#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knl n LEU 2 N 0.00 -7.33 0.00 3.17 -0.00 -1.26 -4.82 117.00 106.76 3knl n LEU 2 Ca 0.00 1.48 0.07 0.00 -0.00 0.00 0.00 56.01 57.56 3knl n LEU 2 Cb 0.00 -3.17 0.39 0.00 -0.00 0.00 0.00 43.42 40.64 3knl n LEU 2 CO 0.00 -3.20 0.68 0.35 -0.00 0.00 0.00 177.39 175.21 3knl n THR 3 N 0.94 0.00 -3.11 1.96 -2.24 -1.26 -4.50 114.28 106.08 3knl n THR 3 Ca -0.06 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.75 3knl n THR 3 Cb 0.14 -0.36 -0.00 0.00 -2.10 0.00 0.00 70.33 68.01 3knl n THR 3 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3knl s ASP 4 N -1.62 -1.13 0.14 3.42 3.68 -1.26 -4.87 116.67 115.02 3knl s ASP 4 Ca 0.20 -0.14 -0.25 0.00 2.13 0.00 0.00 52.55 54.49 3knl s ASP 4 Cb 0.09 1.60 -0.01 0.00 -1.45 0.00 0.00 42.92 43.15 3knl s ASP 4 CO 0.15 -0.17 1.62 -0.65 0.13 0.00 0.00 175.17 176.25 3knl h PRO 5 N 7.18 -0.34 -0.79 4.34 0.11 -1.96 -1.72 132.00 138.82 3knl h PRO 5 Ca -0.02 0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.19 3knl h PRO 5 Cb 1.19 0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.31 3knl h PRO 5 CO 0.05 -0.23 0.46 0.82 -0.21 0.00 0.00 178.00 178.89 3knl h ILE 6 N -0.35 0.97 0.44 4.15 5.03 -1.98 0.30 117.51 126.07 3knl h ILE 6 Ca 0.10 -0.28 -0.01 0.00 -0.12 0.00 0.00 64.86 64.55 3knl h ILE 6 Cb 0.51 0.08 -0.02 0.00 -3.03 0.00 0.00 36.82 34.35 3knl h ILE 6 CO -0.34 0.15 -0.43 0.00 -0.68 0.00 0.00 178.15 176.85 3knl h ALA 7 N 1.41 -0.95 -0.15 1.87 0.00 -1.85 -0.48 119.26 119.10 3knl h ALA 7 Ca 0.36 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.16 3knl h ALA 7 Cb 0.24 0.61 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 3knl h ALA 7 CO -0.20 -1.07 -0.22 0.22 0.00 0.00 0.00 179.25 177.97 3knl h ASP 8 N -0.88 -0.69 0.11 0.00 3.58 -0.54 0.39 116.42 118.40 3knl h ASP 8 Ca -0.04 0.12 0.01 0.00 0.42 0.00 0.00 57.03 57.53 3knl h ASP 8 Cb 0.78 0.31 -0.04 0.00 1.72 0.00 0.00 39.33 42.10 3knl h ASP 8 CO -0.06 -0.27 -0.48 -0.03 -2.88 0.00 0.00 179.24 175.52 3knl h MET 9 N -0.27 -0.66 -0.47 0.28 4.05 -0.26 2.65 114.93 120.26 3knl h MET 9 Ca 0.11 0.05 0.05 0.00 -0.28 0.00 0.00 59.70 59.62 3knl h MET 9 Cb 0.43 0.15 -0.08 0.00 -0.80 0.00 0.00 31.60 31.30 3knl h MET 9 CO -0.31 -0.44 -0.47 -0.07 0.23 0.00 0.00 176.91 175.85 3knl h LEU 10 N -0.69 -1.61 -2.14 3.39 3.38 -0.71 0.44 115.31 117.37 3knl h LEU 10 Ca -0.01 0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 3knl h LEU 10 Cb 0.69 0.68 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 3knl h LEU 10 CO -0.26 -0.30 -0.07 0.74 0.09 0.00 0.00 178.44 178.64 3knl h THR 11 N -0.24 0.50 -0.01 0.22 2.02 0.41 -0.76 112.91 115.05 3knl h THR 11 Ca 0.08 -0.34 -0.22 0.00 0.77 0.00 0.00 66.41 66.70 3knl h THR 11 Cb 0.45 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 3knl h THR 11 CO -0.57 0.07 -0.92 -0.09 0.37 0.00 0.00 175.52 174.38 3knl h ARG 12 N 0.00 0.42 -0.12 6.66 2.43 0.82 -1.69 114.38 122.89 3knl h ARG 12 Ca -0.00 -0.44 -0.02 0.00 -0.81 0.00 0.00 59.98 58.71 3knl h ARG 12 Cb 0.22 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3knl h ARG 12 CO 0.01 1.10 -0.01 0.82 -1.51 0.00 0.00 179.97 180.38 3knl h ILE 13 N 0.24 1.26 0.31 1.20 2.04 0.56 -2.77 117.51 120.35 3knl h ILE 13 Ca -0.07 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 3knl h ILE 13 Cb 1.55 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 39.19 3knl h ILE 13 CO 0.16 0.24 -0.39 -0.09 0.00 0.00 0.00 178.15 178.08 3knl h ARG 14 N -0.06 -0.68 -1.09 2.37 2.43 -1.18 -2.01 114.38 114.16 3knl h ARG 14 Ca 0.03 0.05 0.31 0.00 -0.81 0.00 0.00 59.98 59.57 3knl h ARG 14 Cb 0.38 0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.04 3knl h ARG 14 CO 0.01 -0.46 1.06 -0.91 -1.51 0.00 0.00 179.97 178.16 3knl h ASN 15 N -0.71 0.00 0.00 -3.80 2.35 -1.28 -1.15 115.58 110.99 3knl h ASN 15 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3knl h ASN 15 Cb 0.64 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.01 3knl h ASN 15 CO -0.09 0.00 -0.26 0.00 -1.65 0.00 0.00 177.43 175.43 3knl h ALA 16 N 0.90 0.00 -1.33 -0.83 0.00 -1.16 -3.36 119.26 113.48 3knl h ALA 16 Ca 0.52 -0.30 0.40 0.00 0.00 0.00 0.00 54.91 55.52 3knl h ALA 16 Cb 2.63 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 20.59 3knl h ALA 16 CO -0.01 0.26 0.91 1.79 0.00 0.00 0.00 179.25 182.20 3knl h THR 17 N -0.77 0.27 -0.32 0.00 1.35 -0.63 1.01 112.91 113.81 3knl h THR 17 Ca 0.00 -0.04 -0.02 0.00 -0.55 0.00 0.00 66.41 65.80 3knl h THR 17 Cb 0.26 0.14 -0.02 0.00 -1.73 0.00 0.00 68.15 66.81 3knl h THR 17 CO 0.00 0.02 0.13 -0.09 -0.25 0.00 0.00 175.52 175.33 3knl h ARG 18 N 0.12 0.45 -0.59 4.72 2.43 -1.40 -0.99 114.38 119.11 3knl h ARG 18 Ca 0.72 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.79 3knl h ARG 18 Cb 2.45 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 31.89 3knl h ARG 18 CO -0.21 0.37 0.06 1.33 -1.51 0.00 0.00 179.97 180.01 3knl n VAL 19 N -4.41 2.79 -3.11 0.20 0.24 0.35 -4.94 118.33 109.44 3knl n VAL 19 Ca 0.02 -1.50 -0.19 0.00 -2.04 0.00 0.00 64.34 60.62 3knl n VAL 19 Cb 0.13 -0.29 -0.01 0.00 -1.47 0.00 0.00 33.84 32.20 3knl n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3knl n TYR 20 N 0.38 -1.71 -2.23 6.34 4.01 -0.38 -4.92 117.16 118.66 3knl n TYR 20 Ca 0.30 0.33 -0.39 0.00 -0.16 0.00 0.00 57.90 57.99 3knl n TYR 20 Cb 1.22 -2.74 -0.02 0.00 -0.31 0.00 0.00 39.34 37.50 3knl n TYR 20 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 3knl s LYS 21 N -5.73 4.07 0.19 -0.72 2.20 -1.18 -4.93 119.74 113.63 3knl s LYS 21 Ca 0.29 1.94 -0.05 0.00 -0.36 0.00 0.00 55.97 57.79 3knl s LYS 21 Cb -0.15 -2.74 0.11 0.00 -1.51 0.00 0.00 37.83 33.54 3knl s LYS 21 CO 0.35 -0.34 1.54 1.49 -0.36 0.00 0.00 175.35 178.04 3knl h GLU 22 N 2.73 0.71 -2.47 4.03 4.81 -1.92 -3.43 114.58 119.03 3knl h GLU 22 Ca -0.49 -0.37 -0.09 0.00 -0.13 0.00 0.00 59.36 58.29 3knl h GLU 22 Cb 1.24 0.01 -0.20 0.00 0.63 0.00 0.00 28.75 30.42 3knl h GLU 22 CO 0.63 0.98 -0.04 -1.54 -0.73 0.00 0.00 179.01 178.31 3knl s SER 23 N -6.85 -0.47 0.08 1.04 1.04 -1.26 -2.23 113.70 105.05 3knl s SER 23 Ca -0.09 0.59 0.02 0.00 0.48 0.00 0.00 55.95 56.95 3knl s SER 23 Cb 0.12 0.61 -0.04 0.00 0.10 0.00 0.00 66.02 66.81 3knl s SER 23 CO 0.85 -0.44 -0.06 -0.89 0.98 0.00 0.00 173.24 173.67 3knl s THR 24 N -0.85 0.62 0.00 2.02 2.01 0.41 -4.99 115.64 114.86 3knl s THR 24 Ca -0.09 -1.74 0.00 0.00 0.31 0.00 0.00 61.69 60.17 3knl s THR 24 Cb -0.03 -1.44 0.00 0.00 0.01 0.00 0.00 72.50 71.04 3knl s THR 24 CO 0.06 -0.78 0.00 0.47 -0.69 0.00 0.00 174.62 173.67 3knl n ASP 25 N 0.29 0.00 0.00 3.53 9.92 -1.26 0.83 116.55 129.86 3knl n ASP 25 Ca -0.15 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.11 3knl n ASP 25 Cb 0.60 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.08 3knl n ASP 25 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 3knl n VAL 26 N 0.00 0.00 -1.66 2.53 3.14 -1.06 -4.61 118.33 116.68 3knl n VAL 26 Ca 0.00 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.95 3knl n VAL 26 Cb 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.75 3knl n VAL 26 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 3knl s PRO 27 N -1.79 3.31 0.81 1.45 0.02 -1.26 -0.94 135.00 136.60 3knl s PRO 27 Ca 0.00 2.07 -0.17 0.00 0.02 0.00 0.00 61.00 62.91 3knl s PRO 27 Cb 0.00 -4.32 -0.15 0.00 0.02 0.00 0.00 34.50 30.05 3knl s PRO 27 CO 0.00 -1.90 -0.54 0.00 -0.33 0.00 0.00 177.00 174.23 3knl n ALA 28 N 10.89 -4.57 0.00 -1.55 0.00 -0.89 -4.84 120.51 119.55 3knl n ALA 28 Ca 0.28 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3knl n ALA 28 Cb 0.45 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.65 3knl n ALA 28 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3knl n SER 29 N 3.11 0.00 0.35 0.00 2.88 -1.26 -4.94 113.62 113.76 3knl n SER 29 Ca 0.02 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.42 3knl n SER 29 Cb 0.53 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.92 3knl n SER 29 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3knl h ARG 30 N 0.00 -0.87 -0.87 -1.46 3.08 -1.99 -0.02 114.38 112.25 3knl h ARG 30 Ca 0.00 0.06 0.23 0.00 0.07 0.00 0.00 59.98 60.34 3knl h ARG 30 Cb 0.00 0.20 -0.15 0.00 0.08 0.00 0.00 29.97 30.10 3knl h ARG 30 CO 0.00 -0.58 0.18 0.35 -1.07 0.00 0.00 179.97 178.85 3knl h PHE 31 N -0.95 0.25 -0.73 3.04 3.57 -1.99 0.66 116.94 120.79 3knl h PHE 31 Ca -0.09 0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.54 3knl h PHE 31 Cb 0.69 0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.40 3knl h PHE 31 CO 0.06 -0.25 0.40 0.87 -2.23 0.00 0.00 178.31 177.17 3knl h LYS 32 N 0.16 0.69 0.48 1.11 1.57 -1.85 -2.16 116.57 116.57 3knl h LYS 32 Ca 0.54 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.27 3knl h LYS 32 Cb 1.08 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 3knl h LYS 32 CO -0.69 0.45 -0.45 0.93 -0.57 0.00 0.00 179.45 179.12 3knl h GLU 33 N 0.71 -0.90 -1.62 3.15 5.08 0.23 -1.47 114.58 119.76 3knl h GLU 33 Ca 0.34 0.06 0.52 0.00 -1.00 0.00 0.00 59.36 59.28 3knl h GLU 33 Cb 0.27 0.20 -0.12 0.00 0.50 0.00 0.00 28.75 29.61 3knl h GLU 33 CO -0.22 -0.60 1.10 0.93 -1.00 0.00 0.00 179.01 179.22 3knl h GLU 34 N -0.94 0.00 0.23 2.33 4.39 -0.68 1.19 114.58 121.11 3knl h GLU 34 Ca -0.05 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 3knl h GLU 