 0.00 -0.52 0.00 0.00 55.73 54.49 3kno s ARG 8 Cb -0.15 -2.29 0.02 0.00 0.52 0.00 0.00 34.95 33.05 3kno s ARG 8 CO 0.05 -1.20 0.27 0.66 0.02 0.00 0.00 175.30 175.10 3kno n TYR 9 N -2.78 -0.81 0.17 -0.53 0.53 -1.24 -4.88 117.16 107.63 3kno n TYR 9 Ca 0.10 0.14 -0.07 0.00 -1.02 0.00 0.00 57.90 57.06 3kno n TYR 9 Cb 0.60 -1.69 -0.03 0.00 -1.03 0.00 0.00 39.34 37.19 3kno n TYR 9 CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 3kno h VAL 10 N -0.51 0.00 0.00 -0.72 2.07 -1.52 -3.48 116.25 112.09 3kno h VAL 10 Ca -0.43 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3kno h VAL 10 Cb 0.86 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3kno h VAL 10 CO 0.36 0.00 0.00 -1.14 0.02 0.00 0.00 177.57 176.81 3kno n ARG 11 N -3.46 0.00 0.00 1.57 0.00 -1.26 -4.93 116.66 108.58 3kno n ARG 11 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 3kno n ARG 11 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.63 3kno n ARG 11 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 3kno n ILE 12 N 0.00 0.00 -1.58 5.15 3.06 -1.11 -4.94 119.36 119.94 3kno n ILE 12 Ca 0.00 0.00 -0.58 0.00 -2.50 0.00 0.00 62.75 59.67 3kno n ILE 12 Cb 0.00 0.00 -0.08 0.00 0.54 0.00 0.00 39.64 40.10 3kno n ILE 12 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 3kno n SER 13 N 0.00 0.78 -0.18 9.51 2.88 -1.18 -3.32 113.62 122.11 3kno n SER 13 Ca 0.00 1.15 -0.05 0.00 -1.33 0.00 0.00 58.87 58.64 3kno n SER 13 Cb 0.00 -1.00 -0.04 0.00 -0.75 0.00 0.00 64.21 62.42 3kno n SER 13 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3kno h PRO 14 N 4.02 -0.00 -0.88 -1.46 0.11 -1.89 -1.82 132.00 130.07 3kno h PRO 14 Ca -0.49 0.00 0.25 0.00 0.11 0.00 0.00 66.00 65.87 3kno h PRO 14 Cb 1.39 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.34 3kno h PRO 14 CO 0.76 -0.00 0.04 0.54 -0.21 0.00 0.00 178.00 179.12 3kno n ARG 15 N -3.95 -0.07 0.02 1.05 1.74 -1.26 -0.30 116.66 113.88 3kno n ARG 15 Ca 0.01 1.31 -0.04 0.00 -0.77 0.00 0.00 57.85 58.36 3kno n ARG 15 Cb 0.11 -2.09 -0.02 0.00 -1.02 0.00 0.00 32.46 29.43 3kno n ARG 15 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3kno h LYS 16 N 0.00 -0.17 -1.00 5.56 1.79 -1.68 -3.12 116.57 117.96 3kno h LYS 16 Ca 0.54 0.01 0.02 0.00 -2.18 0.00 0.00 60.65 59.05 3kno h LYS 16 Cb 1.14 0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 31.77 3kno h LYS 16 CO -0.82 -0.11 0.66 -0.39 -1.08 0.00 0.00 179.45 177.71 3kno h VAL 17 N -0.17 1.22 -0.93 0.50 -1.51 -0.67 -3.00 116.25 111.68 3kno h VAL 17 Ca 0.00 -0.45 0.26 0.00 -1.23 0.00 0.00 66.70 65.28 3kno h VAL 17 Cb 0.18 -0.21 -0.14 0.00 -2.13 0.00 0.00 31.29 29.00 3kno h VAL 17 CO -0.09 0.24 0.42 0.03 -1.23 0.00 0.00 177.57 176.94 3kno h ARG 18 N 1.31 0.33 0.00 5.19 3.08 -0.96 1.77 114.38 125.11 3kno h ARG 18 Ca 0.38 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.39 3kno h ARG 18 Cb -0.09 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 29.89 3kno h ARG 18 CO -0.10 0.22 -0.09 -0.07 -1.07 0.00 0.00 179.97 178.86 3kno h LEU 19 N 0.34 0.00 0.00 3.04 4.07 -1.52 0.99 115.31 122.23 3kno h LEU 19 Ca 0.62 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.58 3kno h LEU 19 Cb 1.27 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.01 3kno h LEU 19 CO -0.58 0.09 -0.00 0.58 -1.08 0.00 0.00 178.44 177.44 3kno h VAL 20 N 0.00 1.20 0.14 1.22 2.07 0.23 -3.10 116.25 118.01 3kno h VAL 20 Ca -0.00 -1.90 0.01 0.00 0.82 0.00 0.00 66.70 65.62 3kno h VAL 20 Cb 0.16 2.27 -0.04 0.00 -1.52 0.00 0.00 31.29 32.17 3kno h VAL 20 CO 0.01 0.41 -0.43 0.58 0.02 0.00 0.00 177.57 178.16 3kno h VAL 21 N -1.00 0.00 -0.59 2.57 2.07 0.20 -0.83 116.25 