#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmn s VAL 2 N 0.00 4.86 0.00 -3.33 -7.23 -1.26 -4.33 120.40 109.11 2kmn s VAL 2 Ca 0.00 1.69 0.00 0.00 -1.81 0.00 0.00 61.98 61.86 2kmn s VAL 2 Cb 0.00 -4.15 0.00 0.00 0.56 0.00 0.00 36.38 32.79 2kmn s VAL 2 CO 0.00 0.27 0.00 0.00 -0.31 0.00 0.00 175.10 175.06 2kmn n LEU 3 N 3.40 0.00 -4.58 1.32 -0.00 -1.26 -4.95 117.00 110.93 2kmn n LEU 3 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.58 2kmn n LEU 3 Cb 0.51 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.89 2kmn n LEU 3 CO 0.48 -0.48 0.76 -1.58 -0.00 0.00 0.00 177.39 176.57 2kmn s GLN 4 N -2.85 3.66 -0.12 1.47 2.00 -1.26 -5.00 119.66 117.55 2kmn s GLN 4 Ca 0.00 0.33 -0.21 0.00 -2.00 0.00 0.00 55.36 53.47 2kmn s GLN 4 Cb 0.00 -3.88 -0.03 0.00 0.80 0.00 0.00 33.01 29.90 2kmn s GLN 4 CO 0.00 -1.12 0.63 0.08 -0.50 0.00 0.00 175.29 174.38 2kmn s VAL 5 N 3.66 5.07 0.16 1.34 1.01 -1.26 -3.73 120.40 126.65 2kmn s VAL 5 Ca 0.38 1.26 -0.20 0.00 0.00 0.00 0.00 61.98 63.42 2kmn s VAL 5 Cb -0.11 -3.96 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 2kmn s VAL 5 CO 0.24 0.22 0.66 -0.76 0.00 0.00 0.00 175.10 175.46 2kmn s LEU 6 N 1.14 4.43 0.07 3.92 1.43 0.31 -4.96 118.68 125.02 2kmn s LEU 6 Ca 0.32 1.36 0.08 0.00 -1.03 0.00 0.00 54.13 54.86 2kmn s LEU 6 Cb -0.16 -3.31 -0.04 0.00 0.03 0.00 0.00 46.19 42.71 2kmn s LEU 6 CO 0.14 0.14 -0.18 -1.00 0.23 0.00 0.00 176.35 175.67 2kmn s HIS 7 N -1.35 2.55 0.56 0.29 3.76 -1.26 -3.99 115.29 115.85 2kmn s HIS 7 Ca 0.37 -0.26 -0.21 0.00 -0.15 0.00 0.00 55.06 54.82 2kmn s HIS 7 Cb -0.18 -1.42 -0.05 0.00 1.11 0.00 0.00 32.58 32.04 2kmn s HIS 7 CO 0.21 0.31 1.25 -0.89 -0.85 0.00 0.00 174.74 174.77 2kmn n ILE 8 N 1.25 3.80 -1.75 0.60 2.08 -1.06 -1.09 119.36 123.19 2kmn n ILE 8 Ca -0.16 -0.50 -0.33 0.00 0.56 0.00 0.00 62.75 62.32 2kmn n ILE 8 Cb 0.52 -1.51 -0.02 0.00 -0.75 0.00 0.00 39.64 37.88 2kmn n ILE 8 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 2kmn n PRO 9 N -0.99 3.06 -1.68 0.38 -0.04 -1.26 -4.92 135.00 129.54 2kmn n PRO 9 Ca 0.11 -2.94 -0.44 0.00 -0.04 0.00 0.00 63.50 60.19 2kmn n PRO 9 Cb 0.45 -2.27 -0.02 0.00 -0.04 0.00 0.00 33.50 31.61 2kmn n PRO 9 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2kmn n ASP 10 N 0.65 2.79 -0.21 3.54 2.03 -0.25 -4.89 116.55 120.21 2kmn n ASP 10 Ca 0.52 1.16 -0.05 0.00 0.52 0.00 0.00 54.79 56.94 2kmn n ASP 10 Cb 0.41 -1.45 0.05 0.00 -0.72 0.00 0.00 41.12 39.42 2kmn n ASP 10 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2kmn h GLU 11 N 3.83 0.72 -0.14 -0.67 4.11 -1.97 -2.20 114.58 118.26 2kmn h GLU 11 Ca -0.45 -0.04 0.04 0.00 0.07 0.00 0.00 59.36 58.98 2kmn h GLU 11 Cb 1.28 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2kmn h GLU 11 CO 0.73 0.47 0.16 0.00 0.07 0.00 0.00 179.01 180.44 2kmn h ARG 12 N 0.74 0.00 -0.02 1.06 2.47 -1.90 0.55 114.38 117.28 2kmn h ARG 12 Ca 0.24 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.78 2kmn h ARG 12 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 2kmn h ARG 12 CO -0.09 0.00 -0.79 -0.07 0.56 0.00 0.00 179.97 179.57 2kmn h LEU 13 N 0.00 0.25 -1.90 3.04 3.38 -1.56 -2.52 115.31 116.00 2kmn h LEU 13 Ca 0.07 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2kmn h LEU 13 Cb 0.39 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2kmn h LEU 13 CO -0.00 0.94 0.00 0.54 0.09 0.00 0.00 178.44 180.01 2kmn n ARG 14 N -3.72 2.22 -2.96 1.13 5.12 0.14 -4.13 116.66 114.47 2kmn n ARG 14 Ca -0.03 -1.87 -0.34 0.00 -1.93 0.00 0.00 57.85 53.68 2kmn n ARG 14 Cb 0.75 -1.45 -0.06 0.00 -1.16 0.00 0.00 32.46 30.53 2kmn n ARG 14 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2kmn s LYS 15 N -1.47 4.23 -0.07 5.56 2.20 0.17 -4.30 119.74 126.06 2kmn s LYS 15 Ca 0.36 0.98 -0.27 0.00 -0.36 0.00 0.00 55.97 56.68 2kmn s LYS 15 Cb 0.20 -2.50 -0.03 0.00 -1.51 0.00 0.00 37.83 34.00 2kmn s LYS 15 CO 0.28 0.16 0.89 0.08 -0.36 0.00 0.00 175.35 176.40 2kmn s VAL 16 N -1.89 4.90 0.05 4.02 1.01 -1.26 0.31 120.40 127.53 2kmn s VAL 16 Ca 0.54 1.82 -0.17 0.00 0.00 0.00 0.00 61.98 64.18 2kmn s VAL 16 Cb -0.13 -4.21 -0.06 0.00 0.00 0.00 0.00 36.38 31.98 2kmn s VAL 16 CO 0.18 0.13 0.49 0.00 0.00 0.00 0.00 175.10 175.89 2kmn s ALA 17 N 1.37 3.64 -0.12 5.51 0.00 0.90 -4.75 121.76 128.31 2kmn s ALA 17 Ca 0.45 -0.11 -0.04 0.00 0.00 0.00 0.00 51.96 52.26 2kmn s ALA 17 Cb -0.19 -2.50 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 2kmn s ALA 17 CO 0.21 0.45 0.04 0.21 0.00 0.00 0.00 175.76 176.66 2kmn s LYS 18 N -1.18 3.36 -0.38 0.00 2.20 -1.26 -4.25 119.74 118.23 2kmn s LYS 18 Ca 0.27 -0.35 -0.27 0.00 -0.36 0.00 0.00 55.97 55.26 2kmn s LYS 18 Cb -0.18 -2.98 0.02 0.00 -1.51 0.00 0.00 37.83 33.19 2kmn s LYS 18 CO 0.16 0.58 1.01 -1.25 -0.36 0.00 0.00 175.35 175.50 2kmn s PRO 19 N -0.53 3.87 0.43 4.03 0.04 -1.26 -1.87 135.00 139.72 2kmn s PRO 19 Ca 0.10 0.71 -0.24 0.00 0.04 0.00 0.00 61.00 61.60 2kmn s PRO 19 Cb -0.12 -3.81 -0.08 0.00 0.04 