34 Cb 0.81 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 3knl h GLU 34 CO -0.04 0.00 -0.11 0.82 -1.16 0.00 0.00 179.01 178.52 3knl h ILE 35 N 0.00 0.00 -0.91 3.13 2.04 -0.88 -3.25 117.51 117.64 3knl h ILE 35 Ca 0.91 -0.44 0.23 0.00 1.00 0.00 0.00 64.86 66.56 3knl h ILE 35 Cb 3.21 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 39.16 3knl h ILE 35 CO -0.29 0.00 0.42 -0.07 0.00 0.00 0.00 178.15 178.20 3knl h LEU 36 N -0.75 0.36 -0.92 1.44 3.38 -0.10 0.57 115.31 119.30 3knl h LEU 36 Ca -0.03 0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.13 3knl h LEU 36 Cb 0.24 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3knl h LEU 36 CO 0.05 -0.01 0.76 -0.09 0.09 0.00 0.00 178.44 179.25 3knl h ARG 37 N 0.41 0.00 0.00 1.13 2.43 0.12 0.84 114.38 119.31 3knl h ARG 37 Ca 0.58 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 59.41 3knl h ARG 37 Cb 1.12 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.61 3knl h ARG 37 CO -0.53 0.00 -2.26 -0.89 -1.51 0.00 0.00 179.97 174.77 3knl n ILE 38 N -2.79 1.27 -0.10 1.20 5.41 0.20 -3.38 119.36 121.16 3knl n ILE 38 Ca 0.02 -0.69 -0.03 0.00 1.00 0.00 0.00 62.75 63.05 3knl n ILE 38 Cb 0.82 -0.75 0.19 0.00 -0.71 0.00 0.00 39.64 39.20 3knl n ILE 38 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3knl h LEU 39 N 0.00 0.72 0.00 1.39 -0.00 0.67 0.42 115.31 118.51 3knl h LEU 39 Ca -0.50 -0.15 0.00 0.00 -0.00 0.00 0.00 57.88 57.23 3knl h LEU 39 Cb 2.02 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 42.49 3knl h LEU 39 CO -0.00 0.76 0.00 0.00 -0.00 0.00 0.00 178.44 179.20 3knl n ALA 40 N -2.47 -0.40 -0.09 1.53 0.00 0.13 -0.64 120.51 118.57 3knl n ALA 40 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.44 3knl n ALA 40 Cb 0.26 0.05 -0.02 0.00 0.00 0.00 0.00 19.45 19.74 3knl n ALA 40 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3knl h ARG 41 N 0.00 -0.00 0.00 0.00 2.43 -1.53 0.77 114.38 116.05 3knl h ARG 41 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3knl h ARG 41 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3knl h ARG 41 CO 0.00 -0.00 0.01 0.39 -1.51 0.00 0.00 179.97 178.86 3knl n GLU 42 N -3.47 0.00 -3.62 0.20 -0.58 0.15 -4.81 120.64 108.50 3knl n GLU 42 Ca 0.00 0.06 -0.21 0.00 -0.42 0.00 0.00 57.16 56.59 3knl n GLU 42 Cb 0.06 -1.51 0.05 0.00 -0.57 0.00 0.00 31.44 29.46 3knl n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3knl n GLY 43 N -0.98 -0.39 0.10 0.62 0.00 0.27 -4.90 105.19 99.91 3knl n GLY 43 Ca 0.00 0.16 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 3knl n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3knl n PHE 44 N -4.18 0.21 -4.09 1.61 3.72 0.19 -4.97 117.46 109.95 3knl n PHE 44 Ca -0.28 0.07 -0.15 0.00 -0.05 0.00 0.00 57.45 57.04 3knl n PHE 44 Cb 0.67 -1.04 -0.02 0.00 -0.94 0.00 0.00 39.48 38.15 3knl n PHE 44 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 3knl n ILE 45 N -2.90 0.00 -0.01 4.37 -5.35 -1.22 -3.64 119.36 110.61 3knl n ILE 45 Ca -0.32 -1.17 -0.22 0.00 -0.27 0.00 0.00 62.75 60.77 3knl n ILE 45 Cb 1.11 0.03 -0.14 0.00 -1.74 0.00 0.00 39.64 38.90 3knl n ILE 45 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 3knl h LYS 46 N 0.00 0.24 0.00 6.28 1.57 -1.67 -3.42 116.57 119.58 3knl h LYS 46 Ca -0.20 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 3knl h LYS 46 Cb 0.65 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.11 3knl h LYS 46 CO 0.32 1.19 0.00 0.41 -0.57 0.00 0.00 179.45 180.81 3knl n GLY 47 N 1.91 -0.39 3.80 3.86 0.00 -1.26 -4.95 105.19 108.17 3knl n GLY 47 Ca -0.32 -1.12 -0.09 0.00 0.00 0.00 0.00 46.02 44.50 3knl n GLY 47 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3knl s TYR 48 N -3.16 0.11 -0.29 1.61 -0.85 -1.25 -2.19 117.35 111.32 3knl s TYR 48 Ca 0.00 -0.72 -0.16 0.00 -0.52 0.00 0.00 57.07 55.67 3knl s TYR 48 Cb 0.00 0.76 0.15 0.00 0.38 0.00 0.00 41.96 43.26 3knl s TYR 48 CO 0.00 -1.48 1.00 -1.83 -1.52 0.00 0.00 175.55 171.72 3knl s GLU 49 N -2.68 0.34 0.35 -3.49 -1.05 -1.03 -4.93 118.70 106.21 3knl s GLU 49 Ca 0.15 0.62 -0.25 0.00 -0.15 0.00 0.00 54.97 55.34 3knl s GLU 49 Cb -0.05 0.12 -0.13 0.00 -0.44 0.00 0.00 34.13 33.63 3knl s GLU 49 CO 0.11 -0.08 0.82 0.54 0.95 0.00 0.00 175.26 177.60 3knl n ARG 50 N 3.83 0.97 0.00 -4.83 1.74 -1.26 -1.99 116.66 115.12 3knl n ARG 50 Ca -0.17 0.35 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 3knl n ARG 50 Cb 0.57 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 3knl n ARG 50 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3knl n VAL 51 N -0.30 0.00 -3.37 1.55 0.24 0.27 -4.84 118.33 111.89 3knl n VAL 51 Ca 0.11 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.43 