118.68 3kno h VAL 21 Ca -0.00 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.69 3kno h VAL 21 Cb 0.67 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3kno h VAL 21 CO -0.00 0.00 0.75 0.44 0.02 0.00 0.00 177.57 178.78 3kno h ASP 22 N -0.64 0.00 -0.12 0.57 3.45 0.85 -0.05 116.42 120.48 3kno h ASP 22 Ca -0.01 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.37 3kno h ASP 22 Cb 0.63 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.38 3kno h ASP 22 CO -0.21 0.00 -0.15 0.25 -1.57 0.00 0.00 179.24 177.55 3kno h LEU 23 N 0.00 0.49 -3.29 1.55 5.85 -1.06 -3.19 115.31 115.66 3kno h LEU 23 Ca 0.28 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3kno h LEU 23 Cb 1.79 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.69 3kno h LEU 23 CO -0.00 0.67 0.00 2.30 -0.34 0.00 0.00 178.44 181.07 3kno n ILE 24 N -4.18 2.34 -1.83 4.05 -5.35 -0.04 -5.03 119.36 109.33 3kno n ILE 24 Ca 0.00 -1.83 -0.41 0.00 -0.27 0.00 0.00 62.75 60.24 3kno n ILE 24 Cb 0.34 -0.26 -0.01 0.00 -1.74 0.00 0.00 39.64 37.98 3kno n ILE 24 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3kno s ARG 25 N -2.82 4.14 -1.70 6.28 3.52 -1.18 -3.21 118.95 123.97 3kno s ARG 25 Ca 0.44 2.54 -0.17 0.00 -0.13 0.00 0.00 55.73 58.40 3kno s ARG 25 Cb 0.35 -3.00 0.15 0.00 -1.56 0.00 0.00 34.95 30.89 3kno s ARG 25 CO 0.10 -0.54 0.71 0.41 -0.81 0.00 0.00 175.30 175.17 3kno n GLY 26 N 1.17 -0.41 3.69 8.12 0.00 -0.90 -4.97 105.19 111.88 3kno n GLY 26 Ca 0.04 0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 3kno n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kno s LYS 27 N -6.96 2.25 0.45 1.61 1.02 -1.20 -4.70 119.74 112.20 3kno s LYS 27 Ca 0.67 -1.63 -0.24 0.00 0.02 0.00 0.00 55.97 54.80 3kno s LYS 27 Cb -0.37 -2.07 -0.08 0.00 -0.52 0.00 0.00 37.83 34.79 3kno s LYS 27 CO 0.94 0.13 1.22 -1.54 -0.92 0.00 0.00 175.35 175.18 3kno s SER 28 N -3.79 6.17 0.51 2.83 1.04 -1.26 -0.25 113.70 118.95 3kno s SER 28 Ca 0.36 2.44 0.29 0.00 0.48 0.00 0.00 55.95 59.52 3kno s SER 28 Cb -0.02 -2.62 1.40 0.00 0.10 0.00 0.00 66.02 64.89 3kno s SER 28 CO 0.21 -0.93 1.88 0.25 0.98 0.00 0.00 173.24 175.64 3kno h LEU 29 N 2.24 0.08 -0.09 2.42 5.85 -1.51 0.29 115.31 124.59 3kno h LEU 29 Ca -0.49 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.18 3kno h LEU 29 Cb 1.25 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 3kno h LEU 29 CO 0.61 0.03 -0.17 -0.08 -0.34 0.00 0.00 178.44 178.48 3kno h GLU 30 N 0.08 0.28 0.59 1.25 4.81 -1.90 -1.23 114.58 118.46 3kno h GLU 30 Ca 0.43 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.46 3kno h GLU 30 Cb 1.59 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.97 3kno h GLU 30 CO -0.04 0.77 -0.46 1.49 -0.73 0.00 0.00 179.01 180.04 3kno h GLU 31 N -0.18 -0.98 0.00 1.92 4.57 -0.93 -3.01 114.58 115.97 3kno h GLU 31 Ca 0.00 0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 3kno h GLU 31 Cb 0.76 0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.57 3kno h GLU 31 CO 0.04 -0.65 0.00 0.00 -1.18 0.00 0.00 179.01 177.22 3kno n ALA 32 N -2.73 0.00 0.00 2.92 0.00 0.54 -2.56 120.51 118.68 3kno n ALA 32 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3kno n ALA 32 Cb 0.45 0.13 0.00 0.00 0.00 0.00 0.00 19.45 20.03 3kno n ALA 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kno n ARG 33 N -0.69 0.00 0.03 0.00 1.74 -0.47 0.67 116.66 117.95 3kno n ARG 33 Ca 0.00 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.07 3kno n ARG 33 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 3kno n ARG 33 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 3kno h ASN 34 N 0.00 -0.07 -0.71 0.55 -0.26 -1.36 -2.70 115.58 111.03 3kno h ASN 34 Ca 0.00 0.00 0.12 0.00 -0.56 0.00 0.00 56.30 55.87 3kno h ASN 34 Cb 0.00 0.02 -0.12 0.00 -1.06 0.00 0.00 38.32 37.16 3kno h ASN 34 CO 0.00 -0.05 -0.23 -0.38 -1.06 0.00 0.00 177.43 175.71 3kno n ILE 35 N -2.26 -0.34 -0.25 2.81 5.41 0.21 0.70 119.36 125.63 3kno n ILE 35 Ca -0.01 1.64 -0.01 0.00 1.00 0.00 0.00 62.75 65.37 3kno n ILE 35 Cb 0.03 -2.21 0.18 0.00 -0.71 0.00 0.00 39.64 36.93 3kno n ILE 35 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3kno h LEU 36 N 0.00 0.96 -0.43 1.39 3.38 -1.46 0.36 115.31 119.50 3kno h LEU 36 Ca 0.29 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3kno h LEU 36 Cb 0.46 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3kno h LEU 36 CO -0.71 0.74 0.00 -2.11 0.09 0.00 0.00 178.44 176.45 3kno n ARG 37 N -4.37 1.29 0.00 1.13 1.85 0.22 -3.48 116.66 113.29 3kno n ARG 37 Ca 0.08 -0.43 0.00 0.00 -1.00 0.00 0.00 57.85 56.50 3kno n ARG 37 Cb 0.07 -1.37 0.00 0.00 -1.05 0.00 0.00 32.46 30.11 3kno n ARG 37 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3kno n TYR 38 N -0.39 0.00 -3.64 2.89 4.01 -0.17 -5.02 117.16 114.84 3kno n TYR 38 Ca 0.17 -0.21 -0.36 0.00 -0.16 0.00 0.00 57.90 57.33 3kno n TYR 38 Cb 0.18 -0.02 -0.09 0.00 -0.31 0.00 0.00 39.34 39.10 3kno n TYR 38 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3kno s THR 39 N -0.43 5.35 -0.92 -0.72 2.01 0.11 -5.00 115.64 116.04 3kno s THR 39 Ca 0.00 0.27 -0.24 0.00 0.31 0.00 0.00 61.69 62.03 3kno s THR 39 Cb 0.00 -3.53 0.00 0.00 0.01 0.00 0.00 72.50 68.98 3kno s THR 39 CO 0.00 0.36 1.67 0.21 -0.69 0.00 0.00 174.62 176.17 3kno s ASN 40 N 0.83 5.83 -0.30 3.53 3.84 -1.26 -4.77 114.94 122.63 3kno s ASN 40 Ca 0.10 -0.93 -0.17 0.00 0.21 0.00 0.00 52.86 52.07 3kno s ASN 40 Cb -0.13 -2.56 0.19 0.00 -0.55 0.00 0.00 41.25 38.20 3kno s ASN 40 CO 0.03 -2.11 1.19 -0.54 -2.79 0.00 0.00 177.10 172.89 3kno s LYS 41 N 6.02 0.12 0.62 0.43 -0.14 -1.26 -4.98 119.74 120.56 3kno s LYS 41 Ca 0.57 0.26 0.24 0.00 -1.36 0.00 0.00 55.97 55.67 3kno s LYS 41 Cb -0.04 0.09 1.10 0.00 -1.68 0.00 0.00 37.83 37.30 3kno s LYS 41 CO -0.02 -0.03 1.58 -0.09 -0.76 0.00 0.00 175.35 176.03 3kno h ARG 42 N 6.22 0.00 0.00 1.68 2.43 -1.99 -1.95 114.38 120.77 3kno h ARG 42 Ca -0.21 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 3kno h ARG 42 Cb 1.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 3kno h ARG 42 CO 0.15 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 179.02 3kno n GLY 43 N -1.50 -3.09 0.00 2.80 0.00 -1.26 -3.49 105.19 98.64 3kno n GLY 43 Ca 0.09 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.42 3kno n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kno n ALA 44 N -1.30 0.00 -0.29 4.61 0.00 -0.73 0.20 120.51 123.00 3kno n ALA 44 Ca 0.00 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.70 3kno n ALA 44 Cb 0.00 0.00 0.48 0.00 0.00 0.00 0.00 19.45 19.93 3kno n ALA 44 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3kno n TYR 45 N -2.95 0.95 -0.03 0.00 9.36 -1.23 0.12 117.16 123.39 3kno n TYR 45 Ca 0.00 1.05 -0.19 0.00 3.32 0.00 0.00 57.90 62.08 3kno n TYR 45 Cb 0.00 -1.41 -0.13 0.00 -0.63 0.00 0.00 39.34 37.17 3kno n TYR 45 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 3kno h PHE 46 N 0.00 0.26 -0.40 2.98 0.04 -0.42 -2.96 116.94 116.43 3kno h PHE 46 Ca 0.72 -0.19 0.08 0.00 2.80 0.00 0.00 57.97 61.38 3kno h PHE 46 Cb 1.84 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 39.96 3kno h PHE 46 CO -0.09 1.36 0.28 0.28 -0.60 0.00 0.00 178.31 179.54 3kno h VAL 47 N -0.63 0.89 0.00 -0.55 2.07 -0.72 -1.67 116.25 115.63 3kno h VAL 47 Ca -0.21 