0.00 0.00 34.50 30.54 2kmn s PRO 19 CO 0.02 -1.03 1.22 0.08 0.04 0.00 0.00 177.00 177.33 2kmn s VAL 20 N 3.73 2.90 0.54 -0.36 1.01 -1.26 -4.92 120.40 122.04 2kmn s VAL 20 Ca 0.42 0.73 0.22 0.00 0.00 0.00 0.00 61.98 63.35 2kmn s VAL 20 Cb -0.11 -3.40 0.30 0.00 0.00 0.00 0.00 36.38 33.17 2kmn s VAL 20 CO 0.20 0.05 2.18 -0.33 0.00 0.00 0.00 175.10 177.21 2kmn h GLU 21 N 2.34 0.00 -2.28 2.72 5.08 -2.03 -3.44 114.58 116.97 2kmn h GLU 21 Ca -0.49 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.79 2kmn h GLU 21 Cb 1.25 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.29 2kmn h GLU 21 CO 0.61 0.01 0.02 -2.00 -1.00 0.00 0.00 179.01 176.66 2kmn s GLU 22 N -4.84 0.81 -0.57 2.33 2.12 -1.26 -5.12 118.70 112.17 2kmn s GLU 22 Ca -0.05 0.54 -0.28 0.00 0.36 0.00 0.00 54.97 55.54 2kmn s GLU 22 Cb 0.16 0.39 0.03 0.00 0.26 0.00 0.00 34.13 34.97 2kmn s GLU 22 CO 0.62 -0.17 1.18 0.08 -0.54 0.00 0.00 175.26 176.43 2kmn s VAL 23 N -0.34 4.04 0.29 3.70 1.01 -1.26 -5.02 120.40 122.81 2kmn s VAL 23 Ca -0.05 0.93 -0.06 0.00 0.00 0.00 0.00 61.98 62.79 2kmn s VAL 23 Cb -0.03 -4.71 -0.06 0.00 0.00 0.00 0.00 36.38 31.58 2kmn s VAL 23 CO 0.04 -1.31 0.57 0.20 0.00 0.00 0.00 175.10 174.60 2kmn s ASN 24 N 2.91 6.49 0.59 3.32 0.01 -1.26 -4.89 114.94 122.11 2kmn s ASN 24 Ca 0.43 0.79 0.29 0.00 -0.71 0.00 0.00 52.86 53.67 2kmn s ASN 24 Cb -0.07 -2.18 1.59 0.00 0.41 0.00 0.00 41.25 41.00 2kmn s ASN 24 CO 0.26 -0.19 2.01 0.00 -1.51 0.00 0.00 177.10 177.67 2kmn h ALA 25 N 1.83 1.92 -0.08 0.60 0.00 -1.98 0.78 119.26 122.34 2kmn h ALA 25 Ca -0.47 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.25 2kmn h ALA 25 Cb 1.18 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.01 2kmn h ALA 25 CO 0.67 -0.47 -0.64 0.93 0.00 0.00 0.00 179.25 179.74 2kmn h GLU 26 N 0.00 0.57 -0.28 0.00 5.08 -2.00 -2.01 114.58 115.95 2kmn h GLU 26 Ca 0.13 -0.51 -0.08 0.00 -1.00 0.00 0.00 59.36 57.90 2kmn h GLU 26 Cb 0.78 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 2kmn h GLU 26 CO -0.00 1.14 -0.19 0.82 -1.00 0.00 0.00 179.01 179.78 2kmn h ILE 27 N 0.18 1.25 -0.45 3.13 5.03 -0.21 -2.25 117.51 124.18 2kmn h ILE 27 Ca -0.06 -1.15 -0.13 0.00 -0.12 0.00 0.00 64.86 63.40 2kmn h ILE 27 Cb 1.30 1.24 -0.01 0.00 -3.03 0.00 0.00 36.82 36.32 2kmn h ILE 27 CO 0.13 0.37 -0.24 1.56 -0.68 0.00 0.00 178.15 179.29 2kmn h GLN 28 N 0.45 0.94 -0.71 2.37 4.20 0.32 -2.44 115.11 120.24 2kmn h GLN 28 Ca 0.08 -0.41 -0.05 0.00 0.06 0.00 0.00 58.65 58.32 2kmn h GLN 28 Cb 0.58 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.31 2kmn h GLN 28 CO 0.04 1.07 0.23 0.00 -0.67 0.00 0.00 178.83 179.50 2kmn h ARG 29 N 0.80 1.08 -0.32 1.46 3.08 -1.09 0.46 114.38 119.85 2kmn h ARG 29 Ca 0.10 -0.22 0.05 0.00 0.07 0.00 0.00 59.98 59.98 2kmn h ARG 29 Cb 0.81 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.65 2kmn h ARG 29 CO 0.07 0.92 0.06 0.82 -1.07 0.00 0.00 179.97 180.76 2kmn h ILE 30 N 1.04 0.83 -0.55 2.04 5.03 -1.12 -1.54 117.51 123.24 2kmn h ILE 30 Ca 0.23 -0.06 -0.11 0.00 -0.12 0.00 0.00 64.86 64.80 2kmn h ILE 30 Cb 0.28 0.65 -0.02 0.00 -3.03 0.00 0.00 36.82 34.70 2kmn h ILE 30 CO -0.01 0.03 -0.10 0.58 -0.68 0.00 0.00 178.15 177.97 2kmn h VAL 31 N 0.17 1.27 -0.51 1.67 2.07 -1.10 -0.94 116.25 118.87 2kmn h VAL 31 Ca 0.15 -1.26 0.09 0.00 0.82 0.00 0.00 66.70 66.50 2kmn h VAL 31 Cb 0.17 0.95 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 2kmn h VAL 31 CO -0.21 0.45 0.08 0.44 0.02 0.00 0.00 177.57 178.35 2kmn h ASP 32 N 0.92 -0.05 0.80 0.57 5.19 -0.23 0.68 116.42 124.30 2kmn h ASP 32 Ca 0.14 0.10 -0.14 0.00 -0.62 0.00 0.00 57.03 56.52 2kmn h ASP 32 Cb 0.67 0.15 -0.02 0.00 0.18 0.00 0.00 39.33 40.31 2kmn h ASP 32 CO 0.05 0.00 -0.64 0.44 -3.12 0.00 0.00 179.24 175.97 2kmn h ASP 33 N 0.21 0.00 -0.31 6.45 5.19 -1.25 -2.63 116.42 124.08 2kmn h ASP 33 Ca 0.26 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.68 2kmn h ASP 33 Cb 0.37 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.86 2kmn h ASP 33 CO -0.36 0.64 0.19 0.24 -3.12 0.00 0.00 179.24 176.84 2kmn h MET 34 N 0.00 0.39 -0.14 3.56 2.86 0.55 0.96 114.93 123.11 2kmn h MET 34 Ca -0.01 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.55 2kmn h MET 34 Cb 1.22 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.79 2kmn h MET 34 CO 0.08 0.26 -0.17 0.27 1.06 0.00 0.00 176.91 178.41 2kmn h PHE 35 N 0.40 0.43 -1.00 -0.22 -5.15 -1.42 -0.02 116.94 109.96 2kmn h PHE 35 Ca 0.12 -0.14 0.17 0.00 -0.20 0.00 0.00 57.97 57.92 2kmn h PHE 35 Cb -0.02 -0.09 -0.10 0.00 0.22 0.00 0.00 35.95 35.96 2kmn h PHE 35 CO -0.07 0.78 0.62 0.93 -2.00 0.00 0.00 178.31 178.57 2kmn h GLU 36 N -0.04 0.78 0.49 6.09 4.39 -1.11 0.19 114.58 125.37 2kmn h GLU 36 Ca 0.02 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 2kmn h GLU 36 Cb 0.72 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2kmn h GLU 36 CO 0.04 0.51 -0.23 1.15 -1.16 0.00 0.00 179.01 179.32 2kmn h THR 37 N 0.80 0.00 -0.97 1.13 