3knl n VAL 51 Cb 0.35 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.70 3knl n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3knl s ASP 52 N 1.07 -1.27 -0.21 -1.34 2.15 -1.26 -2.72 116.67 113.09 3knl s ASP 52 Ca 0.00 1.17 -0.13 0.00 0.43 0.00 0.00 52.55 54.03 3knl s ASP 52 Cb 0.00 2.22 -0.05 0.00 -0.30 0.00 0.00 42.92 44.79 3knl s ASP 52 CO 0.00 -0.24 0.26 -0.69 -0.17 0.00 0.00 175.17 174.33 3knl s VAL 53 N 2.87 5.30 -0.34 1.11 1.01 -0.35 -4.54 120.40 125.47 3knl s VAL 53 Ca 0.09 0.42 -0.01 0.00 0.00 0.00 0.00 61.98 62.48 3knl s VAL 53 Cb -0.14 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.66 3knl s VAL 53 CO -0.20 0.33 0.04 -0.67 0.00 0.00 0.00 175.10 174.60 3knl n ASP 54 N 4.12 0.02 0.00 3.32 -0.08 -1.26 0.24 116.55 122.92 3knl n ASP 54 Ca -0.12 -0.26 0.00 0.00 -1.51 0.00 0.00 54.79 52.90 3knl n ASP 54 Cb 0.52 -0.33 0.00 0.00 2.34 0.00 0.00 41.12 43.65 3knl n ASP 54 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3knl n GLY 55 N -1.11 3.01 3.71 0.27 0.00 -1.26 -5.05 105.19 104.76 3knl n GLY 55 Ca -0.04 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 3knl n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3knl s LYS 56 N 0.00 4.31 0.21 1.61 -2.85 0.14 -4.97 119.74 118.19 3knl s LYS 56 Ca 0.00 2.08 -0.31 0.00 -1.00 0.00 0.00 55.97 56.74 3knl s LYS 56 Cb 0.00 -3.28 -0.11 0.00 -2.06 0.00 0.00 37.83 32.38 3knl s LYS 56 CO 0.00 -0.46 1.62 -1.25 0.10 0.00 0.00 175.35 175.36 3knl s PRO 57 N 1.23 4.17 0.29 1.78 0.04 -1.26 -1.21 135.00 140.03 3knl s PRO 57 Ca 0.65 2.49 0.04 0.00 0.04 0.00 0.00 61.00 64.21 3knl s PRO 57 Cb -0.37 -3.10 -0.02 0.00 0.04 0.00 0.00 34.50 31.06 3knl s PRO 57 CO 0.30 -0.65 0.15 0.66 0.04 0.00 0.00 177.00 177.49 3knl n TYR 58 N 3.57 -0.14 -4.29 0.56 4.02 -1.10 -2.09 117.16 117.69 3knl n TYR 58 Ca 0.13 -2.01 -0.18 0.00 -0.01 0.00 0.00 57.90 55.83 3knl n TYR 58 Cb 0.37 0.07 -0.14 0.00 -0.02 0.00 0.00 39.34 39.62 3knl n TYR 58 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3knl s LEU 59 N 0.00 2.06 -0.38 7.72 1.43 -0.12 -0.56 118.68 128.83 3knl s LEU 59 Ca 0.21 -0.22 -0.10 0.00 -1.03 0.00 0.00 54.13 52.98 3knl s LEU 59 Cb 0.01 -0.41 0.04 0.00 0.03 0.00 0.00 46.19 45.86 3knl s LEU 59 CO 0.15 0.06 0.21 -0.13 0.23 0.00 0.00 176.35 176.86 3knl s ARG 60 N -0.44 2.76 -0.30 1.70 1.81 -0.84 -2.56 118.95 121.08 3knl s ARG 60 Ca 0.02 -1.16 -0.11 0.00 -1.72 0.00 0.00 55.73 52.76 3knl s ARG 60 Cb -0.04 -3.72 -0.03 0.00 -0.45 0.00 0.00 34.95 30.71 3knl s ARG 60 CO -0.00 -0.75 0.18 0.08 -0.68 0.00 0.00 175.30 174.13 3knl s VAL 61 N 1.52 4.99 -0.05 3.52 1.01 0.24 -2.46 120.40 129.17 3knl s VAL 61 Ca 0.02 -0.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.78 3knl s VAL 61 Cb -0.20 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 3knl s VAL 61 CO 0.06 0.16 0.28 -0.31 0.00 0.00 0.00 175.10 175.29 3knl s TYR 62 N 1.70 3.67 -0.08 5.22 2.02 -0.93 -0.45 117.35 128.50 3knl s TYR 62 Ca 0.06 0.78 -0.03 0.00 -0.37 0.00 0.00 57.07 57.51 3knl s TYR 62 Cb -0.16 -2.13 -0.04 0.00 -0.40 0.00 0.00 41.96 39.23 3knl s TYR 62 CO 0.09 0.69 0.04 -0.51 -1.57 0.00 0.00 175.55 174.28 3knl s LEU 63 N -1.06 3.77 0.14 -1.29 2.01 -0.95 -2.02 118.68 119.28 3knl s LEU 63 Ca 0.20 0.20 -0.05 0.00 0.01 0.00 0.00 54.13 54.49 3knl s LEU 63 Cb -0.15 -1.92 -0.06 0.00 0.01 0.00 0.00 46.19 44.08 3knl s LEU 63 CO 0.09 0.37 0.38 -0.75 1.01 0.00 0.00 176.35 177.45 3knl s LYS 64 N -1.02 3.64 0.10 1.70 2.20 -1.24 -4.63 119.74 120.49 3knl s LYS 64 Ca 0.15 -0.05 -0.00 0.00 -0.36 0.00 0.00 55.97 55.70 3knl s LYS 64 Cb -0.12 -2.86 -0.04 0.00 -1.51 0.00 0.00 37.83 33.31 3knl s LYS 64 CO 0.04 0.47 -0.01 0.71 -0.36 0.00 0.00 175.35 176.21 3knl s TYR 65 N -1.64 0.76 0.00 4.03 1.51 -1.26 -3.71 117.35 117.05 3knl s TYR 65 Ca 0.40 -1.09 0.00 0.00 -1.01 0.00 0.00 57.07 55.37 3knl s TYR 65 Cb -0.12 -0.47 0.00 0.00 -0.11 0.00 0.00 41.96 41.25 3knl s TYR 65 CO 0.24 -0.36 0.00 0.41 -1.11 0.00 0.00 175.55 174.72 3knl n GLY 66 N -0.02 -1.29 3.91 0.71 0.00 -0.38 -4.93 105.19 103.19 3knl n GLY 66 Ca -0.10 -1.58 -0.27 0.00 0.00 0.00 0.00 46.02 44.06 3knl n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3knl s PRO 67 N -1.25 3.01 0.00 1.61 0.04 -1.26 -4.78 135.00 132.37 3knl s PRO 67 Ca 0.00 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.14 3knl s PRO 67 Cb 0.00 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.29 3knl s PRO 67 CO 0.00 -0.68 0.00 -2.13 0.04 0.00 0.00 177.00 174.23 3knl n ARG 68 N -2.60 -0.76 -3.53 4.56 0.63 -1.26 -4.14 116.66 109.56 3knl n ARG 68 Ca 0.04 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.89 3knl n ARG 68 Cb 0.57 