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3kno h VAL 47 Cb 1.46 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 3kno h VAL 47 CO 0.01 0.03 0.00 0.00 0.02 0.00 0.00 177.57 177.63 3kno n ALA 48 N -2.56 -0.42 -0.29 1.67 0.00 0.32 -1.76 120.51 117.47 3kno n ALA 48 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.61 3kno n ALA 48 Cb 0.34 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.05 3kno n ALA 48 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kno h LYS 49 N 0.00 0.15 0.00 0.00 1.57 -1.30 0.23 116.57 117.21 3kno h LYS 49 Ca 0.00 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 3kno h LYS 49 Cb 0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3kno h LYS 49 CO 0.00 0.10 -0.25 -0.24 -0.57 0.00 0.00 179.45 178.49 3kno h VAL 50 N 0.15 0.83 0.00 0.50 3.04 -1.35 0.35 116.25 119.77 3kno h VAL 50 Ca 0.52 -0.98 -0.01 0.00 -1.01 0.00 0.00 66.70 65.22 3kno h VAL 50 Cb 1.03 1.59 -0.00 0.00 -2.01 0.00 0.00 31.29 31.90 3kno h VAL 50 CO -0.69 0.24 -0.34 0.25 -1.01 0.00 0.00 177.57 176.02 3kno h LEU 51 N 0.00 0.00 0.11 3.16 7.12 0.20 -2.50 115.31 123.40 3kno h LEU 51 Ca -0.00 0.00 -0.25 0.00 0.13 0.00 0.00 57.88 57.76 3kno h LEU 51 Cb 0.57 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.70 3kno h LEU 51 CO 0.03 0.04 -1.26 -0.08 -0.13 0.00 0.00 178.44 177.04 3kno h GLU 52 N 0.00 0.23 0.00 1.25 4.57 -0.32 -2.78 114.58 117.54 3kno h GLU 52 Ca -0.00 -0.39 -0.00 0.00 -1.18 0.00 0.00 59.36 57.78 3kno h GLU 52 Cb 1.03 0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 29.77 3kno h GLU 52 CO 0.00 1.19 -0.01 1.03 -1.18 0.00 0.00 179.01 180.04 3kno h SER 53 N -0.38 0.00 0.00 1.04 0.87 -0.40 -1.71 113.55 112.97 3kno h SER 53 Ca -0.27 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 3kno h SER 53 Cb 1.69 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.65 3kno h SER 53 CO 0.05 0.01 0.00 0.00 -0.53 0.00 0.00 176.83 176.36 3kno n ALA 54 N -2.14 -0.20 -0.35 6.23 0.00 -0.94 -2.89 120.51 120.22 3kno n ALA 54 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.44 3kno n ALA 54 Cb 0.10 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.64 3kno n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kno n ALA 55 N -1.31 0.05 -0.24 0.00 0.00 -0.96 -1.02 120.51 117.02 3kno n ALA 55 Ca 0.00 0.98 -0.13 0.00 0.00 0.00 0.00 53.44 54.29 3kno n ALA 55 Cb 0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 19.45 18.84 3kno n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kno h ALA 56 N 1.58 -0.70 0.47 0.00 0.00 -1.41 0.36 119.26 119.56 3kno h ALA 56 Ca 0.39 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 3kno h ALA 56 Cb 0.62 1.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 3kno h ALA 56 CO -0.95 -1.02 -0.30 -0.91 0.00 0.00 0.00 179.25 176.07 3kno h ASN 57 N -0.25 -0.76 -0.21 0.00 -0.26 -0.94 0.93 115.58 114.09 3kno h ASN 57 Ca 0.10 0.04 0.03 0.00 -0.56 0.00 0.00 56.30 55.91 3kno h ASN 57 Cb 0.52 0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 37.98 3kno h ASN 57 CO -0.72 -0.45 -0.10 0.00 -1.06 0.00 0.00 177.43 175.10 3kno n ALA 58 N -2.49 -0.07 -0.12 -0.83 0.00 -0.22 0.11 120.51 116.89 3kno n ALA 58 Ca -0.09 0.19 -0.22 0.00 0.00 0.00 0.00 53.44 53.32 3kno n ALA 58 Cb 0.30 -0.06 -0.09 0.00 0.00 0.00 0.00 19.45 19.60 3kno n ALA 58 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3kno n VAL 59 N -4.28 1.52 0.22 0.00 3.14 0.04 -1.48 118.33 117.48 3kno n VAL 59 Ca 0.01 -0.15 0.12 0.00 -2.96 0.00 0.00 64.34 61.37 3kno n VAL 59 Cb 0.07 -2.04 0.67 0.00 -1.06 0.00 0.00 33.84 31.47 3kno n VAL 59 CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 3kno h ASN 60 N -1.00 0.00 0.00 6.55 -0.73 0.15 -2.60 115.58 117.95 3kno h ASN 60 Ca -0.43 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.74 3kno h ASN 60 Cb 1.33 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.92 3kno h ASN 60 CO -0.26 0.00 -0.90 0.59 -0.37 0.00 0.00 177.43 176.49 3kno n ASN 61 N -2.43 4.50 -0.12 1.15 5.03 0.29 -4.85 115.26 118.84 3kno n ASN 61 Ca -0.02 0.00 0.09 0.00 0.87 0.00 0.00 54.58 55.52 3kno n ASN 61 Cb 0.17 0.62 0.12 0.00 -1.02 0.00 0.00 39.78 39.67 3kno n ASN 61 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3kno n HIS 62 N -1.67 0.00 -2.17 3.10 8.25 -0.55 -5.01 115.22 117.18 3kno n HIS 62 Ca 0.00 -0.89 -0.02 0.00 -0.26 0.00 0.00 57.72 56.55 3kno n HIS 62 Cb 0.28 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.26 3kno n HIS 62 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3kno n ASP 63 N -1.28 -3.90 0.00 0.41 8.00 -0.99 -4.85 116.55 113.95 3kno n ASP 63 Ca 0.14 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.85 3kno n ASP 63 Cb 0.65 -0.95 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 3kno n ASP 63 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3kno n MET 64 N 0.87 1.19 -1.46 -1.24 2.81 -1.25 -4.99 117.12 113.05 3kno n MET 64 Ca -0.01 -0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 3kno n MET 64 Cb 0.31 -0.39 0.00 0.00 -0.71 0.00 0.00 33.22 32.44 3kno n MET 64 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 3kno n LEU 65 N -0.19 -4.83 -0.06 4.03 0.00 -1.26 -4.50 117.00 110.19 3kno n LEU 65 Ca 0.00 2.20 -0.05 0.00 0.00 0.00 0.00 56.01 58.16 3kno n LEU 65 Cb 0.07 -2.24 -0.04 0.00 0.00 0.00 0.00 43.42 41.21 3kno n LEU 65 CO 0.00 -0.95 0.50 -0.08 0.00 0.00 0.00 177.39 176.86 3kno h GLU 66 N 2.64 -0.12 0.00 1.96 4.81 -1.98 -2.20 114.58 119.68 3kno h GLU 66 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3kno h GLU 66 Cb 0.00 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3kno h GLU 66 CO 0.00 -0.08 0.00 -0.25 -0.73 0.00 0.00 179.01 177.95 3kno n ASP 67 N -3.69 0.00 -0.00 1.04 8.00 -1.26 -0.70 116.55 119.94 3kno n ASP 67 Ca -0.01 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.50 3kno n ASP 67 Cb 0.12 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.20 3kno n ASP 67 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kno n ARG 68 N -0.30 0.13 -2.45 -1.24 5.12 -0.83 -4.96 116.66 112.13 3kno n ARG 68 Ca 0.00 -0.03 -0.40 0.00 -1.93 0.00 0.00 57.85 55.49 3kno n ARG 68 Cb 0.00 -1.07 -0.04 0.00 -1.16 0.00 0.00 32.46 30.19 3kno n ARG 68 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3kno s LEU 69 N -3.19 4.54 0.00 0.55 1.43 0.12 0.57 118.68 122.71 3kno s LEU 69 Ca -0.01 2.28 0.00 0.00 -1.03 0.00 0.00 54.13 55.37 3kno s LEU 69 Cb 0.02 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.61 3kno s LEU 69 CO 0.12 -0.17 0.00 0.00 0.23 0.00 0.00 176.35 176.53 3kno n TYR 70 N 1.26 -0.13 -3.50 0.29 -0.00 -0.70 -1.38 117.16 113.00 3kno n TYR 70 Ca -0.01 0.00 -0.42 0.00 -0.00 0.00 0.00 57.90 57.47 3kno n TYR 70 Cb 0.45 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.73 3kno n TYR 70 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 3kno s VAL 71 N -1.93 4.75 0.30 -3.48 1.01 0.66 -2.39 120.40 119.32 3kno s VAL 71 Ca 0.00 -2.58 0.06 0.00 0.00 0.00 0.00 61.98 59.45 3kno s VAL 71 Cb 0.00 -4.00 0.30 0.00 0.00 0.00 0.00 36.38 32.67 3kno s VAL 71 CO 0.00 -0.95 1.77 0.50 0.00 0.00 0.00 175.10 176.42 3kno h LYS 72 N 7.57 0.71 -2.17 2.72 1.63 0.28 -2.39 116.57 124.91 3kno h LYS 72 Ca 0.02 -0.04 0.10 0.00 -0.85 0.00 0.00 60.65 59.88 3kno h LYS 72 Cb 1.01 -0.16 -0.16 0.00 -0.60 0.00 0.00 32.23 32.32 3kno h LYS 72 