#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 4.91 0.35 -3.33 1.01 -1.26 -4.06 120.40 118.02 2kmn s VAL 2 Ca 0.00 1.67 -0.03 0.00 0.00 0.00 0.00 61.98 63.63 2kmn s VAL 2 Cb 0.00 -4.15 0.07 0.00 0.00 0.00 0.00 36.38 32.30 2kmn s VAL 2 CO 0.00 0.10 0.48 0.00 0.00 0.00 0.00 175.10 175.68 2kmn n LEU 3 N 4.67 0.00 -4.60 3.92 -0.00 -1.26 -4.94 117.00 114.79 2kmn n LEU 3 Ca 0.04 -0.80 -0.43 0.00 -0.00 0.00 0.00 56.01 54.82 2kmn n LEU 3 Cb 0.50 -0.33 -0.02 0.00 -0.00 0.00 0.00 43.42 43.56 2kmn n LEU 3 CO 0.49 -0.78 1.00 -1.58 -0.00 0.00 0.00 177.39 176.52 2kmn s GLN 4 N -3.80 3.69 -0.07 1.47 0.74 -1.26 -5.00 119.66 115.44 2kmn s GLN 4 Ca 0.30 0.51 -0.20 0.00 0.05 0.00 0.00 55.36 56.01 2kmn s GLN 4 Cb -0.01 -3.92 -0.04 0.00 1.10 0.00 0.00 33.01 30.14 2kmn s GLN 4 CO 0.20 -1.39 0.57 0.08 -0.55 0.00 0.00 175.29 174.21 2kmn s VAL 5 N 4.42 5.06 0.22 1.34 1.01 -1.26 -3.67 120.40 127.52 2kmn s VAL 5 Ca 0.47 1.18 -0.23 0.00 0.00 0.00 0.00 61.98 63.39 2kmn s VAL 5 Cb -0.07 -3.91 -0.08 0.00 0.00 0.00 0.00 36.38 32.31 2kmn s VAL 5 CO 0.31 0.34 0.78 -0.76 0.00 0.00 0.00 175.10 175.77 2kmn s LEU 6 N 0.40 4.44 0.06 3.92 1.43 0.13 -4.92 118.68 124.15 2kmn s LEU 6 Ca 0.31 1.58 0.09 0.00 -1.03 0.00 0.00 54.13 55.08 2kmn s LEU 6 Cb -0.17 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 2kmn s LEU 6 CO 0.15 0.09 -0.25 -1.00 0.23 0.00 0.00 176.35 175.57 2kmn s HIS 7 N -1.39 2.37 0.50 0.29 3.76 -1.26 -4.04 115.29 115.52 2kmn s HIS 7 Ca 0.41 -0.37 -0.22 0.00 -0.15 0.00 0.00 55.06 54.73 2kmn s HIS 7 Cb -0.20 -1.38 -0.08 0.00 1.11 0.00 0.00 32.58 32.03 2kmn s HIS 7 CO 0.24 0.19 1.02 -0.89 -0.85 0.00 0.00 174.74 174.44 2kmn n ILE 8 N 1.57 2.93 -1.56 0.60 2.08 0.17 -1.07 119.36 124.09 2kmn n ILE 8 Ca -0.17 -0.50 -0.29 0.00 0.56 0.00 0.00 62.75 62.35 2kmn n ILE 8 Cb 0.52 -1.21 -0.04 0.00 -0.75 0.00 0.00 39.64 38.16 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 -0.32 2.49 -1.65 0.38 -0.04 -1.26 -4.92 135.00 129.67 2kmn n PRO 9 Ca 0.11 -2.52 -0.47 0.00 -0.04 0.00 0.00 63.50 60.58 2kmn n PRO 9 Cb 0.43 -2.17 -0.04 0.00 -0.04 0.00 0.00 33.50 31.68 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 0.71 2.65 -0.31 3.54 -0.08 -0.24 -4.87 116.55 117.96 2kmn n ASP 10 Ca 0.50 1.11 -0.02 0.00 -1.51 0.00 0.00 54.79 54.86 2kmn n ASP 10 Cb 0.51 -1.37 0.10 0.00 2.34 0.00 0.00 41.12 42.69 2kmn n ASP 10 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 2kmn h GLU 11 N 5.10 1.06 0.00 -0.67 4.11 -1.97 -2.27 114.58 119.93 2kmn h GLU 11 Ca -0.45 -0.06 -0.00 0.00 0.07 0.00 0.00 59.36 58.91 2kmn h GLU 11 Cb 1.28 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 2kmn h GLU 11 CO 0.82 0.70 -0.00 0.00 0.07 0.00 0.00 179.01 180.60 2kmn h ARG 12 N 1.09 0.00 0.00 1.06 3.08 -1.90 0.54 114.38 118.26 2kmn h ARG 12 Ca 0.33 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.19 2kmn h ARG 12 Cb -0.04 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 2kmn h ARG 12 CO -0.10 0.00 -0.86 -0.07 -1.07 0.00 0.00 179.97 177.87 2kmn h LEU 13 N 0.00 0.16 -1.20 3.04 3.38 -1.58 -2.35 115.31 116.75 2kmn h LEU 13 Ca -0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2kmn h LEU 13 Cb 0.01 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.71 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 -3.62 1.81 -3.00 1.13 5.12 -0.03 -3.62 116.66 114.45 2kmn n ARG 14 Ca -0.02 -1.19 -0.32 0.00 -1.93 0.00 0.00 57.85 54.38 2kmn n ARG 14 Cb 0.80 -1.45 -0.06 0.00 -1.16 0.00 0.00 32.46 30.59 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 -1.90 4.04 0.11 5.56 2.20 0.17 -4.18 119.74 125.74 2kmn s LYS 15 Ca 0.35 0.79 -0.27 0.00 -0.36 0.00 0.00 55.97 56.48 2kmn s LYS 15 Cb 0.20 -2.34 -0.06 0.00 -1.51 0.00 0.00 37.83 34.11 2kmn s LYS 15 CO 0.31 0.07 0.84 0.08 -0.36 0.00 0.00 175.35 176.28 2kmn s VAL 16 N -2.10 4.53 0.05 4.02 1.01 -1.26 -1.05 120.40 125.61 2kmn s VAL 16 Ca 0.56 1.81 -0.18 0.00 0.00 0.00 0.00 61.98 64.17 2kmn s VAL 16 Cb -0.10 -4.20 -0.06 0.00 0.00 0.00 0.00 36.38 32.02 2kmn s VAL 16 CO 0.18 0.40 0.51 0.00 0.00 0.00 0.00 175.10 176.19 2kmn s ALA 17 N -0.37 3.63 -0.18 5.51 0.00 0.79 -4.68 121.76 126.46 2kmn s ALA 17 Ca 0.40 -0.05 -0.07 0.00 0.00 0.00 0.00 51.96 52.24 2kmn s ALA 17 Cb -0.22 -2.