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.45 3knl n ARG 68 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 3knl s ARG 69 N -1.85 0.72 0.00 -0.14 3.52 -0.96 -4.78 118.95 115.47 3knl s ARG 69 Ca 0.00 -0.16 0.00 0.00 -0.13 0.00 0.00 55.73 55.44 3knl s ARG 69 Cb 0.00 0.33 0.00 0.00 -1.56 0.00 0.00 34.95 33.72 3knl s ARG 69 CO 0.00 -0.29 0.00 1.04 -0.81 0.00 0.00 175.30 175.24 3knl n GLN 70 N 0.04 -1.05 0.00 5.12 1.13 -1.26 -4.51 117.38 116.85 3knl n GLN 70 Ca -0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.98 3knl n GLN 70 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.95 3knl n GLN 70 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3knl n GLY 71 N 0.00 0.14 3.79 1.08 0.00 -1.26 -4.36 105.19 104.58 3knl n GLY 71 Ca 0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 3knl n GLY 71 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3knl s PRO 72 N 0.00 2.20 -1.25 1.61 0.02 -1.26 -3.90 135.00 132.41 3knl s PRO 72 Ca 0.00 0.82 -0.02 0.00 0.02 0.00 0.00 61.00 61.83 3knl s PRO 72 Cb 0.00 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.61 3knl s PRO 72 CO 0.00 -1.59 0.97 -3.47 -0.33 0.00 0.00 177.00 172.58 3knl n ASP 73 N -3.44 -2.56 0.32 2.53 4.64 -1.26 -4.79 116.55 111.99 3knl n ASP 73 Ca 0.07 -0.65 0.09 0.00 -1.38 0.00 0.00 54.79 52.92 3knl n ASP 73 Cb 0.55 -4.89 0.46 0.00 -1.04 0.00 0.00 41.12 36.20 3knl n ASP 73 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 3knl h PRO 74 N -2.01 0.00 -5.96 -0.67 0.13 -1.76 -3.43 132.00 118.30 3knl h PRO 74 Ca -0.59 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 63.93 3knl h PRO 74 Cb 1.35 0.00 0.17 0.00 0.13 0.00 0.00 31.00 32.64 3knl h PRO 74 CO 0.52 0.00 -1.03 0.54 -0.23 0.00 0.00 178.00 177.81 3knl n ARG 75 N -2.67 0.00 -1.87 0.86 1.74 -1.26 -2.27 116.66 111.20 3knl n ARG 75 Ca -0.01 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.77 3knl n ARG 75 Cb 0.63 -0.99 0.07 0.00 -1.02 0.00 0.00 32.46 31.14 3knl n ARG 75 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3knl s PRO 76 N -0.99 2.42 -0.14 5.56 0.04 -1.26 -4.65 135.00 135.98 3knl s PRO 76 Ca 0.58 0.32 -0.22 0.00 0.04 0.00 0.00 61.00 61.72 3knl s PRO 76 Cb -0.57 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 31.95 3knl s PRO 76 CO 0.64 -1.32 0.67 -2.00 0.04 0.00 0.00 177.00 175.03 3knl s GLU 77 N -5.44 4.32 1.33 4.56 2.12 -1.26 -4.86 118.70 119.46 3knl s GLU 77 Ca 0.60 0.76 -0.21 0.00 0.36 0.00 0.00 54.97 56.48 3knl s GLU 77 Cb -0.11 -3.51 0.33 0.00 0.26 0.00 0.00 34.13 31.10 3knl s GLU 77 CO 0.51 -0.10 1.01 -0.65 -0.54 0.00 0.00 175.26 175.48 3knl s GLN 78 N 1.40 -2.20 0.00 4.30 -0.21 -1.26 -1.25 119.66 120.44 3knl s GLN 78 Ca 0.33 0.07 0.01 0.00 0.02 0.00 0.00 55.36 55.79 3knl s GLN 78 Cb -0.17 -1.47 0.01 0.00 1.00 0.00 0.00 33.01 32.39 3knl s GLN 78 CO 0.13 -4.39 0.86 0.28 -2.12 0.00 0.00 175.29 170.05 3knl n VAL 79 N -5.27 0.68 -2.69 1.09 0.31 -1.24 -4.57 118.33 106.64 3knl n VAL 79 Ca 0.13 -0.84 -0.09 0.00 -0.01 0.00 0.00 64.34 63.52 3knl n VAL 79 Cb 0.60 0.66 0.04 0.00 -0.91 0.00 0.00 33.84 34.23 3knl n VAL 79 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3knl n ILE 80 N -0.30 0.73 -0.29 2.52 5.41 -1.26 -4.75 119.36 121.42 3knl n ILE 80 Ca 0.00 -2.81 0.04 0.00 1.00 0.00 0.00 62.75 60.98 3knl n ILE 80 Cb 0.18 0.70 0.10 0.00 -0.71 0.00 0.00 39.64 39.91 3knl n ILE 80 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 3knl n HIS 81 N -0.14 0.25 -3.97 1.39 8.25 -0.14 -4.38 115.22 116.47 3knl n HIS 81 Ca 0.07 0.98 -0.16 0.00 -0.26 0.00 0.00 57.72 58.35 3knl n HIS 81 Cb 0.82 -0.94 -0.15 0.00 1.12 0.00 0.00 29.99 30.84 3knl n HIS 81 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3knl s HIS 82 N -5.97 0.28 -0.44 4.41 5.65 -0.62 -5.05 115.29 113.56 3knl s HIS 82 Ca -0.12 -0.02 0.05 0.00 0.25 0.00 0.00 55.06 55.22 3knl s HIS 82 Cb 0.21 -0.29 0.17 0.00 -1.18 0.00 0.00 32.58 31.49 3knl s HIS 82 CO 0.61 -0.07 0.47 -1.50 -0.65 0.00 0.00 174.74 173.60 3knl s ILE 83 N 0.53 -0.17 0.38 0.89 2.07 -1.26 -1.57 121.20 122.07 3knl s ILE 83 Ca -0.05 -1.93 -0.01 0.00 -1.41 0.00 0.00 60.65 57.25 3knl s ILE 83 Cb -0.08 -0.79 -0.03 0.00 0.13 0.00 0.00 42.46 41.69 3knl s ILE 83 CO -0.01 -0.77 0.61 -0.60 -1.91 0.00 0.00 174.94 172.26 3knl s ARG 84 N 0.48 3.50 0.09 3.50 3.52 -0.92 -4.83 118.95 124.30 3knl s ARG 84 Ca 0.30 -0.19 -0.08 0.00 -0.13 0.00 0.00 55.73 55.63 3knl s ARG 84 Cb 0.00 -2.58 -0.06 0.00 -1.56 0.00 0.00 34.95 30.75 3knl s ARG 84 CO -0.13 0.05 0.38 0.50 -0.81 0.00 0.00 175.30 175.30 3knl s ARG 85 N -4.43 3.70 0.00 5.12 3.00 -1.26 -1.95 118.95 123.13 3knl s ARG 85 Ca 0.42 0.08 0.00 0.00 -1.00 0.00 0.00 55.73 55.23 3knl s ARG 85 