2.02 0.11 -2.26 112.91 113.75 2kmn h THR 37 Ca 0.55 -0.40 0.26 0.00 0.77 0.00 0.00 66.41 67.59 2kmn h THR 37 Cb 0.81 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.08 2kmn h THR 37 CO -0.33 0.00 0.50 -0.03 0.37 0.00 0.00 175.52 176.03 2kmn h MET 38 N -1.06 0.40 -0.31 6.66 1.85 0.15 1.18 114.93 123.80 2kmn h MET 38 Ca -0.07 -0.02 -0.11 0.00 -0.61 0.00 0.00 59.70 58.89 2kmn h MET 38 Cb 0.50 -0.09 -0.01 0.00 0.43 0.00 0.00 31.60 32.44 2kmn h MET 38 CO 0.11 0.27 -0.23 1.88 -0.40 0.00 0.00 176.91 178.54 2kmn h TYR 39 N 0.41 0.83 0.00 1.39 -1.99 -0.75 0.57 116.97 117.43 2kmn h TYR 39 Ca 0.65 -0.23 -0.01 0.00 2.00 0.00 0.00 58.73 61.14 2kmn h TYR 39 Cb 1.33 -0.18 -0.00 0.00 2.00 0.00 0.00 36.73 39.87 2kmn h TYR 39 CO -0.06 0.96 -0.04 0.00 -0.00 0.00 0.00 178.16 179.01 2kmn h ALA 40 N 0.74 1.41 0.00 3.88 0.00 0.17 1.08 119.26 126.54 2kmn h ALA 40 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2kmn h ALA 40 Cb 0.78 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2kmn h ALA 40 CO 0.06 0.05 -0.47 -1.91 0.00 0.00 0.00 179.25 176.98 2kmn n GLU 41 N -3.73 0.10 -2.12 0.00 4.07 0.18 -4.91 120.64 114.23 2kmn n GLU 41 Ca -0.03 0.03 -0.17 0.00 -0.06 0.00 0.00 57.16 56.93 2kmn n GLU 41 Cb 0.13 -1.57 -0.03 0.00 -0.06 0.00 0.00 31.44 29.92 2kmn n GLU 41 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2kmn n GLU 42 N -1.72 -1.35 -2.79 5.31 1.02 0.37 -4.97 120.64 116.51 2kmn n GLU 42 Ca 0.05 0.92 -0.36 0.00 -0.02 0.00 0.00 57.16 57.75 2kmn n GLU 42 Cb 0.37 -5.33 -0.07 0.00 -0.02 0.00 0.00 31.44 26.39 2kmn n GLU 42 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2kmn s GLY 43 N -2.37 2.73 0.00 0.62 0.00 0.18 -4.95 107.32 103.53 2kmn s GLY 43 Ca 0.00 0.50 0.31 0.00 0.00 0.00 0.00 44.72 45.53 2kmn s GLY 43 CO 0.00 0.92 2.16 1.39 0.00 0.00 0.00 173.10 177.57 2kmn n ILE 44 N 0.36 0.00 0.00 0.90 2.08 -1.26 -4.48 119.36 116.96 2kmn n ILE 44 Ca 0.03 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.34 2kmn n ILE 44 Cb 0.51 -0.52 0.00 0.00 -0.75 0.00 0.00 39.64 38.88 2kmn n ILE 44 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2kmn n GLY 45 N 0.95 1.89 3.18 7.39 0.00 -1.26 0.17 105.19 117.51 2kmn n GLY 45 Ca 0.23 0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 2kmn n GLY 45 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kmn s LEU 46 N 0.00 1.98 -0.16 0.99 2.96 0.03 -4.92 118.68 119.55 2kmn s LEU 46 Ca 0.00 -0.39 -0.06 0.00 -0.22 0.00 0.00 54.13 53.46 2kmn s LEU 46 Cb 0.00 -1.06 -0.04 0.00 0.50 0.00 0.00 46.19 45.59 2kmn s LEU 46 CO 0.00 0.20 0.05 0.00 -1.32 0.00 0.00 176.35 175.28 2kmn s ALA 47 N -0.16 3.38 0.12 5.97 0.00 -1.26 -1.12 121.76 128.69 2kmn s ALA 47 Ca -0.00 -0.75 -0.12 0.00 0.00 0.00 0.00 51.96 51.09 2kmn s ALA 47 Cb -0.11 -1.83 0.08 0.00 0.00 0.00 0.00 23.12 21.26 2kmn s ALA 47 CO 0.02 0.26 0.86 0.00 0.00 0.00 0.00 175.76 176.89 2kmn n ALA 48 N 3.27 -0.15 -0.23 0.00 0.00 0.17 0.50 120.51 124.07 2kmn n ALA 48 Ca -0.17 0.53 0.16 0.00 0.00 0.00 0.00 53.44 53.96 2kmn n ALA 48 Cb 0.53 -0.20 0.47 0.00 0.00 0.00 0.00 19.45 20.25 2kmn n ALA 48 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2kmn h THR 49 N 0.00 0.75 -0.50 0.00 1.35 -1.75 0.12 112.91 112.88 2kmn h THR 49 Ca 0.16 -0.17 -0.04 0.00 -0.55 0.00 0.00 66.41 65.82 2kmn h THR 49 Cb 0.30 0.22 -0.02 0.00 -1.73 0.00 0.00 68.15 66.92 2kmn h THR 49 CO -0.54 0.09 0.16 1.56 -0.25 0.00 0.00 175.52 176.53 2kmn h GLN 50 N 0.49 0.77 -0.57 4.72 4.20 -0.23 -2.09 115.11 122.39 2kmn h GLN 50 Ca 0.44 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.98 2kmn h GLN 50 Cb 0.96 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.63 2kmn h GLN 50 CO -0.17 0.72 0.00 1.33 -0.67 0.00 0.00 178.83 180.04 2kmn n VAL 51 N -4.50 0.31 -1.92 -0.54 0.24 0.28 -0.53 118.33 111.67 2kmn n VAL 51 Ca 0.01 -0.19 -0.03 0.00 -2.04 0.00 0.00 64.34 62.09 2kmn n VAL 51 Cb 0.19 -0.22 -0.00 0.00 -1.47 0.00 0.00 33.84 32.34 2kmn n VAL 51 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2kmn n ASP 52 N -0.01 -1.90 -4.01 -1.34 2.03 -0.79 -4.39 116.55 106.14 2kmn n ASP 52 Ca 0.04 0.01 -0.31 0.00 0.52 0.00 0.00 54.79 55.05 2kmn n ASP 52 Cb 0.27 -1.10 -0.15 0.00 -0.72 0.00 0.00 41.12 39.41 2kmn n ASP 52 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2kmn s ILE 53 N -2.14 1.85 -1.31 5.18 -5.25 -0.38 -4.98 121.20 114.17 2kmn s ILE 53 Ca 0.00 -1.38 -0.11 0.00 -0.99 0.00 0.00 60.65 58.17 2kmn s ILE 53 Cb 0.00 -2.01 -0.06 0.00 2.95 0.00 0.00 42.46 43.33 2kmn s ILE 53 CO 0.00 -0.02 2.49 0.00 -1.79 0.00 0.00 174.94 175.62 2kmn n HIS 54 N 4.56 2.24 -3.71 1.37 1.44 -1.26 -2.81 115.22 117.05 2kmn n HIS 54 Ca -0.13 -2.62 -0.11 0.00 -2.01 0.00 0.00 57.72 52.84 2kmn n HIS 54 Cb 0.44 -2.19 -0.11 0.00 0.12 0.00 0.00 29.99 28.25 2kmn n HIS 54 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 2kmn s GLN 55 N 2.98 0.42 -0.44 -1.40 -0.21 -1.26 -4.02 119.66 115.72 2kmn s GLN 55 Ca 0.56 0.71 -0.27 0.00 0.02 0.00 0.00 55.36 