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.31 2kmn s ALA 17 CO 0.26 0.43 0.04 0.21 0.00 0.00 0.00 175.76 176.71 2kmn s LYS 18 N -1.09 3.90 -0.33 0.00 2.20 -1.26 -4.26 119.74 118.91 2kmn s LYS 18 Ca 0.27 -0.38 -0.29 0.00 -0.36 0.00 0.00 55.97 55.21 2kmn s LYS 18 Cb -0.18 -3.17 0.01 0.00 -1.51 0.00 0.00 37.83 32.98 2kmn s LYS 18 CO 0.17 0.24 1.22 -1.25 -0.36 0.00 0.00 175.35 175.37 2kmn s PRO 19 N 0.45 3.92 0.42 4.03 0.04 -1.26 -1.52 135.00 141.08 2kmn s PRO 19 Ca 0.02 1.11 -0.24 0.00 0.04 0.00 0.00 61.00 61.92 2kmn s PRO 19 Cb -0.13 -3.85 -0.08 0.00 0.04 0.00 0.00 34.50 30.48 2kmn s PRO 19 CO 0.01 -1.10 1.17 0.08 0.04 0.00 0.00 177.00 177.20 2kmn s VAL 20 N 4.21 3.12 0.50 -0.36 1.01 -1.26 -4.92 120.40 122.70 2kmn s VAL 20 Ca 0.52 0.91 0.27 0.00 0.00 0.00 0.00 61.98 63.68 2kmn s VAL 20 Cb -0.14 -3.49 0.31 0.00 0.00 0.00 0.00 36.38 33.06 2kmn s VAL 20 CO 0.22 0.05 2.15 -0.33 0.00 0.00 0.00 175.10 177.19 2kmn h GLU 21 N 2.44 0.00 -2.06 2.72 5.08 -2.03 -3.44 114.58 117.28 2kmn h GLU 21 Ca -0.49 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.82 2kmn h GLU 21 Cb 1.24 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.28 2kmn h GLU 21 CO 0.62 0.07 0.12 -2.00 -1.00 0.00 0.00 179.01 176.82 2kmn s GLU 22 N -4.45 0.90 -0.54 2.33 2.12 -1.26 -5.12 118.70 112.67 2kmn s GLU 22 Ca -0.04 0.68 -0.28 0.00 0.36 0.00 0.00 54.97 55.68 2kmn s GLU 22 Cb 0.14 0.43 0.03 0.00 0.26 0.00 0.00 34.13 34.99 2kmn s GLU 22 CO 0.58 -0.18 1.22 0.08 -0.54 0.00 0.00 175.26 176.42 2kmn s VAL 23 N -0.24 4.03 0.34 3.70 1.01 -1.26 -5.01 120.40 122.96 2kmn s VAL 23 Ca -0.04 0.96 -0.10 0.00 0.00 0.00 0.00 61.98 62.79 2kmn s VAL 23 Cb -0.03 -4.63 -0.07 0.00 0.00 0.00 0.00 36.38 31.65 2kmn s VAL 23 CO 0.04 -1.21 0.69 0.20 0.00 0.00 0.00 175.10 174.83 2kmn s ASN 24 N 3.07 6.58 0.57 3.32 0.01 -1.26 -4.88 114.94 122.35 2kmn s ASN 24 Ca 0.46 1.06 0.28 0.00 -0.71 0.00 0.00 52.86 53.95 2kmn s ASN 24 Cb -0.08 -2.29 1.51 0.00 0.41 0.00 0.00 41.25 40.81 2kmn s ASN 24 CO 0.27 -0.27 1.99 0.00 -1.51 0.00 0.00 177.10 177.58 2kmn h ALA 25 N 1.73 2.15 -0.21 0.60 0.00 -1.99 0.89 119.26 122.44 2kmn h ALA 25 Ca -0.47 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.22 2kmn h ALA 25 Cb 1.18 0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.01 2kmn h ALA 25 CO 0.65 -0.56 -0.65 0.93 0.00 0.00 0.00 179.25 179.62 2kmn h GLU 26 N 0.00 0.81 -0.20 0.00 4.39 -1.99 -2.05 114.58 115.54 2kmn h GLU 26 Ca 0.18 -0.59 -0.01 0.00 0.34 0.00 0.00 59.36 59.28 2kmn h GLU 26 Cb 0.91 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.65 2kmn h GLU 26 CO -0.00 1.21 0.09 0.82 -1.16 0.00 0.00 179.01 179.96 2kmn h ILE 27 N 0.56 1.15 -1.00 3.13 2.04 0.27 -2.18 117.51 121.49 2kmn h ILE 27 Ca -0.02 -0.45 0.05 0.00 1.00 0.00 0.00 64.86 65.44 2kmn h ILE 27 Cb 1.27 1.09 -0.06 0.00 -0.74 0.00 0.00 36.82 38.38 2kmn h ILE 27 CO 0.14 0.15 0.65 1.56 0.00 0.00 0.00 178.15 180.65 2kmn h GLN 28 N 0.18 1.17 -0.97 2.37 4.20 -0.57 -0.41 115.11 121.08 2kmn h GLN 28 Ca 0.07 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.72 2kmn h GLN 28 Cb 0.15 -0.26 -0.05 0.00 0.30 0.00 0.00 27.48 27.62 2kmn h GLN 28 CO -0.01 0.78 0.64 0.00 -0.67 0.00 0.00 178.83 179.57 2kmn h ARG 29 N 1.21 1.26 -0.09 1.46 3.08 -1.04 0.82 114.38 121.07 2kmn h ARG 29 Ca 0.42 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 60.40 2kmn h ARG 29 Cb 0.10 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 2kmn h ARG 29 CO -0.15 0.83 -0.00 0.82 -1.07 0.00 0.00 179.97 180.40 2kmn h ILE 30 N 1.30 0.94 -0.42 2.04 2.04 -0.46 -2.21 117.51 120.73 2kmn h ILE 30 Ca 0.37 -0.01 -0.09 0.00 1.00 0.00 0.00 64.86 66.13 2kmn h ILE 30 Cb -0.11 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2kmn h ILE 30 CO -0.09 0.01 -0.08 0.58 0.00 0.00 0.00 178.15 178.56 2kmn h VAL 31 N 0.03 1.27 -0.78 1.67 2.07 -0.85 -0.98 116.25 118.68 2kmn h VAL 31 Ca 0.04 -1.18 0.10 0.00 0.82 0.00 0.00 66.70 66.49 2kmn h VAL 31 Cb 0.05 1.17 -0.08 0.00 -1.52 0.00 0.00 31.29 30.91 2kmn h VAL 31 CO -0.07 0.40 0.42 0.44 0.02 0.00 0.00 177.57 178.77 2kmn h ASP 32 N 0.63 0.56 0.67 0.57 5.19 -0.71 0.98 116.42 124.31 2kmn h ASP 32 Ca 0.11 0.06 -0.17 0.00 -0.62 0.00 0.00 57.03 56.41 2kmn h ASP 32 Cb 0.61 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.06 2kmn h ASP 32 CO 0.04 0.30 -0.77 0.44 -3.12 0.00 0.00 179.24 176.13 2kmn h ASP 33 N 0.68 0.09 -0.23 6.45 3.32 -1.33 -2.62 116.42 122.79 2kmn h ASP 33 Ca 0.39 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.38 2kmn h ASP 33 Cb 0.42 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 2kmn h ASP 33 CO -0.28 0.82 0.15 0.24 -1.72 0.00 0.00 179.24 178.45 2kmn h MET 34 N 0.04 0.30 -0.28 3.56 2.86 0.58 0.68 114.93 122.66 2kmn h MET 34 Ca -0.02 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.51 2kmn h MET 34 Cb 1.35 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.94 2kmn h MET 34 CO 0.11 0.20 -0.19 0.27 1.06 0.00 0.00 176.91 178.35 2kmn h PHE 35 N 0.30 0.74 -0.80 -0.22 -5.15 -1.38 0.24 116.94 110.67 2kmn h PHE 35 Ca 0.08 -0.20 0.15 0.00 -0.20 0.00 0.00 57.97 57.80 2kmn h PHE 35 Cb -0.03 -0.16 -0.10 0.00 0.22 0.00 0.00 35.95 35.88 2kmn h PHE 35 CO -0.06 0.90 0.36 0.93 -2.00 0.00 0.00 178.31 178.43 2kmn h GLU 36 N 0.37 0.49 0.37 6.09 5.08 -1.05 0.19 114.58 126.12 2kmn h GLU 36 Ca 0.06 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2kmn h GLU 36 Cb 0.73 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2kmn h GLU 36 CO 0.05 0.32 -0.18 