Cb -0.10 -2.96 0.00 0.00 0.00 0.00 0.00 34.95 31.89 3knl s ARG 85 CO 0.38 0.54 0.00 -0.89 0.00 0.00 0.00 175.30 175.33 3knl n ILE 86 N 0.69 0.00 -1.68 4.11 2.08 -0.73 -4.89 119.36 118.94 3knl n ILE 86 Ca -0.07 0.00 -0.46 0.00 0.56 0.00 0.00 62.75 62.79 3knl n ILE 86 Cb 0.52 -0.21 -0.04 0.00 -0.75 0.00 0.00 39.64 39.16 3knl n ILE 86 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 3knl n SER 87 N 0.00 3.46 -4.75 4.38 2.88 -0.37 -4.89 113.62 114.34 3knl n SER 87 Ca 0.00 1.03 -0.22 0.00 -1.33 0.00 0.00 58.87 58.34 3knl n SER 87 Cb 0.00 -1.45 -0.06 0.00 -0.75 0.00 0.00 64.21 61.96 3knl n SER 87 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3knl s LYS 88 N 2.24 2.59 0.55 -1.46 1.02 -1.22 -4.90 119.74 118.56 3knl s LYS 88 Ca 0.83 -1.29 0.26 0.00 0.02 0.00 0.00 55.97 55.79 3knl s LYS 88 Cb -0.63 -2.35 1.57 0.00 -0.52 0.00 0.00 37.83 35.91 3knl s LYS 88 CO 0.41 0.31 2.17 -1.00 -0.92 0.00 0.00 175.35 176.32 3knl h PRO 89 N 1.61 0.00 -0.84 -1.68 0.13 -1.93 -2.45 132.00 126.84 3knl h PRO 89 Ca -0.46 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.08 3knl h PRO 89 Cb 1.25 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 32.00 3knl h PRO 89 CO 0.61 0.05 -0.21 0.41 -0.23 0.00 0.00 178.00 178.62 3knl n GLY 90 N -1.18 6.22 0.00 1.56 0.00 -1.26 -4.66 105.19 105.86 3knl n GLY 90 Ca -0.03 -2.54 0.00 0.00 0.00 0.00 0.00 46.02 43.46 3knl n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3knl n ARG 91 N -0.79 0.00 -1.44 1.61 0.00 -0.93 -5.16 116.66 109.96 3knl n ARG 91 Ca 0.51 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.94 3knl n ARG 91 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.32 3knl n ARG 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3knl n ARG 92 N 0.00 0.51 -3.54 -0.14 5.12 -1.16 -3.39 116.66 114.06 3knl n ARG 92 Ca 0.00 0.18 -0.29 0.00 -1.93 0.00 0.00 57.85 55.81 3knl n ARG 92 Cb 0.00 -1.44 -0.15 0.00 -1.16 0.00 0.00 32.46 29.72 3knl n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3knl s VAL 93 N -1.45 0.00 0.12 1.55 1.01 -1.26 -4.88 120.40 115.49 3knl s VAL 93 Ca 0.63 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.75 3knl s VAL 93 Cb -0.63 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 3knl s VAL 93 CO 0.59 -0.76 0.09 -0.31 0.00 0.00 0.00 175.10 174.71 3knl s TYR 94 N 1.96 3.14 0.40 5.22 2.02 -1.26 -1.70 117.35 127.13 3knl s TYR 94 Ca 0.10 0.02 0.04 0.00 -0.37 0.00 0.00 57.07 56.86 3knl s TYR 94 Cb -0.17 -1.56 -0.04 0.00 -0.40 0.00 0.00 41.96 39.79 3knl s TYR 94 CO -0.32 0.52 0.08 0.14 -1.57 0.00 0.00 175.55 174.39 3knl s VAL 95 N -1.53 0.96 -0.15 0.71 -7.23 -0.81 -4.89 120.40 107.47 3knl s VAL 95 Ca 0.30 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.48 3knl s VAL 95 Cb -0.11 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.33 3knl s VAL 95 CO 0.22 0.00 -0.19 -0.83 -0.31 0.00 0.00 175.10 173.99 3knl s GLY 96 N -3.61 1.41 0.06 2.32 0.00 -1.26 -3.73 107.32 102.52 3knl s GLY 96 Ca 0.26 -1.07 0.04 0.00 0.00 0.00 0.00 44.72 43.95 3knl s GLY 96 CO 0.13 -0.01 0.25 1.55 0.00 0.00 0.00 173.10 175.02 3knl n VAL 97 N 4.05 -0.05 0.00 1.40 3.14 -1.26 0.10 118.33 125.72 3knl n VAL 97 Ca -0.20 0.30 0.00 0.00 -2.96 0.00 0.00 64.34 61.48 3knl n VAL 97 Cb 0.52 -0.48 0.00 0.00 -1.06 0.00 0.00 33.84 32.81 3knl n VAL 97 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 3knl n LYS 98 N -3.10 0.00 -2.90 1.45 5.02 -1.26 -4.30 118.16 113.07 3knl n LYS 98 Ca 0.06 0.45 -0.43 0.00 -2.02 0.00 0.00 58.31 56.37 3knl n LYS 98 Cb 0.23 -1.39 -0.04 0.00 -0.02 0.00 0.00 35.03 33.81 3knl n LYS 98 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3knl s GLU 99 N -2.56 3.13 -0.04 1.97 4.04 0.12 -4.97 118.70 120.38 3knl s GLU 99 Ca 0.00 -0.96 0.02 0.00 0.04 0.00 0.00 54.97 54.07 3knl s GLU 99 Cb 0.00 -4.28 0.01 0.00 0.02 0.00 0.00 34.13 29.88 3knl s GLU 99 CO 0.00 -1.78 -0.09 0.42 -1.84 0.00 0.00 175.26 171.98 3knl s ILE 100 N 3.78 0.81 0.14 1.83 1.01 -1.26 -4.08 121.20 123.42 3knl s ILE 100 Ca 0.21 -0.33 -0.35 0.00 0.00 0.00 0.00 60.65 60.19 3knl s ILE 100 Cb -0.17 -0.75 -0.16 0.00 0.01 0.00 0.00 42.46 41.39 3knl s ILE 100 CO 0.08 0.27 1.33 -2.65 0.00 0.00 0.00 174.94 173.97 3knl n PRO 101 N 3.62 1.39 -2.47 2.79 -0.02 -1.26 -4.88 135.00 134.17 3knl n PRO 101 Ca -0.21 0.50 -0.43 0.00 -2.02 0.00 0.00 63.50 61.34 3knl n PRO 101 Cb 0.53 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 3knl n PRO 101 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3knl n ARG 102 N 2.36 3.47 -1.41 -0.52 3.00 -1.26 -4.89 116.66 117.43 3knl n ARG 102 Ca 0.16 -3.53 -0.50 0.00 -0.01 0.00 0.00 57.85 53.97 3knl n ARG 102 Cb 0.23 -3.01 -0.10 0.00 0.00 0.00 