CO 0.76 0.47 0.50 0.00 -3.45 0.00 0.00 179.45 177.72 3kno s ALA 73 N -5.86 -1.84 -0.04 5.00 0.00 -1.02 -4.77 121.76 113.22 3kno s ALA 73 Ca -0.11 1.10 -0.04 0.00 0.00 0.00 0.00 51.96 52.91 3kno s ALA 73 Cb 0.25 0.26 0.01 0.00 0.00 0.00 0.00 23.12 23.64 3kno s ALA 73 CO 0.80 -0.63 0.12 0.00 0.00 0.00 0.00 175.76 176.05 3kno s ALA 74 N -2.81 -0.29 -0.28 0.00 0.00 -1.26 -0.92 121.76 116.20 3kno s ALA 74 Ca 0.04 0.33 -0.22 0.00 0.00 0.00 0.00 51.96 52.11 3kno s ALA 74 Cb -0.01 -0.19 0.09 0.00 0.00 0.00 0.00 23.12 23.01 3kno s ALA 74 CO -0.07 -0.06 0.81 1.52 0.00 0.00 0.00 175.76 177.97 3kno s TYR 75 N 0.06 -0.76 -0.26 0.00 1.13 -0.96 -5.00 117.35 111.56 3kno s TYR 75 Ca -0.00 1.71 0.02 0.00 -1.41 0.00 0.00 57.07 57.40 3kno s TYR 75 Cb -0.01 0.38 0.07 0.00 -1.10 0.00 0.00 41.96 41.30 3kno s TYR 75 CO 0.00 -0.37 -0.07 0.54 -2.51 0.00 0.00 175.55 173.14 3kno s VAL 76 N 0.73 1.98 0.78 -3.49 0.11 -1.26 -1.63 120.40 117.62 3kno s VAL 76 Ca -0.02 -1.59 -0.09 0.00 -2.93 0.00 0.00 61.98 57.34 3kno s VAL 76 Cb -0.05 -2.18 0.10 0.00 -1.53 0.00 0.00 36.38 32.73 3kno s VAL 76 CO -0.07 -0.12 1.11 -1.81 -3.33 0.00 0.00 175.10 170.88 3kno s ASP 77 N 1.17 4.34 0.10 3.54 1.01 -0.79 -4.82 116.67 121.21 3kno s ASP 77 Ca -0.06 0.39 0.02 0.00 0.71 0.00 0.00 52.55 53.61 3kno s ASP 77 Cb -0.20 -0.85 -0.04 0.00 1.01 0.00 0.00 42.92 42.85 3kno s ASP 77 CO -0.06 -1.93 0.16 -0.70 0.21 0.00 0.00 175.17 172.85 3kno s GLU 78 N -5.44 3.16 0.41 8.23 2.12 -1.26 -0.48 118.70 125.44 3kno s GLU 78 Ca 0.64 -0.62 0.07 0.00 0.36 0.00 0.00 54.97 55.43 3kno s GLU 78 Cb -0.09 -2.86 -0.06 0.00 0.26 0.00 0.00 34.13 31.38 3kno s GLU 78 CO 0.47 0.56 0.12 0.20 -0.54 0.00 0.00 175.26 176.07 3kno s GLY 79 N -2.66 2.37 -0.19 -1.50 0.00 0.42 -4.75 107.32 101.01 3kno s GLY 79 Ca 0.32 -2.16 -0.40 0.00 0.00 0.00 0.00 44.72 42.48 3kno s GLY 79 CO 0.25 -1.97 1.59 -1.55 0.00 0.00 0.00 173.10 171.42 3kno n PRO 80 N -1.14 0.96 -0.43 2.90 -0.04 -1.26 -4.15 135.00 131.85 3kno n PRO 80 Ca -0.02 0.35 -0.28 0.00 -0.04 0.00 0.00 63.50 63.50 3kno n PRO 80 Cb 0.65 -1.99 0.27 0.00 -0.04 0.00 0.00 33.50 32.39 3kno n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kno n ALA 81 N 4.27 -3.38 -3.79 0.55 0.00 -1.26 -4.47 120.51 112.43 3kno n ALA 81 Ca 0.24 -1.33 -0.29 0.00 0.00 0.00 0.00 53.44 52.06 3kno n ALA 81 Cb 0.12 -1.94 -0.13 0.00 0.00 0.00 0.00 19.45 17.51 3kno n ALA 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kno s LEU 82 N -7.40 3.43 0.07 0.00 1.43 0.11 -4.93 118.68 111.39 3kno s LEU 82 Ca 0.69 -2.98 -0.31 0.00 -1.03 0.00 0.00 54.13 50.50 3kno s LEU 82 Cb -0.24 -1.27 -0.07 0.00 0.03 0.00 0.00 46.19 44.63 3kno s LEU 82 CO 0.65 -0.22 1.50 -0.54 0.23 0.00 0.00 176.35 177.97 3kno s LYS 83 N -0.17 4.26 0.01 1.70 1.02 -1.26 0.91 119.74 126.22 3kno s LYS 83 Ca 0.20 2.15 0.03 0.00 0.02 0.00 0.00 55.97 58.37 3kno s LYS 83 Cb -0.19 -3.46 -0.01 0.00 -0.52 0.00 0.00 37.83 33.65 3kno s LYS 83 CO -0.04 -0.60 -0.10 1.03 -0.92 0.00 0.00 175.35 174.72 3kno s ARG 84 N 2.03 0.75 0.49 1.68 1.81 0.51 -4.92 118.95 121.29 3kno s ARG 84 Ca 0.68 -0.51 -0.21 0.00 -1.72 0.00 0.00 55.73 53.97 3kno s ARG 84 Cb -0.37 -0.70 -0.07 0.00 -0.45 0.00 0.00 34.95 33.36 3kno s ARG 84 CO 0.30 0.18 1.09 0.08 -0.68 0.00 0.00 175.30 176.27 3kno s VAL 85 N -0.57 3.45 -0.27 3.52 1.01 -1.26 0.24 120.40 126.52 3kno s VAL 85 Ca 0.01 0.96 -0.02 0.00 0.00 0.00 0.00 61.98 62.92 3kno s VAL 85 Cb -0.06 -3.42 0.11 0.00 0.00 0.00 0.00 36.38 33.02 3kno s VAL 85 CO 0.00 -0.14 0.22 -0.22 0.00 0.00 0.00 175.10 174.96 3kno s LEU 86 N -3.41 0.09 -0.03 3.92 2.96 0.24 -4.74 118.68 117.70 3kno s LEU 86 Ca 0.67 -0.88 -0.30 0.00 -0.22 0.00 0.00 54.13 53.41 3kno s LEU 86 Cb -0.22 0.14 -0.07 0.00 0.50 0.00 0.00 46.19 46.54 3kno s LEU 86 CO 0.26 -0.40 1.91 -2.16 -1.32 0.00 0.00 176.35 174.64 3kno s PRO 87 N 2.25 4.01 0.57 0.98 0.04 -1.26 -0.82 135.00 140.77 3kno s PRO 87 Ca 0.09 2.40 0.08 0.00 0.04 0.00 0.00 61.00 63.61 3kno s PRO 87 Cb -0.15 -4.15 0.07 0.00 0.04 0.00 0.00 34.50 30.32 3kno s PRO 87 CO -0.31 -1.09 0.67 1.03 0.04 0.00 0.00 177.00 177.34 3kno s ARG 88 N 4.62 2.28 0.44 4.56 1.81 -1.26 -4.83 118.95 126.56 3kno s ARG 88 Ca 0.86 -1.78 -0.26 0.00 -1.72 0.00 0.00 55.73 52.84 3kno s ARG 88 Cb -0.39 -2.46 -0.09 0.00 -0.45 0.00 0.00 34.95 31.57 3kno s ARG 88 CO 0.38 -0.79 1.42 0.00 -0.68 0.00 0.00 175.30 175.62 3kno s ALA 89 N -2.71 3.28 -1.17 2.13 0.00 -1.26 -3.02 121.76 119.01 3kno s ALA 89 Ca 0.53 1.44 -0.02 0.00 0.00 0.00 0.00 51.96 53.91 3kno s ALA 89 Cb -0.05 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.50 3kno s ALA 89 CO 0.33 -1.13 0.28 0.54 0.00 0.00 0.00 175.76 175.78 3kno n ARG 90 N -0.08 -2.66 -3.65 0.00 1.74 -1.26 -3.23 116.66 107.53 3kno n ARG 90 Ca 0.04 0.68 -0.24 0.00 -0.77 0.00 0.00 57.85 57.56 3kno n ARG 90 Cb 0.42 -5.00 0.07 0.00 -1.02 0.00 0.00 32.46 26.93 3kno n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kno n GLY 91 N -1.20 -0.51 0.10 -0.13 0.00 -1.17 -4.95 105.19 97.34 3kno n GLY 91 Ca -0.12 0.22 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 3kno n GLY 91 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3kno h ARG 92 N -2.46 -0.12 -3.58 1.61 2.43 -1.56 -3.48 114.38 107.22 3kno h ARG 92 Ca -0.58 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.60 3kno h ARG 92 Cb 1.37 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.94 3kno h ARG 92 CO 0.58 0.29 -0.58 0.00 -1.51 0.00 0.00 179.97 178.75 3kno n ALA 93 N -2.66 -2.44 -2.66 2.80 0.00 -1.26 -4.86 120.51 109.43 3kno n ALA 93 Ca -0.06 0.30 -0.24 0.00 0.00 0.00 0.00 53.44 53.44 3kno n ALA 93 Cb 0.23 -0.88 -0.07 0.00 0.00 0.00 0.00 19.45 18.72 3kno n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kno s ASP 94 N -0.35 4.66 -0.32 0.00 -0.00 0.00 -4.89 116.67 115.76 3kno s ASP 94 Ca -0.00 -0.55 -0.08 0.00 -0.00 0.00 0.00 52.55 51.92 3kno s ASP 94 Cb 0.00 -0.92 0.01 0.00 -0.00 0.00 0.00 42.92 42.01 3kno s ASP 94 CO 0.01 0.03 0.13 0.27 -0.00 0.00 0.00 175.17 175.60 3kno s ILE 95 N -2.11 4.21 0.18 0.77 -4.36 -1.26 0.79 121.20 119.41 3kno s ILE 95 Ca 0.30 -0.74 -0.21 0.00 -0.26 0.00 0.00 60.65 59.74 3kno s ILE 95 Cb -0.07 -3.24 -0.08 0.00 1.25 0.00 0.00 42.46 40.32 3kno s ILE 95 CO 0.20 -0.04 0.70 -0.51 0.24 0.00 0.00 174.94 175.53 3kno s ILE 96 N 1.52 4.56 -0.34 8.37 1.10 0.67 -4.80 121.20 132.28 3kno s ILE 96 Ca 0.02 1.36 -0.08 0.00 -0.51 0.00 0.00 60.65 61.44 3kno s ILE 96 Cb -0.18 -3.93 0.03 0.00 0.15 0.00 0.00 42.46 38.53 3kno s ILE 96 CO 0.04 0.35 0.14 -0.54 -2.11 0.00 0.00 174.94 172.82 3kno s LYS 97 N -1.62 2.81 -0.86 3.50 1.02 -1.26 0.19 119.74 123.52 3kno s LYS 97 Ca 0.39 -1.06 -0.23 0.00 0.02 0.00 0.00 55.97 55.08 3kno s LYS 97 Cb -0.19 -3.54 0.06 0.00 -0.52 0.00 0.00 37.83 33.64 3kno s LYS 97 CO 0.22 -0.62 1.26 0.15 -0.92 0.00 0.00 175.35 175.43 3kno s LYS 98 N 1.48 3.39 0.74 1.68 -0.14 0.26 -4.80 119.74 122.35 3kno s LYS 98 Ca 0.01 -0.92 -0.12 0.00 -1.36 0.00 0.00 55.97 53.58 3kno s LYS 98 Cb -0.19 -4.74 0.04 0.00 -1.68 0.00 0.00 37.83 31.27 3kno s LYS 98 CO 0.04 -2.05 1.09 1.03 -0.76 0.00 0.00 175.35 174.71 3kno s ARG 99 N 4.64 2.41 0.09 1.68 0.52 -1.26 0.08 118.95 127.10 3kno s ARG 99 Ca 0.36 1.22 0.03 0.00 -0.52 0.00 0.00 55.73 56.82 3kno s ARG 99 Cb -0.06 -1.91 -0.04 0.00 0.52 0.00 