1.15 -1.00 0.00 0.00 179.01 179.36 2kmn h THR 37 N 0.50 0.00 -0.87 1.13 2.02 0.62 -2.01 112.91 114.30 2kmn h THR 37 Ca 0.44 -0.44 0.23 0.00 0.77 0.00 0.00 66.41 67.41 2kmn h THR 37 Cb 0.68 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.94 2kmn h THR 37 CO -0.40 0.00 0.22 -0.03 0.37 0.00 0.00 175.52 175.68 2kmn h MET 38 N -0.94 0.19 -0.34 6.66 -1.53 0.17 1.09 114.93 120.23 2kmn h MET 38 Ca -0.05 -0.01 -0.16 0.00 -3.44 0.00 0.00 59.70 56.04 2kmn h MET 38 Cb 0.38 -0.04 -0.00 0.00 -0.55 0.00 0.00 31.60 31.39 2kmn h MET 38 CO 0.08 0.13 -0.41 1.88 0.14 0.00 0.00 176.91 178.73 2kmn h TYR 39 N 0.20 1.06 0.00 1.39 0.05 -0.77 0.53 116.97 119.43 2kmn h TYR 39 Ca 0.54 -0.34 -0.00 0.00 0.05 0.00 0.00 58.73 58.98 2kmn h TYR 39 Cb 1.09 -0.22 -0.00 0.00 1.01 0.00 0.00 36.73 38.61 2kmn h TYR 39 CO -0.28 1.15 -0.01 0.00 -1.05 0.00 0.00 178.16 177.97 2kmn h ALA 40 N 0.73 1.71 0.00 3.88 0.00 0.16 1.07 119.26 126.81 2kmn h ALA 40 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2kmn h ALA 40 Cb 1.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2kmn h ALA 40 CO 0.10 0.02 -0.29 -1.91 0.00 0.00 0.00 179.25 177.17 2kmn n GLU 41 N -4.13 0.03 -2.29 0.00 4.07 0.26 -4.91 120.64 113.67 2kmn n GLU 41 Ca -0.03 0.01 -0.17 0.00 -0.06 0.00 0.00 57.16 56.91 2kmn n GLU 41 Cb 0.10 -1.52 -0.01 0.00 -0.06 0.00 0.00 31.44 29.94 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 -1.57 -1.38 -3.04 5.31 1.02 0.37 -4.98 120.64 116.38 2kmn n GLU 42 Ca 0.06 0.86 -0.37 0.00 -0.02 0.00 0.00 57.16 57.69 2kmn n GLU 42 Cb 0.35 -5.32 -0.06 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 -2.25 2.71 0.00 0.62 0.00 0.17 -4.96 107.32 103.62 2kmn s GLY 43 Ca 0.00 0.25 0.30 0.00 0.00 0.00 0.00 44.72 45.27 2kmn s GLY 43 CO 0.00 0.66 2.10 1.39 0.00 0.00 0.00 173.10 177.25 2kmn n ILE 44 N 0.94 0.01 0.00 0.90 5.41 -1.26 -4.38 119.36 120.98 2kmn n ILE 44 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.72 2kmn n ILE 44 Cb 0.50 -0.53 0.00 0.00 -0.71 0.00 0.00 39.64 38.90 2kmn n ILE 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2kmn n GLY 45 N 0.92 1.52 3.14 7.39 0.00 -1.26 0.23 105.19 117.13 2kmn n GLY 45 Ca 0.21 0.16 -0.27 0.00 0.00 0.00 0.00 46.02 46.12 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 1.90 -0.14 0.99 2.96 -0.19 -4.94 118.68 119.26 2kmn s LEU 46 Ca 0.00 -0.38 -0.12 0.00 -0.22 0.00 0.00 54.13 53.41 2kmn s LEU 46 Cb 0.00 -1.04 -0.05 0.00 0.50 0.00 0.00 46.19 45.61 2kmn s LEU 46 CO 0.00 0.14 0.24 0.00 -1.32 0.00 0.00 176.35 175.41 2kmn s ALA 47 N 0.18 3.68 0.18 5.97 0.00 -1.26 -1.78 121.76 128.73 2kmn s ALA 47 Ca -0.08 -0.51 -0.10 0.00 0.00 0.00 0.00 51.96 51.27 2kmn s ALA 47 Cb -0.13 -2.27 0.24 0.00 0.00 0.00 0.00 23.12 20.96 2kmn s ALA 47 CO 0.04 0.24 1.13 0.00 0.00 0.00 0.00 175.76 177.17 2kmn n ALA 48 N 3.09 0.01 -0.28 0.00 0.00 0.20 0.11 120.51 123.65 2kmn n ALA 48 Ca -0.14 0.76 0.13 0.00 0.00 0.00 0.00 53.44 54.18 2kmn n ALA 48 Cb 0.52 -0.39 0.38 0.00 0.00 0.00 0.00 19.45 19.97 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 0.81 -0.48 0.00 1.35 -1.73 0.35 112.91 113.21 2kmn h THR 49 Ca 0.29 -0.23 -0.10 0.00 -0.55 0.00 0.00 66.41 65.81 2kmn h THR 49 Cb 0.47 0.07 -0.02 0.00 -1.73 0.00 0.00 68.15 66.95 2kmn h THR 49 CO -0.73 0.12 -0.12 1.56 -0.25 0.00 0.00 175.52 176.10 2kmn h GLN 50 N 0.68 0.89 -0.27 4.72 4.20 0.50 -2.07 115.11 123.76 2kmn h GLN 50 Ca 0.46 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2kmn h GLN 50 Cb 0.77 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.48 2kmn h GLN 50 CO -0.22 0.96 0.00 1.33 -0.67 0.00 0.00 178.83 180.23 2kmn n VAL 51 N -4.15 0.25 -2.09 -0.54 0.24 0.10 0.22 118.33 112.36 2kmn n VAL 51 Ca 0.01 -0.20 -0.01 0.00 -2.04 0.00 0.00 64.34 62.10 2kmn n VAL 51 Cb 0.39 0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.77 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 -0.05 -1.31 -3.90 -1.34 2.03 -0.51 -4.38 116.55 107.09 2kmn n ASP 52 Ca 0.05 -0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.07 2kmn n ASP 52 Cb 0.17 -0.65 -0.16 0.00 -0.72 0.00 0.00 41.12 39.76 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 -2.18 1.21 -1.25 5.18 -5.25 -0.05 -4.97 121.20 113.88 2kmn s ILE 53 Ca 0.00 -0.76 -0.13 0.00 -0.99 0.00 0.00 60.65 58.77 2kmn s ILE 53 Cb -0.00 -1.40 -0.05 0.00 2.95 0.00 0.00 42.46 43.95 2kmn s ILE 53 CO 0.00 0.08 2.34 0.00 -1.79 0.00 0.00 174.94 175.57 2kmn n HIS 54 N 4.83 2.45 -3.67 1.37 -0.00 -1.26 -2.70 115.22 116.24 2kmn n HIS 54 Ca -0.12 -2.56 -0.11 0.00 -0.00 0.00 0.00 57.72 54.93 2kmn n HIS 54 Cb 0.47 -2.18 -0.09 0.00 -0.00 0.00 0.00 29.99 28.19 2kmn n HIS 54 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 2kmn s GLN 55 N 3.35 0.61 -0.20 -1.40 -0.21 -1.26 -4.04 119.66 116.51 2kmn s GLN 55 Ca 0.54 0.90 -0.26 0.00 0.02 0.00 0.00 55.36 56.56 2kmn s GLN 55 Cb 0.14 0.19 -0.29 0.00 1.00 