56.39 2kmn s GLN 55 Cb 0.15 0.06 -0.26 0.00 1.00 0.00 0.00 33.01 33.95 2kmn s GLN 55 CO -0.04 -0.13 1.78 0.54 -2.12 0.00 0.00 175.29 175.32 2kmn n ARG 56 N 3.82 0.73 -4.31 2.91 1.74 -0.78 -4.51 116.66 116.25 2kmn n ARG 56 Ca -0.20 -1.47 -0.34 0.00 -0.77 0.00 0.00 57.85 55.07 2kmn n ARG 56 Cb 0.56 -2.81 -0.14 0.00 -1.02 0.00 0.00 32.46 29.04 2kmn n ARG 56 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2kmn s ILE 57 N 6.86 3.06 0.07 0.55 -1.09 -1.26 0.78 121.20 130.16 2kmn s ILE 57 Ca 0.65 -0.63 0.06 0.00 -2.23 0.00 0.00 60.65 58.50 2kmn s ILE 57 Cb 0.13 -2.33 -0.03 0.00 -1.58 0.00 0.00 42.46 38.65 2kmn s ILE 57 CO 0.23 0.48 -0.16 -0.51 -1.23 0.00 0.00 174.94 173.75 2kmn s ILE 58 N 0.96 1.31 -0.01 2.92 -1.16 0.26 0.42 121.20 125.91 2kmn s ILE 58 Ca -0.02 -1.29 0.04 0.00 -0.51 0.00 0.00 60.65 58.88 2kmn s ILE 58 Cb -0.15 -1.21 -0.01 0.00 0.61 0.00 0.00 42.46 41.70 2kmn s ILE 58 CO -0.01 -0.09 -0.14 0.68 -2.81 0.00 0.00 174.94 172.57 2kmn s VAL 59 N -1.11 1.10 0.17 4.00 -7.23 -0.27 0.49 120.40 117.56 2kmn s VAL 59 Ca 0.02 -0.62 0.09 0.00 -1.81 0.00 0.00 61.98 59.66 2kmn s VAL 59 Cb -0.09 -0.92 -0.04 0.00 0.56 0.00 0.00 36.38 35.88 2kmn s VAL 59 CO 0.02 0.29 -0.13 -0.63 -0.31 0.00 0.00 175.10 174.35 2kmn s ILE 60 N -0.36 3.02 -0.28 -0.62 -1.09 0.20 -0.79 121.20 121.28 2kmn s ILE 60 Ca 0.05 -1.70 0.20 0.00 -2.23 0.00 0.00 60.65 56.98 2kmn s ILE 60 Cb -0.06 -2.48 0.48 0.00 -1.58 0.00 0.00 42.46 38.83 2kmn s ILE 60 CO -0.00 -0.09 1.22 -0.67 -1.23 0.00 0.00 174.94 174.18 2kmn n ASP 61 N 0.17 0.76 -4.42 3.58 2.03 0.45 -1.01 116.55 118.11 2kmn n ASP 61 Ca -0.12 -2.07 -0.45 0.00 0.52 0.00 0.00 54.79 52.68 2kmn n ASP 61 Cb 0.55 -0.17 -0.02 0.00 -0.72 0.00 0.00 41.12 40.76 2kmn n ASP 61 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2kmn s VAL 62 N -2.72 5.10 -0.39 5.18 1.01 -1.10 -4.55 120.40 122.94 2kmn s VAL 62 Ca 0.22 -2.15 -0.22 0.00 0.00 0.00 0.00 61.98 59.83 2kmn s VAL 62 Cb 0.35 -4.72 -0.24 0.00 0.00 0.00 0.00 36.38 31.77 2kmn s VAL 62 CO -0.06 -1.39 1.58 -1.54 0.00 0.00 0.00 175.10 173.69 2kmn n SER 63 N 5.45 0.54 -0.24 3.32 3.41 -1.26 -4.45 113.62 120.39 2kmn n SER 63 Ca 0.24 -2.13 0.32 0.00 -0.26 0.00 0.00 58.87 57.04 2kmn n SER 63 Cb 0.47 -0.90 0.63 0.00 -0.26 0.00 0.00 64.21 64.15 2kmn n SER 63 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2kmn h GLU 64 N 10.13 0.00 0.00 4.33 4.57 -1.92 -3.33 114.58 128.36 2kmn h GLU 64 Ca 0.11 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 2kmn h GLU 64 Cb 0.82 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.41 2kmn h GLU 64 CO 1.37 0.00 0.00 -1.71 -1.18 0.00 0.00 179.01 177.49 2kmn n ASN 65 N -3.63 0.00 0.00 1.04 2.85 -1.26 -5.03 115.26 109.23 2kmn n ASN 65 Ca 0.23 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.70 2kmn n ASN 65 Cb 1.34 0.00 0.00 0.00 1.24 0.00 0.00 39.78 42.36 2kmn n ASN 65 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2kmn n ARG 66 N -2.07 0.00 -3.46 1.20 1.74 -1.25 -5.06 116.66 107.76 2kmn n ARG 66 Ca 0.00 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.09 2kmn n ARG 66 Cb 0.00 -0.90 -0.03 0.00 -1.02 0.00 0.00 32.46 30.51 2kmn n ARG 66 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2kmn s ASP 67 N -3.85 -1.15 0.17 0.55 1.11 -1.26 -4.89 116.67 107.35 2kmn s ASP 67 Ca 0.00 1.26 -0.02 0.00 0.18 0.00 0.00 52.55 53.96 2kmn s ASP 67 Cb 0.00 2.18 -0.05 0.00 1.07 0.00 0.00 42.92 46.13 2kmn s ASP 67 CO 0.00 -0.22 0.38 -1.61 1.18 0.00 0.00 175.17 174.90 2kmn s GLU 68 N 2.85 3.56 -0.38 8.23 0.41 -1.26 -4.80 118.70 127.30 2kmn s GLU 68 Ca 0.03 -0.23 0.02 0.00 -0.41 0.00 0.00 54.97 54.38 2kmn s GLU 68 Cb -0.12 -2.85 0.16 0.00 -1.78 0.00 0.00 34.13 29.53 2kmn s GLU 68 CO -0.19 0.43 0.32 0.50 -0.49 0.00 0.00 175.26 175.83 2kmn s ARG 69 N -3.01 0.71 -0.08 1.61 3.00 -1.26 -4.58 118.95 115.33 2kmn s ARG 69 Ca 0.39 -1.44 -0.01 0.00 -1.00 0.00 0.00 55.73 53.67 2kmn s ARG 69 Cb -0.12 -1.12 -0.03 0.00 0.00 0.00 0.00 34.95 33.68 2kmn s ARG 69 CO 0.27 -1.27 -0.02 -0.51 0.00 0.00 0.00 175.30 173.77 2kmn s LEU 70 N 0.84 3.44 -0.02 -0.88 2.01 -0.18 -4.99 118.68 118.90 2kmn s LEU 70 Ca 0.23 0.08 0.02 0.00 0.01 0.00 0.00 54.13 54.48 2kmn s LEU 70 Cb -0.12 -1.78 0.00 0.00 0.01 0.00 0.00 46.19 44.31 2kmn s LEU 70 CO -0.06 0.37 -0.08 0.54 1.01 0.00 0.00 176.35 178.12 2kmn s VAL 71 N -0.82 0.69 -0.01 -1.59 0.11 -1.26 0.61 120.40 118.13 2kmn s VAL 71 Ca 0.12 -0.31 -0.01 0.00 -2.93 0.00 0.00 61.98 58.86 2kmn s VAL 71 Cb -0.11 -0.63 0.00 0.00 -1.53 0.00 0.00 36.38 34.11 2kmn s VAL 71 CO 0.02 0.22 0.03 -0.76 -3.33 0.00 0.00 175.10 171.28 2kmn s LEU 72 N 0.23 1.90 -0.04 2.54 1.43 0.18 -4.39 118.68 120.53 2kmn s LEU 72 Ca -0.03 0.02 0.06 0.00 -1.03 0.00 0.00 54.13 53.14 2kmn s LEU 72 Cb -0.08 0.11 -0.01 0.00 0.03 0.00 0.00 46.19 46.24 2kmn s LEU 72 CO 0.00 -0.04 -0.23 -0.63 0.23 0.00 0.00 176.35 175.69 2kmn s ILE 73 N -0.11 1.87 -1.54 -0.59 -1.09 0.46 -0.57 121.20 119.63 2kmn s ILE 73 