0.00 34.95 33.46 3kno s ARG 99 CO 0.01 -1.53 -0.10 -0.08 0.02 0.00 0.00 175.30 173.62 3kno s THR 100 N -2.77 0.89 0.30 0.02 -1.32 -1.26 -2.76 115.64 108.74 3kno s THR 100 Ca 0.62 -1.62 0.11 0.00 -1.21 0.00 0.00 61.69 59.59 3kno s THR 100 Cb -0.18 -1.33 -0.05 0.00 -1.51 0.00 0.00 72.50 69.43 3kno s THR 100 CO 0.52 -0.57 -0.16 -0.44 -2.21 0.00 0.00 174.62 171.77 3kno s SER 101 N -2.43 3.52 -0.54 8.08 0.01 -1.21 -0.44 113.70 120.69 3kno s SER 101 Ca 0.05 -1.09 0.04 0.00 1.31 0.00 0.00 55.95 56.25 3kno s SER 101 Cb -0.03 -0.30 0.15 0.00 0.21 0.00 0.00 66.02 66.06 3kno s SER 101 CO -0.00 -0.07 0.35 -1.00 0.41 0.00 0.00 173.24 172.93 3kno s HIS 102 N -2.60 2.62 0.03 2.43 3.76 0.37 -1.52 115.29 120.38 3kno s HIS 102 Ca 0.30 -2.87 -0.30 0.00 -0.15 0.00 0.00 55.06 52.04 3kno s HIS 102 Cb -0.02 -2.19 -0.06 0.00 1.11 0.00 0.00 32.58 31.42 3kno s HIS 102 CO 0.15 -0.70 1.32 0.42 -0.85 0.00 0.00 174.74 175.08 3kno s ILE 103 N -0.46 3.79 -0.13 0.60 1.01 -0.99 -1.89 121.20 123.12 3kno s ILE 103 Ca 0.22 1.22 -0.00 0.00 0.00 0.00 0.00 60.65 62.10 3kno s ILE 103 Cb -0.13 -3.79 0.02 0.00 0.01 0.00 0.00 42.46 38.58 3kno s ILE 103 CO -0.09 0.04 -0.10 -0.89 0.00 0.00 0.00 174.94 173.90 3kno s THR 104 N 1.78 1.28 -0.10 2.92 2.01 -0.65 -0.85 115.64 122.04 3kno s THR 104 Ca 0.62 -0.47 -0.00 0.00 0.31 0.00 0.00 61.69 62.14 3kno s THR 104 Cb -0.31 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 70.91 3kno s THR 104 CO 0.27 0.39 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.84 3kno s VAL 105 N 1.60 3.68 -0.21 3.82 1.01 -1.26 -2.26 120.40 126.78 3kno s VAL 105 Ca 0.05 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.56 3kno s VAL 105 Cb -0.13 -2.54 0.05 0.00 0.00 0.00 0.00 36.38 33.77 3kno s VAL 105 CO -0.09 0.56 -0.05 -0.63 0.00 0.00 0.00 175.10 174.89 3kno s ILE 106 N -0.38 1.36 0.12 2.22 1.01 -0.09 -2.43 121.20 123.00 3kno s ILE 106 Ca 0.05 -0.98 -0.15 0.00 0.00 0.00 0.00 60.65 59.57 3kno s ILE 106 Cb -0.12 -1.59 -0.07 0.00 0.01 0.00 0.00 42.46 40.69 3kno s ILE 106 CO 0.02 -0.01 0.53 -0.76 0.00 0.00 0.00 174.94 174.73 3kno s LEU 107 N 1.49 4.39 0.08 2.97 1.02 -0.92 0.91 118.68 128.63 3kno s LEU 107 Ca -0.03 1.09 -0.01 0.00 0.02 0.00 0.00 54.13 55.20 3kno s LEU 107 Cb -0.17 -3.12 -0.04 0.00 0.02 0.00 0.00 46.19 42.88 3kno s LEU 107 CO -0.07 0.16 0.01 -0.83 0.02 0.00 0.00 176.35 175.64 3kno s GLY 108 N -1.55 0.65 0.29 -3.19 0.00 -1.01 -3.20 107.32 99.33 3kno s GLY 108 Ca 0.35 -1.29 -0.28 0.00 0.00 0.00 0.00 44.72 43.49 3kno s GLY 108 CO 0.19 -1.32 1.05 -0.54 0.00 0.00 0.00 173.10 172.48 3kno s GLU 109 N -3.97 4.60 0.00 2.90 0.41 -1.26 -1.72 118.70 119.66 3kno s GLU 109 Ca 0.13 1.67 0.00 0.00 -0.41 0.00 0.00 54.97 56.36 3kno s GLU 109 Cb 0.08 -3.08 0.00 0.00 -1.78 0.00 0.00 34.13 29.35 3kno s GLU 109 CO -0.06 0.21 0.00 1.17 -0.49 0.00 0.00 175.26 176.10 3kno n LYS 110 N 1.00 0.00 0.00 1.61 3.00 0.19 -4.92 118.16 119.05 3kno n LYS 110 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3kno n LYS 110 Cb 0.46 -0.11 0.00 0.00 0.00 0.00 0.00 35.03 35.39 3kno n LYS 110 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 3kno n HIS 111 N 0.00 0.00 -1.80 5.64 1.44 -1.26 -5.09 115.22 114.16 3kno n HIS 111 Ca 0.00 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.82 3kno n HIS 111 Cb 0.00 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.08 3kno n HIS 111 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3kno n GLY 112 N 0.00 -1.85 0.65 -1.39 0.00 -1.26 -5.30 105.19 96.04 3kno n GLY 112 Ca 0.00 -1.23 0.08 0.00 0.00 0.00 0.00 46.02 44.87 3kno n GLY 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60