0.00 0.00 33.01 34.05 2kmn s GLN 55 CO -0.03 -0.12 1.64 0.54 -2.12 0.00 0.00 175.29 175.20 2kmn n ARG 56 N 3.56 0.40 -4.14 2.91 1.74 -0.58 -4.47 116.66 116.08 2kmn n ARG 56 Ca -0.18 -1.17 -0.34 0.00 -0.77 0.00 0.00 57.85 55.39 2kmn n ARG 56 Cb 0.57 -2.56 -0.14 0.00 -1.02 0.00 0.00 32.46 29.30 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 6.30 3.08 0.04 0.55 -1.09 -1.26 0.11 121.20 128.94 2kmn s ILE 57 Ca 0.61 -0.60 0.04 0.00 -2.23 0.00 0.00 60.65 58.47 2kmn s ILE 57 Cb 0.14 -2.36 -0.02 0.00 -1.58 0.00 0.00 42.46 38.63 2kmn s ILE 57 CO 0.26 0.47 -0.13 0.27 -1.23 0.00 0.00 174.94 174.58 2kmn s ILE 58 N 1.19 1.00 -0.02 2.92 -5.25 -0.48 0.62 121.20 121.17 2kmn s ILE 58 Ca 0.02 -1.03 0.05 0.00 -0.99 0.00 0.00 60.65 58.69 2kmn s ILE 58 Cb -0.14 -0.93 -0.01 0.00 2.95 0.00 0.00 42.46 44.33 2kmn s ILE 58 CO -0.03 -0.09 -0.16 0.68 -1.79 0.00 0.00 174.94 173.56 2kmn s VAL 59 N -0.97 1.24 0.02 8.37 -7.23 -0.73 -0.58 120.40 120.53 2kmn s VAL 59 Ca -0.01 -0.66 0.07 0.00 -1.81 0.00 0.00 61.98 59.57 2kmn s VAL 59 Cb -0.08 -1.05 -0.03 0.00 0.56 0.00 0.00 36.38 35.78 2kmn s VAL 59 CO 0.01 0.36 -0.18 -0.63 -0.31 0.00 0.00 175.10 174.35 2kmn s ILE 60 N -0.24 2.80 -0.42 -0.62 1.01 0.30 -1.02 121.20 123.01 2kmn s ILE 60 Ca 0.03 -1.11 0.07 0.00 0.00 0.00 0.00 60.65 59.64 2kmn s ILE 60 Cb -0.07 -2.16 0.42 0.00 0.01 0.00 0.00 42.46 40.66 2kmn s ILE 60 CO 0.00 0.39 1.09 -0.67 0.00 0.00 0.00 174.94 175.74 2kmn n ASP 61 N 1.70 4.25 -3.53 3.58 2.03 0.62 0.38 116.55 125.59 2kmn n ASP 61 Ca -0.16 -3.58 -0.27 0.00 0.52 0.00 0.00 54.79 51.30 2kmn n ASP 61 Cb 0.52 -0.47 -0.09 0.00 -0.72 0.00 0.00 41.12 40.36 2kmn n ASP 61 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2kmn n VAL 62 N -0.42 1.04 -0.06 5.18 0.31 -1.21 -4.52 118.33 118.65 2kmn n VAL 62 Ca 0.35 -4.62 -0.20 0.00 -0.01 0.00 0.00 64.34 59.86 2kmn n VAL 62 Cb 0.68 -2.03 -0.13 0.00 -0.91 0.00 0.00 33.84 31.45 2kmn n VAL 62 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2kmn n SER 63 N 1.61 2.05 -3.61 4.52 7.64 -1.26 -4.85 113.62 119.72 2kmn n SER 63 Ca 0.25 0.03 -0.25 0.00 1.01 0.00 0.00 58.87 59.92 2kmn n SER 63 Cb 0.42 -0.63 0.02 0.00 -1.01 0.00 0.00 64.21 63.01 2kmn n SER 63 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2kmn n GLU 64 N -3.38 -1.26 0.00 1.43 2.13 -1.26 -4.91 120.64 113.39 2kmn n GLU 64 Ca -0.39 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.13 2kmn n GLU 64 Cb 1.02 -3.91 0.00 0.00 0.27 0.00 0.00 31.44 28.81 2kmn n GLU 64 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2kmn n ASN 65 N -2.46 0.64 -0.02 4.31 5.15 -1.26 -5.07 115.26 116.54 2kmn n ASN 65 Ca -0.13 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 53.84 2kmn n ASN 65 Cb 0.60 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.84 2kmn n ASN 65 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 2kmn h ARG 66 N 0.00 -0.05 -5.51 1.20 2.47 -2.06 -3.47 114.38 106.96 2kmn h ARG 66 Ca 0.00 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 58.17 2kmn h ARG 66 Cb 0.00 0.01 -0.30 0.00 -1.65 0.00 0.00 29.97 28.03 2kmn h ARG 66 CO 0.00 -0.03 -0.83 -0.51 0.56 0.00 0.00 179.97 179.15 2kmn s ASP 67 N -5.00 2.08 0.19 7.04 1.01 -1.26 -5.14 116.67 115.59 2kmn s ASP 67 Ca -0.01 -0.33 -0.15 0.00 0.71 0.00 0.00 52.55 52.77 2kmn s ASP 67 Cb 0.00 -0.37 -0.07 0.00 1.01 0.00 0.00 42.92 43.49 2kmn s ASP 67 CO 0.02 0.19 0.61 -1.61 0.21 0.00 0.00 175.17 174.59 2kmn s GLU 68 N -0.23 4.03 -0.33 8.23 8.01 -1.26 -4.86 118.70 132.28 2kmn s GLU 68 Ca 0.03 0.57 0.01 0.00 0.01 0.00 0.00 54.97 55.58 2kmn s GLU 68 Cb -0.09 -2.83 0.30 0.00 -4.31 0.00 0.00 34.13 27.20 2kmn s GLU 68 CO 0.00 0.41 1.30 -2.13 0.01 0.00 0.00 175.26 174.85 2kmn n ARG 69 N 0.55 0.15 -3.76 1.61 0.63 -1.26 -5.02 116.66 109.56 2kmn n ARG 69 Ca -0.03 -0.72 -0.35 0.00 -0.92 0.00 0.00 57.85 55.83 2kmn n ARG 69 Cb 0.52 -0.22 -0.08 0.00 0.45 0.00 0.00 32.46 33.13 2kmn n ARG 69 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2kmn s LEU 70 N -0.59 4.15 -0.04 6.15 1.02 0.16 -4.98 118.68 124.55 2kmn s LEU 70 Ca 0.24 0.20 0.01 0.00 0.02 0.00 0.00 54.13 54.60 2kmn s LEU 70 Cb 0.24 -2.08 0.02 0.00 0.02 0.00 0.00 46.19 44.40 2kmn s LEU 70 CO -0.13 0.17 -0.06 0.54 0.02 0.00 0.00 176.35 176.89 2kmn s VAL 71 N 0.43 0.59 -0.01 -1.59 0.11 -1.26 0.11 120.40 118.79 2kmn s VAL 71 Ca 0.07 -0.18 -0.02 0.00 -2.93 0.00 0.00 61.98 58.92 2kmn s VAL 71 Cb -0.11 -0.59 -0.00 0.00 -1.53 0.00 0.00 36.38 34.14 2kmn s VAL 71 CO -0.01 0.23 0.05 -0.76 -3.33 0.00 0.00 175.10 171.28 2kmn s LEU 72 N 0.72 1.85 -0.05 2.54 2.01 0.25 -4.39 118.68 121.61 2kmn s LEU 72 Ca -0.10 -0.08 0.06 0.00 0.01 0.00 0.00 54.13 54.02 2kmn s LEU 72 Cb -0.13 0.25 -0.01 0.00 0.01 0.00 0.00 46.19 46.31 2kmn s LEU 72 CO 0.01 -0.14 -0.22 -0.63 1.01 0.00 0.00 176.35 176.37 2kmn s ILE 73 N -0.54 1.81 -1.43 -0.59 1.09 0.49 -1.39 121.20 