0.00 32.46 29.58 3knl n ARG 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3knl n VAL 103 N 3.95 0.06 -2.03 1.55 0.31 -1.26 -0.02 118.33 120.89 3knl n VAL 103 Ca 0.40 -0.17 -0.21 0.00 -0.01 0.00 0.00 64.34 64.35 3knl n VAL 103 Cb 0.39 -1.14 -0.05 0.00 -0.91 0.00 0.00 33.84 32.13 3knl n VAL 103 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3knl n ARG 104 N 8.14 -1.55 -3.06 5.55 3.00 -1.26 -0.11 116.66 127.37 3knl n ARG 104 Ca 0.51 1.10 -0.04 0.00 -0.00 0.00 0.00 57.85 59.42 3knl n ARG 104 Cb 0.13 -5.63 0.00 0.00 0.00 0.00 0.00 32.46 26.97 3knl n ARG 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3knl n ARG 105 N -2.72 -1.61 0.00 -0.14 5.12 0.97 -3.44 116.66 114.84 3knl n ARG 105 Ca -0.23 1.61 0.00 0.00 -1.93 0.00 0.00 57.85 57.30 3knl n ARG 105 Cb 0.68 -5.46 0.00 0.00 -1.16 0.00 0.00 32.46 26.52 3knl n ARG 105 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3knl n GLY 106 N -1.36 0.86 0.30 -0.13 0.00 -1.16 -4.69 105.19 99.02 3knl n GLY 106 Ca 0.01 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.22 3knl n GLY 106 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3knl h LEU 107 N 0.00 0.00 0.00 0.99 3.38 -1.61 -3.45 115.31 114.62 3knl h LEU 107 Ca 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 3knl h LEU 107 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3knl h LEU 107 CO 0.00 0.02 -0.15 0.61 0.09 0.00 0.00 178.44 179.01 3knl n GLY 108 N -0.60 2.96 3.38 0.83 0.00 0.84 -4.93 105.19 107.66 3knl n GLY 108 Ca -0.01 -2.24 -0.19 0.00 0.00 0.00 0.00 46.02 43.57 3knl n GLY 108 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3knl s ILE 109 N -1.44 1.42 -0.41 -0.61 2.07 -0.84 -4.67 121.20 116.73 3knl s ILE 109 Ca 0.15 -2.10 0.06 0.00 -1.41 0.00 0.00 60.65 57.35 3knl s ILE 109 Cb -0.01 -2.35 0.20 0.00 0.13 0.00 0.00 42.46 40.43 3knl s ILE 109 CO 0.09 -0.35 0.44 0.00 -1.91 0.00 0.00 174.94 173.21 3knl n ALA 110 N -0.49 2.34 -1.56 1.50 0.00 -1.26 -2.51 120.51 118.52 3knl n ALA 110 Ca -0.06 -3.05 -0.37 0.00 0.00 0.00 0.00 53.44 49.96 3knl n ALA 110 Cb 0.63 -0.83 0.06 0.00 0.00 0.00 0.00 19.45 19.32 3knl n ALA 110 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3knl n ILE 111 N 2.31 3.61 -3.19 0.00 5.41 -1.03 -2.88 119.36 123.59 3knl n ILE 111 Ca 0.26 -0.47 0.04 0.00 1.00 0.00 0.00 62.75 63.57 3knl n ILE 111 Cb 0.51 -1.15 -0.04 0.00 -0.71 0.00 0.00 39.64 38.25 3knl n ILE 111 CO 0.00 0.00 0.00 -1.48 0.00 0.00 0.00 176.55 175.07 3knl s LEU 112 N -2.44 -0.11 0.19 1.39 0.05 -0.79 -2.72 118.68 114.25 3knl s LEU 112 Ca 0.76 0.13 -0.32 0.00 0.05 0.00 0.00 54.13 54.76 3knl s LEU 112 Cb -0.39 1.12 -0.12 0.00 -2.05 0.00 0.00 46.19 44.75 3knl s LEU 112 CO 0.47 -0.02 1.72 -0.55 -0.55 0.00 0.00 176.35 177.42 3knl s SER 113 N 2.18 6.41 0.37 1.48 0.15 -1.17 -3.19 113.70 119.92 3knl s SER 113 Ca -0.01 2.83 0.03 0.00 0.70 0.00 0.00 55.95 59.51 3knl s SER 113 Cb -0.02 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 3knl s SER 113 CO -0.15 -0.96 0.10 0.42 1.20 0.00 0.00 173.24 173.84 3knl s THR 114 N 1.37 0.83 0.58 6.45 -4.23 -0.70 -0.50 115.64 119.44 3knl s THR 114 Ca 0.75 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.54 3knl s THR 114 Cb -0.49 -2.54 0.37 0.00 1.34 0.00 0.00 72.50 71.18 3knl s THR 114 CO 0.32 0.00 2.04 0.77 -0.54 0.00 0.00 174.62 177.21 3knl h SER 115 N 1.95 0.00 -0.58 3.99 4.64 -1.95 0.20 113.55 121.80 3knl h SER 115 Ca -0.38 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.69 3knl h SER 115 Cb 1.26 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.20 3knl h SER 115 CO 0.62 0.00 0.19 0.29 -0.87 0.00 0.00 176.83 177.06 3knl n LYS 116 N -3.91 2.45 0.00 4.77 5.02 -1.26 -5.08 118.16 120.15 3knl n LYS 116 Ca 0.04 -3.08 0.00 0.00 -2.02 0.00 0.00 58.31 53.26 3knl n LYS 116 Cb 0.44 -1.99 0.00 0.00 -0.02 0.00 0.00 35.03 33.46 3knl n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3knl n GLY 117 N -0.87 -0.26 3.57 0.72 0.00 0.69 -4.87 105.19 104.18 3knl n GLY 117 Ca 0.40 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.17 3knl n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knl s VAL 118 N -1.25 3.42 0.20 1.61 1.01 -1.26 -1.72 120.40 122.41 3knl s VAL 118 Ca 0.00 0.36 0.09 0.00 0.00 0.00 0.00 61.98 62.42 3knl s VAL 118 Cb 0.00 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 3knl s VAL 118 CO 0.00 -0.64 -0.17 -0.76 0.00 0.00 0.00 175.10 173.53 3knl s LEU 119 N 8.07 2.52 0.63 3.92 1.43 -1.19 -4.97 118.68 129.09 3knl s LEU 119 Ca 0.74 -0.97 0.03 0.00 -1.03 0.00 0.00 54.13 52.89 3knl s LEU 119 Cb -0.17 -0.79 0.09 0.00 0.03 0.00 0.00 46.19 45.35 3knl s LEU 119 CO 0.27 -0.09 0.88 0.42 0.23 0.00 0.00 176.35 178.05 