Ca -0.01 -0.98 -0.15 0.00 -2.23 0.00 0.00 60.65 57.28 2kmn s ILE 73 Cb -0.01 -1.58 0.12 0.00 -1.58 0.00 0.00 42.46 39.41 2kmn s ILE 73 CO -0.00 0.52 0.75 0.59 -1.23 0.00 0.00 174.94 175.58 2kmn n ASN 74 N 2.87 -3.81 -4.67 3.58 5.03 0.23 -1.92 115.26 116.57 2kmn n ASN 74 Ca -0.17 -0.77 -0.39 0.00 0.87 0.00 0.00 54.58 54.11 2kmn n ASN 74 Cb 0.52 -3.10 0.03 0.00 -1.02 0.00 0.00 39.78 36.21 2kmn n ASN 74 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 2kmn n PRO 75 N -4.26 1.48 -4.29 3.52 -0.02 -1.25 -4.75 135.00 125.44 2kmn n PRO 75 Ca 0.05 0.54 -0.18 0.00 -2.02 0.00 0.00 63.50 61.89 2kmn n PRO 75 Cb 0.51 -2.32 -0.14 0.00 -0.02 0.00 0.00 33.50 31.54 2kmn n PRO 75 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2kmn s GLU 76 N -2.51 0.71 0.09 -0.52 -1.05 0.21 -4.94 118.70 110.70 2kmn s GLU 76 Ca 0.68 -0.49 -0.27 0.00 -0.15 0.00 0.00 54.97 54.74 2kmn s GLU 76 Cb -0.47 -0.66 -0.06 0.00 -0.44 0.00 0.00 34.13 32.50 2kmn s GLU 76 CO 0.52 0.17 0.84 -1.17 0.95 0.00 0.00 175.26 176.57 2kmn s LEU 77 N -0.67 4.50 -0.06 1.83 0.20 -1.26 -0.26 118.68 122.96 2kmn s LEU 77 Ca 0.01 1.61 0.00 0.00 0.69 0.00 0.00 54.13 56.44 2kmn s LEU 77 Cb -0.06 -3.37 -0.04 0.00 -0.43 0.00 0.00 46.19 42.30 2kmn s LEU 77 CO 0.00 0.03 -0.05 0.18 -0.29 0.00 0.00 176.35 176.22 2kmn n LEU 78 N 2.54 2.84 -3.68 -0.68 7.99 0.64 -4.92 117.00 121.73 2kmn n LEU 78 Ca -0.01 -0.02 -0.15 0.00 -0.01 0.00 0.00 56.01 55.82 2kmn n LEU 78 Cb 0.49 -0.19 -0.08 0.00 -0.11 0.00 0.00 43.42 43.54 2kmn n LEU 78 CO 0.48 0.57 0.15 -0.70 -1.51 0.00 0.00 177.39 176.38 2kmn s GLU 79 N -2.11 0.81 -0.03 3.23 2.12 -0.79 -4.93 118.70 117.00 2kmn s GLU 79 Ca -0.08 -0.09 -0.11 0.00 0.36 0.00 0.00 54.97 55.06 2kmn s GLU 79 Cb 0.02 0.37 0.02 0.00 0.26 0.00 0.00 34.13 34.79 2kmn s GLU 79 CO 0.13 -0.24 0.23 -1.59 -0.54 0.00 0.00 175.26 173.25 2kmn s LYS 80 N -1.44 0.51 -0.08 4.30 -2.85 -1.26 -0.02 119.74 118.90 2kmn s LYS 80 Ca -0.12 -0.13 -0.27 0.00 -1.00 0.00 0.00 55.97 54.45 2kmn s LYS 80 Cb -0.03 0.22 0.06 0.00 -2.06 0.00 0.00 37.83 36.02 2kmn s LYS 80 CO 0.05 -0.12 0.62 0.45 0.10 0.00 0.00 175.35 176.45 2kmn s SER 81 N -0.97 -0.60 0.10 0.03 0.15 0.18 -4.95 113.70 107.64 2kmn s SER 81 Ca -0.11 0.75 0.00 0.00 0.70 0.00 0.00 55.95 57.30 2kmn s SER 81 Cb -0.05 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 64.93 2kmn s SER 81 CO 0.02 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.56 2kmn n GLY 82 N 1.32 -2.73 2.71 9.45 0.00 -1.26 0.11 105.19 114.80 2kmn n GLY 82 Ca -0.18 -1.39 -0.26 0.00 0.00 0.00 0.00 46.02 44.20 2kmn n GLY 82 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kmn s GLU 83 N -3.19 0.47 0.28 1.61 2.12 -1.26 -0.15 118.70 118.58 2kmn s GLU 83 Ca 0.00 -0.15 0.07 0.00 0.36 0.00 0.00 54.97 55.25 2kmn s GLU 83 Cb 0.00 -1.64 -0.03 0.00 0.26 0.00 0.00 34.13 32.72 2kmn s GLU 83 CO 0.00 -0.53 0.25 0.95 -0.54 0.00 0.00 175.26 175.39 2kmn s THR 84 N 1.97 4.19 -0.16 -1.70 -4.23 0.17 -4.84 115.64 111.04 2kmn s THR 84 Ca 0.02 -1.34 -0.05 0.00 -1.18 0.00 0.00 61.69 59.14 2kmn s THR 84 Cb -0.15 -3.37 0.08 0.00 1.34 0.00 0.00 72.50 70.40 2kmn s THR 84 CO -0.07 -0.28 0.28 -0.83 -0.54 0.00 0.00 174.62 173.18 2kmn s GLY 85 N -3.92 -0.14 -0.11 3.99 0.00 -1.26 -1.27 107.32 104.61 2kmn s GLY 85 Ca 0.36 0.84 -0.09 0.00 0.00 0.00 0.00 44.72 45.83 2kmn s GLY 85 CO 0.26 2.12 0.28 -0.42 0.00 0.00 0.00 173.10 175.34 2kmn s ILE 86 N 2.43 -0.00 0.28 0.90 -1.09 -1.20 -4.90 121.20 117.61 2kmn s ILE 86 Ca 0.03 0.01 -0.29 0.00 -2.23 0.00 0.00 60.65 58.17 2kmn s ILE 86 Cb -0.13 -0.40 -0.10 0.00 -1.58 0.00 0.00 42.46 40.25 2kmn s ILE 86 CO -0.10 0.00 1.18 -1.61 -1.23 0.00 0.00 174.94 173.18 2kmn s GLU 87 N 0.24 4.53 0.18 2.79 2.02 -1.26 -2.18 118.70 125.01 2kmn s GLU 87 Ca -0.01 1.94 -0.17 0.00 0.02 0.00 0.00 54.97 56.76 2kmn s GLU 87 Cb -0.03 -3.16 0.03 0.00 0.10 0.00 0.00 34.13 31.07 2kmn s GLU 87 CO -0.00 0.04 0.49 -1.21 0.02 0.00 0.00 175.26 174.59 2kmn s GLU 88 N -1.31 1.30 0.34 1.61 2.02 -0.50 -4.82 118.70 117.32 2kmn s GLU 88 Ca 0.47 -0.83 0.08 0.00 0.02 0.00 0.00 54.97 54.72 2kmn s GLU 88 Cb -0.34 0.50 -0.06 0.00 0.10 0.00 0.00 34.13 34.32 2kmn s GLU 88 CO 0.44 -0.54 -0.07 0.20 0.02 0.00 0.00 175.26 175.31 2kmn s GLY 89 N -2.86 2.15 -0.03 -1.39 0.00 -1.26 -0.17 107.32 103.76 2kmn s GLY 89 Ca 0.08 -2.07 0.05 0.00 0.00 0.00 0.00 44.72 42.78 2kmn s GLY 89 CO -0.05 -1.99 -0.18 0.00 0.00 0.00 0.00 173.10 170.87 2kmn h LEU 91 N 5.27 0.00 0.01 0.00 -0.00 -1.92 0.58 115.31 119.24 2kmn h LEU 91 Ca -0.46 0.00 -0.37 0.00 -0.00 0.00 0.00 57.88 57.05 2kmn h LEU 91 Cb 1.14 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.74 2kmn h LEU 91 CO 0.49 0.00 -2.33 -1.20 -0.00 0.00 0.00 178.44 175.40 2kmn n SER 92 N -2.34 0.96 -4.86 -0.43 7.64 -1.26 -4.82 113.62 108.53 2kmn n SER 92 Ca -0.01 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.56 2kmn n SER 92 Cb 0.51 0.25 -0.05 0.00 -1.01 0.00 0.00 64.21 63.91 2kmn n SER 92 