120.64 2kmn s ILE 73 Ca -0.06 -0.94 -0.11 0.00 -1.10 0.00 0.00 60.65 58.45 2kmn s ILE 73 Cb -0.04 -1.54 0.07 0.00 -1.06 0.00 0.00 42.46 39.89 2kmn s ILE 73 CO 0.00 0.51 0.69 0.59 -0.10 0.00 0.00 174.94 176.63 2kmn n ASN 74 N 2.96 -4.48 -4.64 3.58 5.03 0.31 -1.96 115.26 116.05 2kmn n ASN 74 Ca -0.17 -0.53 -0.37 0.00 0.87 0.00 0.00 54.58 54.38 2kmn n ASN 74 Cb 0.52 -3.64 0.07 0.00 -1.02 0.00 0.00 39.78 35.71 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 -4.13 0.80 -3.99 3.52 -0.02 -1.26 -4.79 135.00 125.14 2kmn n PRO 75 Ca -0.01 0.32 -0.12 0.00 -2.02 0.00 0.00 63.50 61.68 2kmn n PRO 75 Cb 0.55 -2.26 -0.12 0.00 -0.02 0.00 0.00 33.50 31.65 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 -3.07 0.27 0.18 -0.52 -1.05 0.11 -4.96 118.70 109.66 2kmn s GLU 76 Ca 0.77 -0.39 -0.29 0.00 -0.15 0.00 0.00 54.97 54.90 2kmn s GLU 76 Cb -0.38 -0.07 -0.08 0.00 -0.44 0.00 0.00 34.13 33.16 2kmn s GLU 76 CO 0.46 0.01 0.92 -1.17 0.95 0.00 0.00 175.26 176.43 2kmn s LEU 77 N -0.85 4.59 -0.07 1.83 2.96 -1.26 -0.81 118.68 125.07 2kmn s LEU 77 Ca -0.08 1.84 0.02 0.00 -0.22 0.00 0.00 54.13 55.70 2kmn s LEU 77 Cb -0.06 -3.55 -0.06 0.00 0.50 0.00 0.00 46.19 43.02 2kmn s LEU 77 CO -0.00 0.09 -0.03 0.18 -1.32 0.00 0.00 176.35 175.26 2kmn n LEU 78 N 1.97 1.85 -3.55 -0.68 7.99 0.58 -4.90 117.00 120.25 2kmn n LEU 78 Ca -0.01 -0.02 -0.16 0.00 -0.01 0.00 0.00 56.01 55.80 2kmn n LEU 78 Cb 0.48 -0.11 -0.06 0.00 -0.11 0.00 0.00 43.42 43.62 2kmn n LEU 78 CO 0.50 0.44 0.47 -0.70 -1.51 0.00 0.00 177.39 176.59 2kmn s GLU 79 N -2.15 0.96 0.02 3.23 2.56 -0.47 -4.92 118.70 117.94 2kmn s GLU 79 Ca -0.07 0.42 -0.01 0.00 0.00 0.00 0.00 54.97 55.31 2kmn s GLU 79 Cb 0.02 0.46 -0.02 0.00 2.00 0.00 0.00 34.13 36.59 2kmn s GLU 79 CO 0.20 -0.26 -0.01 -1.59 -0.56 0.00 0.00 175.26 173.03 2kmn s LYS 80 N -0.81 0.33 -0.09 4.30 -2.85 -1.26 -0.39 119.74 118.97 2kmn s LYS 80 Ca -0.08 -0.60 -0.26 0.00 -1.00 0.00 0.00 55.97 54.03 2kmn s LYS 80 Cb -0.01 0.12 0.06 0.00 -2.06 0.00 0.00 37.83 35.94 2kmn s LYS 80 CO 0.07 -0.06 0.61 -1.54 0.10 0.00 0.00 175.35 174.53 2kmn s SER 81 N -1.49 -0.58 0.19 0.03 1.04 0.39 -4.96 113.70 108.32 2kmn s SER 81 Ca -0.15 0.75 0.00 0.00 0.48 0.00 0.00 55.95 57.03 2kmn s SER 81 Cb -0.09 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.71 2kmn s SER 81 CO -0.01 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.33 2kmn n GLY 82 N 1.41 -2.52 2.63 7.32 0.00 -1.26 0.72 105.19 113.49 2kmn n GLY 82 Ca -0.18 -1.34 -0.24 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.91 0.04 0.25 1.61 2.12 -1.26 -2.01 118.70 116.54 2kmn s GLU 83 Ca 0.00 0.05 0.06 0.00 0.36 0.00 0.00 54.97 55.44 2kmn s GLU 83 Cb 0.00 -1.43 -0.03 0.00 0.26 0.00 0.00 34.13 32.93 2kmn s GLU 83 CO 0.00 -0.56 0.30 0.95 -0.54 0.00 0.00 175.26 175.41 2kmn s THR 84 N 2.14 4.91 -0.23 -1.70 -4.23 0.19 -4.86 115.64 111.86 2kmn s THR 84 Ca 0.03 -1.15 -0.04 0.00 -1.18 0.00 0.00 61.69 59.35 2kmn s THR 84 Cb -0.15 -3.67 0.08 0.00 1.34 0.00 0.00 72.50 70.10 2kmn s THR 84 CO -0.07 -0.33 0.11 -0.83 -0.54 0.00 0.00 174.62 172.96 2kmn s GLY 85 N -3.93 0.44 -0.09 3.99 0.00 -1.26 -2.14 107.32 104.32 2kmn s GLY 85 Ca 0.34 -0.73 -0.09 0.00 0.00 0.00 0.00 44.72 44.24 2kmn s GLY 85 CO 0.27 1.90 0.25 -0.42 0.00 0.00 0.00 173.10 175.11 2kmn s ILE 86 N 2.11 0.00 0.36 0.90 -1.09 -1.24 -4.92 121.20 117.33 2kmn s ILE 86 Ca 0.06 -0.02 -0.26 0.00 -2.23 0.00 0.00 60.65 58.20 2kmn s ILE 86 Cb -0.16 -0.37 -0.09 0.00 -1.58 0.00 0.00 42.46 40.26 2kmn s ILE 86 CO -0.24 -0.01 1.09 -1.61 -1.23 0.00 0.00 174.94 172.94 2kmn s GLU 87 N 0.09 4.28 0.24 2.79 2.02 -1.26 -2.39 118.70 124.47 2kmn s GLU 87 Ca -0.00 1.66 -0.12 0.00 0.02 0.00 0.00 54.97 56.53 2kmn s GLU 87 Cb -0.02 -2.76 -0.01 0.00 0.10 0.00 0.00 34.13 31.44 2kmn s GLU 87 CO 0.00 -0.07 0.45 -1.21 0.02 0.00 0.00 175.26 174.46 2kmn s GLU 88 N -2.14 1.51 0.35 1.61 8.01 -0.81 -4.86 118.70 122.36 2kmn s GLU 88 Ca 0.54 -1.26 0.09 0.00 0.01 0.00 0.00 54.97 54.35 2kmn s GLU 88 Cb -0.27 0.46 -0.06 0.00 -4.31 0.00 0.00 34.13 29.95 2kmn s GLU 88 CO 0.34 -0.62 -0.05 0.20 0.01 0.00 0.00 175.26 175.13 2kmn s GLY 89 N -3.02 2.18 -0.10 -1.39 0.00 -1.26 -0.32 107.32 103.41 2kmn s GLY 89 Ca 0.23 -2.07 0.04 0.00 0.00 0.00 0.00 44.72 42.92 2kmn s GLY 89 CO 0.09 -2.00 -0.22 0.00 0.00 0.00 0.00 173.10 170.96 2kmn n LEU 91 N 3.45 0.34 0.08 0.00 4.77 -1.26 0.63 117.00 125.01 2kmn n LEU 91 Ca -0.19 0.62 -0.19 0.00 -0.03 0.00 0.00 56.01 56.22 2kmn n LEU 91 Cb 0.53 -0.64 -0.15 0.00 -2.33 0.00 0.00 43.42 40.83 2kmn n LEU 91 CO 0.28 -0.73 -0.32 0.28 -1.33 0.00 0.00 177.39 175.56 2kmn h SER 92 N 0.00 0.52 -3.69 -1.43 0.02 -1.91 -3.43 113.55 103.63 2kmn h SER 92 Ca 0.00 -0.67 -0.50 0.00 -0.84 0.00 0.00 61.79 59.78 2kmn h SER 92 Cb 0.17 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2kmn h SER 92 CO 0.00 1.55 0.07 -0.63 -1.14 