3knl s THR 120 N -2.59 2.31 0.01 5.49 -4.23 -1.26 -1.89 115.64 113.48 3knl s THR 120 Ca 0.21 -0.73 -0.05 0.00 -1.18 0.00 0.00 61.69 59.95 3knl s THR 120 Cb -0.03 -2.58 -0.02 0.00 1.34 0.00 0.00 72.50 71.21 3knl s THR 120 CO 0.08 0.00 1.08 -2.24 -0.54 0.00 0.00 174.62 173.00 3knl h ASP 121 N -0.17 -0.23 -0.97 3.99 2.03 -1.89 0.65 116.42 119.83 3knl h ASP 121 Ca -0.36 0.02 0.30 0.00 -0.73 0.00 0.00 57.03 56.26 3knl h ASP 121 Cb 1.28 0.08 -0.15 0.00 -0.83 0.00 0.00 39.33 39.71 3knl h ASP 121 CO 0.43 -0.08 0.48 0.03 -1.03 0.00 0.00 179.24 179.07 3knl h ARG 122 N -0.11 0.28 0.00 4.15 3.08 -1.93 0.15 114.38 120.00 3knl h ARG 122 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3knl h ARG 122 Cb 0.11 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3knl h ARG 122 CO -0.04 0.18 0.00 0.39 -1.07 0.00 0.00 179.97 179.44 3knl n GLU 123 N -5.10 0.00 -0.35 0.04 1.02 -0.52 -1.61 120.64 114.12 3knl n GLU 123 Ca 0.29 0.02 0.25 0.00 -0.02 0.00 0.00 57.16 57.71 3knl n GLU 123 Cb 0.91 -0.97 0.49 0.00 -0.02 0.00 0.00 31.44 31.86 3knl n GLU 123 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3knl h ALA 124 N -2.00 2.06 -0.13 0.62 0.00 -0.78 0.56 119.26 119.59 3knl h ALA 124 Ca 0.00 0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.11 3knl h ALA 124 Cb 0.00 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 3knl h ALA 124 CO 0.00 -0.65 -0.48 -0.09 0.00 0.00 0.00 179.25 178.03 3knl h ARG 125 N 0.31 -0.52 0.07 0.00 2.43 -0.93 1.86 114.38 117.59 3knl h ARG 125 Ca 0.73 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.93 3knl h ARG 125 Cb 1.74 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.41 3knl h ARG 125 CO -0.55 -0.35 -0.03 -0.22 -1.51 0.00 0.00 179.97 177.31 3knl h LYS 126 N -0.54 -0.08 -1.02 0.20 3.64 0.32 -2.80 116.57 116.29 3knl h LYS 126 Ca 0.06 0.01 0.28 0.00 -1.27 0.00 0.00 60.65 59.72 3knl h LYS 126 Cb 0.66 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.44 3knl h LYS 126 CO -0.42 0.45 0.70 1.25 -2.27 0.00 0.00 179.45 179.17 3knl h LEU 127 N -0.69 0.18 -2.21 5.20 7.12 0.05 -3.46 115.31 121.51 3knl h LEU 127 Ca -0.01 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.03 3knl h LEU 127 Cb 0.58 -0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.70 3knl h LEU 127 CO 0.01 0.05 0.00 0.61 -0.13 0.00 0.00 178.44 178.98 3knl n GLY 128 N -1.63 0.75 3.43 3.75 0.00 0.61 -5.02 105.19 107.07 3knl n GLY 128 Ca 0.23 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 3knl n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3knl s VAL 129 N -2.78 0.00 0.10 1.61 -7.23 0.11 -5.01 120.40 107.20 3knl s VAL 129 Ca 0.00 -1.67 0.02 0.00 -1.81 0.00 0.00 61.98 58.51 3knl s VAL 129 Cb 0.00 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 3knl s VAL 129 CO 0.00 0.00 -0.07 -0.83 -0.31 0.00 0.00 175.10 173.89 3knl s GLY 130 N -3.14 0.77 0.00 2.32 0.00 -1.26 -4.10 107.32 101.91 3knl s GLY 130 Ca 0.31 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.68 3knl s GLY 130 CO 0.14 -1.45 0.00 0.61 0.00 0.00 0.00 173.10 172.40 3knl n GLY 131 N -0.04 2.36 3.09 0.20 0.00 -1.24 -4.09 105.19 105.47 3knl n GLY 131 Ca -0.12 0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 3knl n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3knl s GLU 132 N 3.34 1.92 -0.67 1.61 2.12 0.35 -1.92 118.70 125.45 3knl s GLU 132 Ca 0.00 -1.69 -0.26 0.00 0.36 0.00 0.00 54.97 53.38 3knl s GLU 132 Cb 0.00 -3.31 -0.13 0.00 0.26 0.00 0.00 34.13 30.96 3knl s GLU 132 CO 0.00 -0.89 2.45 -0.11 -0.54 0.00 0.00 175.26 176.17 3knl n LEU 133 N 4.46 1.61 0.03 2.70 0.00 -0.69 -3.06 117.00 122.05 3knl n LEU 133 Ca -0.03 -0.58 -0.15 0.00 0.00 0.00 0.00 56.01 55.25 3knl n LEU 133 Cb 0.42 -1.41 -0.04 0.00 0.00 0.00 0.00 43.42 42.38 3knl n LEU 133 CO 0.27 -1.62 0.24 0.40 0.00 0.00 0.00 177.39 176.67 3knl h ILE 134 N 7.72 1.33 0.00 1.96 1.08 -1.81 -0.97 117.51 126.82 3knl h ILE 134 Ca -0.14 -2.18 0.00 0.00 -0.39 0.00 0.00 64.86 62.15 3knl h ILE 134 Cb 1.22 2.19 0.00 0.00 -3.07 0.00 0.00 36.82 37.15 3knl h ILE 134 CO 1.20 0.67 0.00 0.00 -0.69 0.00 0.00 178.15 179.33 3knl s GLU 136 N -2.00 0.80 0.17 0.00 -1.05 -0.82 -2.46 118.70 113.34 3knl s GLU 136 Ca 0.00 -1.03 -0.06 0.00 -0.15 0.00 0.00 54.97 53.72 3knl s GLU 136 Cb 0.00 -0.62 -0.02 0.00 -0.44 0.00 0.00 34.13 33.05 3knl s GLU 136 CO 0.00 0.12 0.23 0.08 0.95 0.00 0.00 175.26 176.63 3knl s VAL 137 N -1.86 0.06 0.00 1.83 1.01 -1.05 -2.17 120.40 118.23 3knl s VAL 137 Ca 0.01 -1.62 0.00 0.00 0.00 0.00 0.00 61.98 60.37 3knl s VAL 137 Cb -0.07 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.28 3knl s VAL 137 CO 0.01 -0.26 0.00 -2.67 0.00 0.00 0.00 175.10 172.18