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2kmn s ILE 93 N -2.52 4.71 0.00 0.44 1.01 0.20 -2.56 121.20 122.49 2kmn s ILE 93 Ca -0.20 0.85 0.00 0.00 0.00 0.00 0.00 60.65 61.31 2kmn s ILE 93 Cb 0.07 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.90 2kmn s ILE 93 CO 0.74 -0.29 0.00 -0.81 0.00 0.00 0.00 174.94 174.58 2kmn n PRO 94 N -0.65 2.51 -0.02 2.79 -0.04 -1.26 -4.26 135.00 134.05 2kmn n PRO 94 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 2kmn n PRO 94 Cb 0.53 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.01 2kmn n PRO 94 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kmn n GLU 95 N 0.00 1.11 -2.51 0.54 -0.58 -1.26 -4.49 120.64 113.45 2kmn n GLU 95 Ca 0.00 -0.13 -0.41 0.00 -0.42 0.00 0.00 57.16 56.20 2kmn n GLU 95 Cb 0.00 -1.17 -0.01 0.00 -0.57 0.00 0.00 31.44 29.68 2kmn n GLU 95 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2kmn s GLN 96 N -1.71 3.72 -0.02 3.49 -1.52 -1.26 -4.96 119.66 117.40 2kmn s GLN 96 Ca 0.02 -1.70 -0.23 0.00 -1.95 0.00 0.00 55.36 51.51 2kmn s GLN 96 Cb 0.01 -5.46 -0.05 0.00 -0.22 0.00 0.00 33.01 27.30 2kmn s GLN 96 CO 0.01 -2.45 0.69 1.03 -0.25 0.00 0.00 175.29 174.32 2kmn s ARG 97 N 4.68 4.42 0.10 2.91 0.52 -1.25 -4.65 118.95 125.68 2kmn s ARG 97 Ca 0.54 0.89 0.08 0.00 -0.52 0.00 0.00 55.73 56.72 2kmn s ARG 97 Cb 0.02 -3.40 -0.03 0.00 0.52 0.00 0.00 34.95 32.06 2kmn s ARG 97 CO 0.05 0.20 -0.19 0.00 0.02 0.00 0.00 175.30 175.37 2kmn s ALA 98 N 0.32 1.70 -0.33 2.13 0.00 0.76 -4.57 121.76 121.77 2kmn s ALA 98 Ca 0.36 -1.22 -0.29 0.00 0.00 0.00 0.00 51.96 50.81 2kmn s ALA 98 Cb -0.19 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.73 2kmn s ALA 98 CO 0.19 0.31 1.31 -1.17 0.00 0.00 0.00 175.76 176.40 2kmn s LEU 99 N -1.95 3.82 -0.15 0.00 0.20 -1.26 -1.42 118.68 117.92 2kmn s LEU 99 Ca 0.06 1.10 -0.06 0.00 0.69 0.00 0.00 54.13 55.91 2kmn s LEU 99 Cb -0.10 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.08 2kmn s LEU 99 CO 0.04 -1.15 0.07 -0.69 -0.29 0.00 0.00 176.35 174.33 2kmn s VAL 100 N 4.55 4.84 -0.14 1.68 1.01 -0.93 -4.77 120.40 126.64 2kmn s VAL 100 Ca 0.56 -0.03 -0.22 0.00 0.00 0.00 0.00 61.98 62.29 2kmn s VAL 100 Cb -0.15 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 2kmn s VAL 100 CO 0.25 0.52 0.68 -2.16 0.00 0.00 0.00 175.10 174.39 2kmn s PRO 101 N -0.13 4.32 0.17 2.72 0.04 -1.26 -3.27 135.00 137.59 2kmn s PRO 101 Ca 0.07 0.77 -0.06 0.00 0.04 0.00 0.00 61.00 61.82 2kmn s PRO 101 Cb -0.12 -3.52 -0.02 0.00 0.04 0.00 0.00 34.50 30.88 2kmn s PRO 101 CO 0.01 -0.11 0.22 -0.98 0.04 0.00 0.00 177.00 176.18 2kmn s ARG 102 N 1.45 1.15 0.68 4.56 3.03 -0.40 -4.98 118.95 124.45 2kmn s ARG 102 Ca 0.33 -1.34 -0.15 0.00 2.03 0.00 0.00 55.73 56.61 2kmn s ARG 102 Cb -0.17 0.33 0.01 0.00 -1.03 0.00 0.00 34.95 34.10 2kmn s ARG 102 CO 0.13 -0.40 1.12 0.00 -1.13 0.00 0.00 175.30 175.03 2kmn s ALA 103 N -4.03 2.38 0.08 7.88 0.00 -1.25 0.46 121.76 127.28 2kmn s ALA 103 Ca 0.24 0.58 -0.15 0.00 0.00 0.00 0.00 51.96 52.63 2kmn s ALA 103 Cb 0.05 -3.34 -0.15 0.00 0.00 0.00 0.00 23.12 19.68 2kmn s ALA 103 CO 0.04 -1.43 1.30 1.49 0.00 0.00 0.00 175.76 177.16 2kmn h GLU 104 N -0.14 0.69 -3.68 0.00 4.81 0.43 -3.41 114.58 113.28 2kmn h GLU 104 Ca -0.47 -0.51 -0.22 0.00 -0.13 0.00 0.00 59.36 58.03 2kmn h GLU 104 Cb 1.25 0.09 -0.28 0.00 0.63 0.00 0.00 28.75 30.45 2kmn h GLU 104 CO 0.53 1.13 -0.69 0.15 -0.73 0.00 0.00 179.01 179.40 2kmn s LYS 105 N -3.85 0.03 -0.06 1.92 1.02 0.71 -1.12 119.74 118.39 2kmn s LYS 105 Ca -0.12 0.02 -0.07 0.00 0.02 0.00 0.00 55.97 55.82 2kmn s LYS 105 Cb 0.08 0.01 0.02 0.00 -0.52 0.00 0.00 37.83 37.42 2kmn s LYS 105 CO 0.86 -0.00 0.19 0.14 -0.92 0.00 0.00 175.35 175.62 2kmn s VAL 106 N -0.01 0.02 -0.19 3.17 -7.23 0.23 0.52 120.40 116.91 2kmn s VAL 106 Ca -0.00 -0.15 -0.05 0.00 -1.81 0.00 0.00 61.98 59.97 2kmn s VAL 106 Cb -0.00 -0.33 -0.03 0.00 0.56 0.00 0.00 36.38 36.58 2kmn s VAL 106 CO 0.00 -0.08 0.01 -0.54 -0.31 0.00 0.00 175.10 174.18 2kmn s LYS 107 N -0.22 3.70 0.06 4.82 -0.14 0.97 0.45 119.74 129.38 2kmn s LYS 107 Ca -0.03 -0.48 0.03 0.00 -1.36 0.00 0.00 55.97 54.13 2kmn s LYS 107 Cb -0.03 -3.10 -0.03 0.00 -1.68 0.00 0.00 37.83 33.00 2kmn s LYS 107 CO 0.01 0.09 -0.10 0.96 -0.76 0.00 0.00 175.35 175.55 2kmn s ILE 108 N 0.82 0.73 -0.11 2.17 -5.25 0.78 -0.26 121.20 120.08 2kmn s ILE 108 Ca 0.01 -1.23 -0.05 0.00 -0.99 0.00 0.00 60.65 58.39 2kmn s ILE 108 Cb -0.14 -0.85 -0.04 0.00 2.95 0.00 0.00 42.46 44.38 2kmn s ILE 108 CO 0.02 -0.38 0.09 -0.13 -1.79 0.00 0.00 174.94 172.75 2kmn s ARG 109 N -1.85 3.29 0.26 0.37 0.52 0.64 -0.11 118.95 122.07 2kmn s ARG 109 Ca -0.05 -0.24 -0.21 0.00 -0.52 0.00 0.00 55.73 54.70 2kmn s ARG 109 Cb -0.09 -3.05 0.03 0.00 0.52 0.00 0.00 34.95 32.37 2kmn s ARG 109 CO 0.01 0.74 0.71 0.00 0.02 0.00 0.00 175.30 176.77 2kmn s ALA 110 N -0.94 -1.29 0.10 2.13 0.00 0.72 0.67 121.76 123.15 2kmn s ALA 110 Ca 0.14 -0.18 0.09 0.00 0.00 0.00 0.00 51.96 52.02 2kmn