0.00 0.00 176.83 176.68 2kmn s ILE 93 N -2.61 4.71 0.00 3.27 -1.09 0.20 0.46 121.20 126.14 2kmn s ILE 93 Ca -0.10 0.89 -0.04 0.00 -2.23 0.00 0.00 60.65 59.17 2kmn s ILE 93 Cb 0.06 -3.61 -0.17 0.00 -1.58 0.00 0.00 42.46 37.16 2kmn s ILE 93 CO 0.87 -0.17 2.67 -0.81 -1.23 0.00 0.00 174.94 176.27 2kmn n PRO 94 N -0.34 1.40 -0.86 2.79 -0.04 -1.26 -4.47 135.00 132.23 2kmn n PRO 94 Ca 0.03 -0.64 0.00 0.00 -0.04 0.00 0.00 63.50 62.85 2kmn n PRO 94 Cb 0.53 -1.76 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 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 2.46 0.00 -2.47 0.54 4.71 -1.26 -4.98 120.64 119.64 2kmn n GLU 95 Ca 0.28 0.00 -0.39 0.00 -0.01 0.00 0.00 57.16 57.04 2kmn n GLU 95 Cb 0.65 -2.54 -0.03 0.00 -1.01 0.00 0.00 31.44 28.51 2kmn n GLU 95 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 2kmn s GLN 96 N -0.14 3.45 0.03 3.49 -1.52 -1.26 -4.90 119.66 118.79 2kmn s GLN 96 Ca 0.00 -1.07 -0.25 0.00 -1.95 0.00 0.00 55.36 52.09 2kmn s GLN 96 Cb 0.00 -5.33 -0.05 0.00 -0.22 0.00 0.00 33.01 27.41 2kmn s GLN 96 CO 0.00 -2.42 0.78 1.03 -0.25 0.00 0.00 175.29 174.43 2kmn s ARG 97 N 5.25 4.50 0.07 2.91 0.52 -1.25 -4.55 118.95 126.40 2kmn s ARG 97 Ca 0.51 1.08 0.04 0.00 -0.52 0.00 0.00 55.73 56.84 2kmn s ARG 97 Cb -0.01 -3.38 -0.03 0.00 0.52 0.00 0.00 34.95 32.05 2kmn s ARG 97 CO -0.07 0.22 -0.12 0.00 0.02 0.00 0.00 175.30 175.35 2kmn s ALA 98 N 0.15 1.05 0.18 2.13 0.00 0.56 -4.70 121.76 121.13 2kmn s ALA 98 Ca 0.40 -0.99 -0.30 0.00 0.00 0.00 0.00 51.96 51.07 2kmn s ALA 98 Cb -0.20 -0.05 -0.08 0.00 0.00 0.00 0.00 23.12 22.80 2kmn s ALA 98 CO 0.23 0.09 1.10 -1.17 0.00 0.00 0.00 175.76 176.01 2kmn s LEU 99 N -1.84 4.49 -0.01 0.00 0.20 -1.26 -1.93 118.68 118.33 2kmn s LEU 99 Ca -0.02 2.08 0.04 0.00 0.69 0.00 0.00 54.13 56.92 2kmn s LEU 99 Cb -0.09 -3.60 -0.01 0.00 -0.43 0.00 0.00 46.19 42.06 2kmn s LEU 99 CO 0.02 -0.22 -0.13 0.54 -0.29 0.00 0.00 176.35 176.27 2kmn s VAL 100 N -0.22 1.02 -0.20 1.68 0.11 -1.01 -4.87 120.40 116.91 2kmn s VAL 100 Ca 0.49 -0.57 -0.22 0.00 -2.93 0.00 0.00 61.98 58.75 2kmn s VAL 100 Cb -0.29 -0.85 -0.02 0.00 -1.53 0.00 0.00 36.38 33.68 2kmn s VAL 100 CO 0.35 0.27 0.68 -2.16 -3.33 0.00 0.00 175.10 170.91 2kmn s PRO 101 N -0.34 4.21 0.14 1.54 0.04 -1.26 -3.65 135.00 135.68 2kmn s PRO 101 Ca 0.05 0.70 -0.04 0.00 0.04 0.00 0.00 61.00 61.74 2kmn s PRO 101 Cb -0.05 -3.59 -0.03 0.00 0.04 0.00 0.00 34.50 30.87 2kmn s PRO 101 CO -0.00 -0.30 0.14 -0.98 0.04 0.00 0.00 177.00 175.90 2kmn s ARG 102 N 2.11 1.02 0.65 4.56 3.03 -0.91 -4.97 118.95 124.43 2kmn s ARG 102 Ca 0.30 -1.35 -0.16 0.00 2.03 0.00 0.00 55.73 56.56 2kmn s ARG 102 Cb -0.16 0.29 -0.00 0.00 -1.03 0.00 0.00 34.95 34.05 2kmn s ARG 102 CO 0.10 -0.32 1.13 0.00 -1.13 0.00 0.00 175.30 175.08 2kmn s ALA 103 N -4.02 2.46 0.07 7.88 0.00 -1.24 0.57 121.76 127.47 2kmn s ALA 103 Ca 0.22 0.64 -0.15 0.00 0.00 0.00 0.00 51.96 52.66 2kmn s ALA 103 Cb 0.06 -3.35 -0.16 0.00 0.00 0.00 0.00 23.12 19.67 2kmn s ALA 103 CO 0.01 -1.27 1.28 1.49 0.00 0.00 0.00 175.76 177.27 2kmn h GLU 104 N 0.18 0.65 -3.76 0.00 4.57 0.92 -3.41 114.58 113.74 2kmn h GLU 104 Ca -0.47 -0.51 -0.25 0.00 -1.18 0.00 0.00 59.36 56.94 2kmn h GLU 104 Cb 1.26 0.10 -0.29 0.00 -0.16 0.00 0.00 28.75 29.65 2kmn h GLU 104 CO 0.54 1.13 -0.73 0.15 -1.18 0.00 0.00 179.01 178.92 2kmn s LYS 105 N -3.78 0.05 -0.08 1.92 1.02 -0.64 -0.79 119.74 117.45 2kmn s LYS 105 Ca -0.12 0.01 -0.09 0.00 0.02 0.00 0.00 55.97 55.79 2kmn s LYS 105 Cb 0.07 -0.09 0.02 0.00 -0.52 0.00 0.00 37.83 37.31 2kmn s LYS 105 CO 0.86 -0.02 0.25 0.14 -0.92 0.00 0.00 175.35 175.66 2kmn s VAL 106 N 0.17 0.01 -0.20 3.17 -7.23 0.31 -0.46 120.40 116.17 2kmn s VAL 106 Ca -0.01 -0.10 -0.06 0.00 -1.81 0.00 0.00 61.98 60.00 2kmn s VAL 106 Cb -0.02 -0.38 -0.03 0.00 0.56 0.00 0.00 36.38 36.50 2kmn s VAL 106 CO -0.00 -0.05 0.02 -0.54 -0.31 0.00 0.00 175.10 174.21 2kmn s LYS 107 N -0.11 3.71 0.19 4.82 -0.14 0.47 0.59 119.74 129.28 2kmn s LYS 107 Ca -0.02 -0.48 0.05 0.00 -1.36 0.00 0.00 55.97 54.16 2kmn s LYS 107 Cb -0.03 -3.12 -0.05 0.00 -1.68 0.00 0.00 37.83 32.96 2kmn s LYS 107 CO 0.01 0.08 -0.08 0.96 -0.76 0.00 0.00 175.35 175.55 2kmn s ILE 108 N 0.84 1.33 -0.07 2.17 -5.25 0.83 -0.31 121.20 120.74 2kmn s ILE 108 Ca 0.01 -2.10 0.02 0.00 -0.99 0.00 0.00 60.65 57.60 2kmn s ILE 108 Cb -0.14 -2.08 -0.02 0.00 2.95 0.00 0.00 42.46 43.17 2kmn s ILE 108 CO 0.02 -0.56 -0.12 -0.13 -1.79 0.00 0.00 174.94 172.36 2kmn s ARG 109 N -3.75 2.72 0.24 0.37 0.52 0.01 0.85 118.95 119.92 2kmn s ARG 109 Ca 0.22 -0.66 -0.18 0.00 -0.52 0.00 0.00 55.73 54.60 2kmn s ARG 109 Cb 0.03 -2.47 0.02 0.00 0.52 0.00 0.00 34.95 33.04 2kmn s ARG 109 CO 0.05 0.56 0.59 0.00 0.02 0.00 0.00 175.30 176.52 2kmn s ALA 110 N -0.55 -0.88 0.14 2.13 0.00 0.14 0.07 121.76 122.80 2kmn s ALA 110 Ca 0.08 -0.40 0.08 0.00 0.00 0.00 0.00 51.96 51.72 2kmn s ALA 110 Cb -0.12 0.91 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 2kmn s ALA 110 CO 0.02 -0.90 -0.11 -0.48 0.00 0.00 0.00 175.76 174.28 2kmn s LEU 111 N -2.92 2.96 0.55 0.00 0.05 -0.83 0.15 118.68 118.63 2kmn s LEU 111 Ca 0.13 -0.49 -0.04 0.00 0.05 0.00 0.00 54.13 53.78 2kmn s LEU 111 Cb -0.03 -1.72 0.00 0.00 -2.05 0.00 0.00 46.19 42.39 2kmn s LEU 111 CO 0.04 0.15 0.84 -0.62 -0.55 0.00 0.00 176.35 176.21 2kmn s ASP 112 N -2.44 5.69 0.65 1.48 -1.08 -0.98 0.18 116.67 120.18 2kmn s ASP 112 Ca 0.22 0.63 0.27 0.00 -0.52 0.00 0.00 52.55 53.15 2kmn s ASP 112 Cb -0.10 -1.70 1.43 0.00 -1.46 0.00 0.00 42.92 41.09 2kmn s ASP 112 CO 0.14 -0.95 1.82 -0.09 0.52 0.00 0.00 175.17 176.61 2kmn h ARG 113 N -0.02 0.00 0.00 4.34 2.43 -1.93 0.44 114.38 119.64 2kmn h ARG 113 Ca -0.46 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.68 2kmn h ARG 113 Cb 1.25 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 2kmn h ARG 113 CO 0.60 0.00 -0.17 -0.44 -1.51 0.00 0.00 179.97 178.45 2kmn h ASP 114 N 0.00 0.00 0.00 -3.80 5.19 -1.96 -3.46 116.42 112.39 2kmn h ASP 114 Ca 0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 2kmn h ASP 114 Cb 0.94 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.45 2kmn h ASP 114 CO -0.00 0.17 0.00 0.61 -3.12 0.00 0.00 179.24 176.90 2kmn n GLY 115 N 1.09 1.27 2.83 2.75 0.00 0.15 -5.10 105.19 108.18 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 -0.24 1.03 -0.29 1.61 1.02 -1.25 -4.91 119.74 116.72 2kmn s LYS 116 Ca 0.00 -1.16 -0.29 0.00 0.02 0.00 0.00 55.97 54.54 2kmn s LYS 116 Cb 0.00 -2.35 -0.01 0.00 -0.52 0.00 0.00 37.83 34.95 2kmn s LYS 116 CO 0.00 -0.87 1.45 -2.14 -0.92 0.00 0.00 175.35 172.87 2kmn s PRO 117 N 1.46 3.81 0.35 -1.68 0.02 -1.26 -2.31 135.00 135.37 2kmn s PRO 117 Ca 0.06 1.37 0.05 0.00 0.02 0.00 0.00 61.00 62.50 2kmn s PRO 117 Cb -0.18 -3.97 -0.07 0.00 0.02 0.00 0.00 34.50 30.31 2kmn s PRO 117 CO -0.17 -1.27 0.03 -0.59 -0.33 0.00 0.00 177.00 174.68 2kmn s PHE 118 N 4.90 2.13 -0.17 6.54 -0.12 0.39 -4.88 117.98 126.77 2kmn s PHE 118 Ca 0.63 -0.85 -0.05 0.00 -0.05 0.00 0.00 56.93 56.61 2kmn s PHE 118 Cb -0.19 -1.41 -0.03 0.00 -0.63 0.00 0.00 43.02 40.75 2kmn s PHE 118 CO 0.27 0.16 0.01 -1.21 -0.05 0.00 0.00 175.22 174.39 2kmn s GLU 119 N -3.83 3.79 -0.07 1.99 2.02 -1.26 0.28 118.70 121.64 2kmn s GLU 119 Ca 0.36 -0.45 0.04 0.00 0.02 0.00 0.00 54.97 54.94 2kmn s GLU 119 Cb 0.09 -3.06 -0.00 0.00 0.10 0.00 0.00 34.13 31.26 2kmn s GLU 119 CO 0.16 0.23 -0.20 -0.48 0.02 0.00 0.00 175.26 174.99 2kmn s LEU 120 N 0.43 1.95 -0.20 1.80 0.05 0.25 -4.96 118.68 118.00 2kmn s LEU 120 Ca -0.01 -0.44 -0.18 0.00 0.05 0.00 0.00 54.13 53.56 2kmn s LEU 120 Cb -0.13 -1.16 -0.03 0.00 -2.05 0.00 0.00 46.19 42.81 2kmn s LEU 120 CO 0.02 0.16 0.48 -1.83 -0.55 0.00 0.00 176.35 174.63 2kmn s GLU 121 N 0.17 4.18 -0.08 1.48 -1.05 -1.26 -0.12 118.70 122.02 2kmn s GLU 121 Ca -0.10 0.35 0.03 0.00 -0.15 0.00 0.00 54.97 55.11 2kmn s GLU 121 Cb -0.14 -3.56 -0.02 0.00 -0.44 0.00 0.00 34.13 29.97 2kmn s GLU 121 CO 0.05 -0.12 -0.18 0.00 0.95 0.00 0.00 175.26 175.95 2kmn s ALA 122 N 1.56 2.46 0.26 -0.84 0.00 0.20 -4.95 121.76 120.45 2kmn s ALA 122 Ca 0.23 -0.97 0.06 0.00 0.00 0.00 0.00 51.96 51.27 2kmn s ALA 122 Cb -0.15 -0.94 -0.06 0.00 0.00 0.00 0.00 23.12 21.97 2kmn s ALA 122 CO 0.09 0.39 -0.05 -0.51 0.00 0.00 0.00 175.76 175.68 2kmn s ASP 123 N -0.13 2.57 0.52 0.00 1.01 -1.26 0.11 116.67 119.50 2kmn s ASP 123 Ca -0.03 -1.18 0.00 0.00 0.71 0.00 0.00 52.55 52.05 2kmn s ASP 123 Cb -0.14 -0.13 0.00 0.00 1.01 0.00 0.00 42.92 43.66 2kmn s ASP 123 CO 0.04 -0.36 0.00 0.61 0.21 0.00 0.00 175.17 175.67 2kmn n GLY 124 N -0.54 2.42 0.38 0.21 0.00 0.03 -1.31 105.19 106.38 2kmn n GLY 124 Ca -0.06 -0.15 0.15 0.00 0.00 0.00 0.00 46.02 45.96 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 0.37 0.15 0.99 4.07 -1.98 0.28 115.31 119.20 2kmn h LEU 125 Ca 0.00 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 2kmn h LEU 125 Cb 0.00 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.69 2kmn h LEU 125 CO 0.00 0.20 -0.07 0.25 -1.08 0.00 0.00 178.44 177.73 2kmn h LEU 126 N 0.40 -0.18 -0.31 1.67 7.12 -1.53 -2.22 115.31 120.27 2kmn h LEU 126 Ca 0.35 -0.36 0.01 0.00 0.13 0.00 0.00 57.88 58.01 2kmn h LEU 126 Cb 0.81 0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 40.96 2kmn h LEU 126 CO -0.11 0.33 0.19 0.00 -0.13 0.00 0.00 178.44 178.72 2kmn h ALA 127 N -0.09 0.39 0.54 1.25 0.00 -0.64 -0.54 119.26 120.17 2kmn h ALA 127 Ca -0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2kmn h ALA 127 Cb 0.52 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.22 2kmn h ALA 127 CO 0.03 -0.17 -0.26 0.82 0.00 0.00 0.00 179.25 179.67 2kmn h ILE 128 N 0.38 0.45 -0.05 0.00 1.08 -0.54 -1.10 117.51 117.74 2kmn h ILE 128 Ca 0.12 -0.10 0.02 0.00 -0.39 0.00 0.00 