s ALA 110 Cb -0.12 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 2kmn s ALA 110 CO 0.03 -1.00 -0.24 -0.48 0.00 0.00 0.00 175.76 174.08 2kmn s LEU 111 N -2.89 2.28 0.76 0.00 0.05 -0.81 0.20 118.68 118.27 2kmn s LEU 111 Ca 0.10 -0.69 -0.10 0.00 0.05 0.00 0.00 54.13 53.49 2kmn s LEU 111 Cb -0.05 -1.06 0.06 0.00 -2.05 0.00 0.00 46.19 43.09 2kmn s LEU 111 CO 0.04 0.13 1.12 -0.62 -0.55 0.00 0.00 176.35 176.47 2kmn s ASP 112 N -1.84 4.74 0.62 1.48 -1.08 -0.91 0.17 116.67 119.86 2kmn s ASP 112 Ca 0.10 0.74 0.27 0.00 -0.52 0.00 0.00 52.55 53.14 2kmn s ASP 112 Cb -0.10 -1.33 1.39 0.00 -1.46 0.00 0.00 42.92 41.43 2kmn s ASP 112 CO 0.04 -1.72 1.80 -0.09 0.52 0.00 0.00 175.17 175.72 2kmn h ARG 113 N -0.85 0.00 0.00 4.34 2.43 -1.92 0.55 114.38 118.93 2kmn h ARG 113 Ca -0.45 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.69 2kmn h ARG 113 Cb 1.31 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.86 2kmn h ARG 113 CO 0.64 0.00 -0.14 -0.44 -1.51 0.00 0.00 179.97 178.52 2kmn h ASP 114 N 0.00 0.00 0.00 -3.80 3.32 -1.96 -3.45 116.42 110.52 2kmn h ASP 114 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2kmn h ASP 114 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2kmn h ASP 114 CO -0.00 0.14 0.00 0.61 -1.72 0.00 0.00 179.24 178.27 2kmn n GLY 115 N 1.11 1.13 2.86 2.75 0.00 0.19 -5.05 105.19 108.18 2kmn n GLY 115 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 2kmn n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kmn s LYS 116 N -0.12 1.12 -0.27 1.61 -0.14 -1.25 -4.89 119.74 115.80 2kmn s LYS 116 Ca 0.00 -1.29 -0.29 0.00 -1.36 0.00 0.00 55.97 53.03 2kmn s LYS 116 Cb 0.00 -2.49 -0.01 0.00 -1.68 0.00 0.00 37.83 33.66 2kmn s LYS 116 CO 0.00 -0.89 1.36 -2.14 -0.76 0.00 0.00 175.35 172.92 2kmn s PRO 117 N 1.36 3.92 0.33 -1.68 0.02 -1.26 -2.15 135.00 135.54 2kmn s PRO 117 Ca 0.07 1.36 0.05 0.00 0.02 0.00 0.00 61.00 62.50 2kmn s PRO 117 Cb -0.18 -3.90 -0.07 0.00 0.02 0.00 0.00 34.50 30.37 2kmn s PRO 117 CO -0.16 -1.12 0.02 -0.59 -0.33 0.00 0.00 177.00 174.82 2kmn s PHE 118 N 4.45 2.08 -0.11 6.54 -0.12 0.53 -4.87 117.98 126.49 2kmn s PHE 118 Ca 0.59 -0.83 -0.02 0.00 -0.05 0.00 0.00 56.93 56.62 2kmn s PHE 118 Cb -0.19 -1.34 -0.03 0.00 -0.63 0.00 0.00 43.02 40.83 2kmn s PHE 118 CO 0.24 0.18 -0.01 -1.21 -0.05 0.00 0.00 175.22 174.36 2kmn s GLU 119 N -3.81 3.18 -0.03 1.99 2.02 -1.26 -0.20 118.70 120.60 2kmn s GLU 119 Ca 0.34 -0.44 0.01 0.00 0.02 0.00 0.00 54.97 54.91 2kmn s GLU 119 Cb 0.08 -2.83 0.01 0.00 0.10 0.00 0.00 34.13 31.49 2kmn s GLU 119 CO 0.15 0.57 -0.04 -0.48 0.02 0.00 0.00 175.26 175.48 2kmn s LEU 120 N -0.52 1.54 -0.23 1.80 0.05 0.84 -4.97 118.68 117.19 2kmn s LEU 120 Ca 0.09 -0.10 -0.15 0.00 0.05 0.00 0.00 54.13 54.02 2kmn s LEU 120 Cb -0.12 -0.34 -0.04 0.00 -2.05 0.00 0.00 46.19 43.64 2kmn s LEU 120 CO 0.02 -0.02 0.36 -1.83 -0.55 0.00 0.00 176.35 174.33 2kmn s GLU 121 N 0.56 4.11 -0.08 1.48 1.03 -1.26 -0.15 118.70 124.39 2kmn s GLU 121 Ca -0.07 0.09 0.03 0.00 0.03 0.00 0.00 54.97 55.06 2kmn s GLU 121 Cb -0.10 -3.57 -0.02 0.00 -0.80 0.00 0.00 34.13 29.64 2kmn s GLU 121 CO -0.00 -0.09 -0.18 0.00 -1.33 0.00 0.00 175.26 173.65 2kmn s ALA 122 N 1.50 2.45 0.25 -0.84 0.00 0.17 -4.95 121.76 120.34 2kmn s ALA 122 Ca 0.16 -0.98 0.07 0.00 0.00 0.00 0.00 51.96 51.21 2kmn s ALA 122 Cb -0.15 -0.92 -0.05 0.00 0.00 0.00 0.00 23.12 21.99 2kmn s ALA 122 CO 0.08 0.41 -0.08 -0.51 0.00 0.00 0.00 175.76 175.66 2kmn s ASP 123 N -0.18 2.62 0.71 0.00 1.01 -1.26 0.78 116.67 120.35 2kmn s ASP 123 Ca -0.01 -1.14 0.00 0.00 0.71 0.00 0.00 52.55 52.11 2kmn s ASP 123 Cb -0.13 -0.14 0.00 0.00 1.01 0.00 0.00 42.92 43.65 2kmn s ASP 123 CO 0.03 -0.30 0.00 0.61 0.21 0.00 0.00 175.17 175.73 2kmn n GLY 124 N -0.50 2.46 0.38 0.21 0.00 -0.28 -1.66 105.19 105.80 2kmn n GLY 124 Ca -0.06 -0.31 0.18 0.00 0.00 0.00 0.00 46.02 45.83 2kmn n GLY 124 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2kmn h LEU 125 N 0.00 0.21 0.09 0.99 3.38 -1.98 0.32 115.31 118.33 2kmn h LEU 125 Ca 0.00 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2kmn h LEU 125 Cb 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2kmn h LEU 125 CO 0.00 0.11 -0.04 0.25 0.09 0.00 0.00 178.44 178.85 2kmn h LEU 126 N 0.23 -0.10 -0.83 1.67 7.12 -1.69 -2.35 115.31 119.36 2kmn h LEU 126 Ca 0.32 -0.46 0.03 0.00 0.13 0.00 0.00 57.88 57.91 2kmn h LEU 126 Cb 0.94 0.03 -0.05 0.00 -0.53 0.00 0.00 40.66 41.05 2kmn h LEU 126 CO -0.07 0.44 0.53 0.00 -0.13 0.00 0.00 178.44 179.22 2kmn h ALA 127 N 0.12 1.09 0.31 1.25 0.00 -0.43 -1.19 119.26 120.41 2kmn h ALA 127 Ca -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2kmn h ALA 127 Cb 0.55 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2kmn h ALA 127 CO 0.02 0.35 -0.15 0.82 0.00 0.00 0.00 179.25 180.29 2kmn h ILE 128 N 1.03 0.67 -0.09 0.00 1.08 -0.44 -2.23 117.51 117.53 2kmn h ILE 128 Ca 0.33 -0.63 -0.00 0.00 -0.39 0.00 0.00 64.86 64.17 2kmn h ILE 128 Cb 0.02 0.98 -0.00 0.00 -3.07 0.00 0.00 36.82 34.74 2kmn h ILE 128 CO -0.12 0.12 0.06 0.00 -0.69 0.00 0.00 178.15 177.51 2kmn h ILE 130 N 0.09 1.05 -0.53 0.00 2.10 -1.31 -0.79 117.51 118.11 2kmn h ILE 130 Ca 0.03 -0.16 -0.08 0.00 1.08 0.00 0.00 64.86 65.73 2kmn h ILE 130 Cb 0.02 0.55 -0.02 0.00 -1.09 0.00 0.00 36.82 36.28 2kmn h ILE 130 CO -0.01 0.08 -0.01 0.06 -1.08 0.00 0.00 178.15 177.20 2kmn h GLN 131 N 0.46 0.91 -0.39 2.19 3.07 -1.29 -2.37 115.11 117.69 2kmn h GLN 131 Ca 0.15 -0.27 0.01 0.00 0.09 0.00 0.00 58.65 58.63 2kmn h GLN 131 Cb -0.00 -0.09 -0.02 0.00 0.08 0.00 0.00 27.48 27.44 2kmn h GLN 131 CO -0.06 0.91 0.23 1.25 0.09 0.00 0.00 178.83 181.25 2kmn h HIS 132 N 0.84 0.44 -0.80 0.06 2.76 -0.39 -1.60 115.15 116.46 2kmn h HIS 132 Ca 0.16 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.33 2kmn h HIS 132 Cb 0.51 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.29 2kmn h HIS 132 CO 0.03 0.26 0.48 0.93 -1.30 0.00 0.00 177.93 178.33 2kmn h GLU 133 N 0.48 1.09 -0.53 5.26 4.39 -0.95 0.33 114.58 124.64 2kmn h GLU 133 Ca 0.15 -0.10 0.03 0.00 0.34 0.00 0.00 59.36 59.79 2kmn h GLU 133 Cb -0.01 -0.23 -0.04 0.00 -0.10 0.00 0.00 28.75 28.37 2kmn h GLU 133 CO -0.06 0.76 0.31 0.52 -1.16 0.00 0.00 179.01 179.38 2kmn h MET 134 N 1.11 0.58 -0.10 2.33 2.86 -0.86 0.17 114.93 121.02 2kmn h MET 134 Ca 0.29 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.87 2kmn h MET 134 Cb -0.04 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.48 2kmn h MET 134 CO -0.05 0.39 -0.04 -0.44 1.06 0.00 0.00 176.91 177.82 2kmn h ASP 135 N 0.60 0.21 0.15 1.22 5.19 -0.39 -1.82 116.42 121.58 2kmn h ASP 135 Ca 0.22 -0.40 0.00 0.00 -0.62 0.00 0.00 57.03 56.23 2kmn h ASP 135 Cb 0.06 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 2kmn h ASP 135 CO -0.12 0.57 -0.16 -0.74 -3.12 0.00 0.00 179.24 175.68 2kmn h HIS 136 N -0.15 -0.41 0.00 4.55 2.76 0.62 0.33 115.15 122.85 2kmn h HIS 136 Ca 0.02 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.15 2kmn h HIS 136 Cb 0.48 0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.60 2kmn h HIS 136 CO 0.06 -0.24 -0.23 1.37 -1.30 0.00 0.00 177.93 177.60 2kmn h LEU 137 N -0.34 0.00 -1.47 0.26 8.10 -0.73 0.01 115.31 121.14 2kmn h LEU 137 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.99 2kmn h LEU 137 Cb 0.32 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.54 2kmn h LEU 137 CO -0.04 0.23 0.01 0.55 -4.11 0.00 0.00 178.44 175.08 2kmn n VAL 138 N -4.05 0.48 -0.62 0.15 3.14 -0.69 -0.07 118.33 116.68 2kmn n VAL 138 Ca -0.02 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.27 2kmn n VAL 138 Cb 0.30 -0.65 0.00 0.00 -1.06 0.00 0.00 33.84 32.43 2kmn n VAL 138 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2kmn n GLY 139 N 0.16 0.44 3.81 7.55 0.00 0.15 -4.20 105.19 113.10 2kmn n GLY 139 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 2kmn n GLY 139 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kmn s LYS 140 N -0.57 4.16 0.02 1.61 -2.85 0.11 -4.10 119.74 118.13 2kmn s LYS 140 Ca 0.00 0.65 0.00 0.00 -1.00 0.00 0.00 55.97 55.63 2kmn s LYS 140 Cb 0.00 -3.26 -0.02 0.00 -2.06 0.00 0.00 37.83 32.49 2kmn s LYS 140 CO 0.00 0.59 -0.04 -0.51 0.10 0.00 0.00 175.35 175.49 2kmn s LEU 141 N -0.90 2.24 0.29 2.77 1.02 -1.26 -1.61 118.68 121.23 2kmn s LEU 141 Ca 0.28 -0.50 0.02 0.00 0.02 0.00 0.00 54.13 53.96 2kmn s LEU 141 Cb -0.19 0.04 0.59 0.00 0.02 0.00 0.00 46.19 46.66 2kmn s LEU 141 CO 0.17 -0.27 1.85 2.19 0.02 0.00 0.00 176.35 180.31 2kmn h PHE 142 N 4.66 1.09 -0.04 0.29 -0.00 -1.96 -0.05 116.94 120.93 2kmn h PHE 142 Ca -0.33 0.03 0.01 0.00 -0.00 0.00 0.00 57.97 57.69 2kmn h PHE 142 Cb 1.21 -0.35 -0.00 0.00 -0.00 0.00 0.00 35.95 36.81 2kmn h PHE 142 CO 0.65 0.44 0.04 1.98 -0.00 0.00 0.00 178.31 181.41 2kmn h MET 143 N 0.96 0.00 -0.04 6.09 4.05 -1.96 -0.08 114.93 123.94 2kmn h MET 143 Ca 0.48 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.92 2kmn h MET 143 Cb 0.51 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.30 2kmn h MET 143 CO -0.25 0.00 0.06 0.22 0.23 0.00 0.00 176.91 177.17 2kmn h ASP 144 N 0.00 0.00 -0.05 1.39 1.82 -1.41 -1.95 116.42 116.23 2kmn h ASP 144 Ca 0.02 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 2kmn h ASP 144 Cb 0.09 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.10 2kmn h ASP 144 CO -0.00 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 177.63 2kmn n TYR 145 N -3.72 0.06 -3.26 0.28 9.36 -0.11 -5.03 117.16 114.74 2kmn n TYR 145 Ca -0.02 -0.34 -0.38 0.00 3.32 0.00 0.00 57.90 60.49 2kmn n TYR 145 Cb 0.15 -0.03 -0.06 0.00 -0.63 0.00 0.00 39.34 38.77 2kmn n TYR 145 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 2kmn s LEU 146 N -0.73 4.46 0.00 2.98 1.02 -0.73 -5.12 118.68 120.56 2kmn s LEU 146 Ca 0.04 1.26 0.16 0.00 0.02 0.00 0.00 54.13 55.61 2kmn s LEU 146 Cb 0.02 -3.09 0.98 0.00 0.02 0.00 0.00 46.19 44.12 2kmn s LEU 146 CO 0.03 0.20 1.39 -0.24 0.02 0.00 0.00 176.35 177.75