64.86 64.51 2kmn h ILE 128 Cb -0.01 0.50 -0.02 0.00 -3.07 0.00 0.00 36.82 34.21 2kmn h ILE 128 CO -0.05 0.02 -0.07 0.00 -0.69 0.00 0.00 178.15 177.35 2kmn h ILE 130 N -0.11 1.16 -0.58 0.00 2.10 -1.10 -0.42 117.51 118.57 2kmn h ILE 130 Ca 0.05 -0.39 -0.09 0.00 1.08 0.00 0.00 64.86 65.51 2kmn h ILE 130 Cb 0.17 -0.06 -0.02 0.00 -1.09 0.00 0.00 36.82 35.82 2kmn h ILE 130 CO -0.11 0.21 0.02 1.56 -1.08 0.00 0.00 178.15 178.74 2kmn h GLN 131 N 1.13 1.00 -0.38 2.19 4.20 -0.86 -2.40 115.11 119.98 2kmn h GLN 131 Ca 0.34 -0.31 0.05 0.00 0.06 0.00 0.00 58.65 58.80 2kmn h GLN 131 Cb -0.03 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.61 2kmn h GLN 131 CO -0.11 0.99 0.11 1.25 -0.67 0.00 0.00 178.83 180.40 2kmn h HIS 132 N 0.90 0.19 -0.43 2.96 2.76 -0.02 -1.87 115.15 119.63 2kmn h HIS 132 Ca 0.17 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.38 2kmn h HIS 132 Cb 0.52 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.42 2kmn h HIS 132 CO 0.04 0.06 0.25 0.93 -1.30 0.00 0.00 177.93 177.91 2kmn h GLU 133 N 0.25 0.49 -0.41 5.26 4.39 -0.89 0.22 114.58 123.89 2kmn h GLU 133 Ca 0.18 -0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.91 2kmn h GLU 133 Cb 0.18 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.67 2kmn h GLU 133 CO -0.20 0.32 0.12 0.52 -1.16 0.00 0.00 179.01 178.61 2kmn h MET 134 N 0.50 0.26 -0.07 2.33 2.86 -0.92 0.37 114.93 120.26 2kmn h MET 134 Ca 0.18 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.80 2kmn h MET 134 Cb 0.03 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.63 2kmn h MET 134 CO -0.09 0.17 0.04 -0.44 1.06 0.00 0.00 176.91 177.65 2kmn h ASP 135 N 0.26 0.09 0.04 1.22 3.32 -0.83 -2.25 116.42 118.27 2kmn h ASP 135 Ca 0.19 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2kmn h ASP 135 Cb 0.21 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 2kmn h ASP 135 CO -0.22 0.14 -0.05 -0.74 -1.72 0.00 0.00 179.24 176.65 2kmn h HIS 136 N 0.02 -0.12 -0.28 4.55 2.76 0.28 0.12 115.15 122.49 2kmn h HIS 136 Ca 0.02 0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.25 2kmn h HIS 136 Cb 0.08 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 2kmn h HIS 136 CO -0.05 -0.07 0.19 1.37 -1.30 0.00 0.00 177.93 178.07 2kmn h LEU 137 N -0.10 0.14 -1.44 0.26 8.10 -0.22 0.78 115.31 122.83 2kmn h LEU 137 Ca 0.01 -0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.99 2kmn h LEU 137 Cb 0.10 -0.03 -0.00 0.00 -0.44 0.00 0.00 40.66 40.29 2kmn h LEU 137 CO -0.02 0.09 0.01 0.55 -4.11 0.00 0.00 178.44 174.96 2kmn n VAL 138 N -4.48 0.47 -0.90 0.15 3.14 -0.85 -0.15 118.33 115.70 2kmn n VAL 138 Ca 0.03 -0.22 0.00 0.00 -2.96 0.00 0.00 64.34 61.19 2kmn n VAL 138 Cb 0.24 -0.49 0.00 0.00 -1.06 0.00 0.00 33.84 32.53 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 0.10 0.19 3.59 7.55 0.00 0.27 -4.17 105.19 112.72 2kmn n GLY 139 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.22 3.92 0.22 1.61 -2.85 0.39 -4.06 119.74 117.75 2kmn s LYS 140 Ca 0.00 -0.19 0.10 0.00 -1.00 0.00 0.00 55.97 54.89 2kmn s LYS 140 Cb 0.00 -3.68 -0.05 0.00 -2.06 0.00 0.00 37.83 32.05 2kmn s LYS 140 CO 0.00 -0.27 -0.19 -0.51 0.10 0.00 0.00 175.35 174.48 2kmn s LEU 141 N 1.92 2.52 0.47 2.77 1.02 -1.26 -1.76 118.68 124.37 2kmn s LEU 141 Ca 0.11 -0.96 0.15 0.00 0.02 0.00 0.00 54.13 53.44 2kmn s LEU 141 Cb -0.16 -0.95 1.12 0.00 0.02 0.00 0.00 46.19 46.23 2kmn s LEU 141 CO 0.11 -0.01 2.05 2.19 0.02 0.00 0.00 176.35 180.71 2kmn h PHE 142 N 2.71 0.25 0.00 0.29 -5.15 -1.96 -0.18 116.94 112.90 2kmn h PHE 142 Ca -0.41 0.01 -0.02 0.00 -0.20 0.00 0.00 57.97 57.35 2kmn h PHE 142 Cb 1.23 -0.08 -0.00 0.00 0.22 0.00 0.00 35.95 37.32 2kmn h PHE 142 CO 0.74 0.14 -0.09 1.98 -2.00 0.00 0.00 178.31 179.07 2kmn h MET 143 N 0.25 0.00 -0.06 6.09 4.05 -1.96 -2.15 114.93 121.15 2kmn h MET 143 Ca 0.16 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.59 2kmn h MET 143 Cb 0.31 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.11 2kmn h MET 143 CO -0.03 0.09 0.06 -0.44 0.23 0.00 0.00 176.91 176.82 2kmn h ASP 144 N 0.00 0.00 -0.03 1.39 5.19 -1.43 -2.34 116.42 119.21 2kmn h ASP 144 Ca -0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2kmn h ASP 144 Cb 0.23 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.73 2kmn h ASP 144 CO 0.01 0.00 -0.07 0.00 -3.12 0.00 0.00 179.24 176.07 2kmn n TYR 145 N -4.04 0.09 -3.45 4.55 9.36 -0.82 -5.03 117.16 117.83 2kmn n TYR 145 Ca -0.01 -1.07 -0.37 0.00 3.32 0.00 0.00 57.90 59.77 2kmn n TYR 145 Cb 0.16 -0.18 -0.06 0.00 -0.63 0.00 0.00 39.34 38.63 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 -2.93 4.44 0.00 2.98 1.02 -0.88 -5.13 118.68 118.18 2kmn s LEU 146 Ca 0.34 1.01 0.16 0.00 0.02 0.00 0.00 54.13 55.66 2kmn s LEU 146 Cb 0.30 -2.83 0.98 0.00 0.02 0.00 0.00 46.19 44.66 2kmn s LEU 146 CO 0.02 0.25 1.39 -0.24 0.02 0.00 0.00 176.35 177.79