#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 4.48 0.93 -3.33 -7.23 -1.26 -4.59 120.40 109.40 2kmn s VAL 2 Ca 0.00 1.70 -0.16 0.00 -1.81 0.00 0.00 61.98 61.71 2kmn s VAL 2 Cb 0.00 -4.14 0.22 0.00 0.56 0.00 0.00 36.38 33.02 2kmn s VAL 2 CO 0.00 0.47 1.22 0.00 -0.31 0.00 0.00 175.10 176.47 2kmn n LEU 3 N 2.01 0.00 -4.59 1.32 -0.00 -1.26 -4.97 117.00 109.51 2kmn n LEU 3 Ca -0.04 -1.33 -0.43 0.00 -0.00 0.00 0.00 56.01 54.21 2kmn n LEU 3 Cb 0.49 -0.94 -0.02 0.00 -0.00 0.00 0.00 43.42 42.94 2kmn n LEU 3 CO 0.47 -1.45 1.01 -1.58 -0.00 0.00 0.00 177.39 175.84 2kmn s GLN 4 N -5.66 3.64 -0.06 1.47 2.00 -1.26 -5.00 119.66 114.78 2kmn s GLN 4 Ca 0.70 0.41 -0.21 0.00 -2.00 0.00 0.00 55.36 54.27 2kmn s GLN 4 Cb -0.02 -3.94 -0.04 0.00 0.80 0.00 0.00 33.01 29.80 2kmn s GLN 4 CO 0.49 -1.46 0.59 0.08 -0.50 0.00 0.00 175.29 174.49 2kmn s VAL 5 N 4.53 5.06 0.21 1.34 1.01 -1.26 -3.77 120.40 127.51 2kmn s VAL 5 Ca 0.45 1.20 -0.21 0.00 0.00 0.00 0.00 61.98 63.42 2kmn s VAL 5 Cb -0.08 -3.92 -0.08 0.00 0.00 0.00 0.00 36.38 32.30 2kmn s VAL 5 CO 0.29 0.33 0.74 -0.76 0.00 0.00 0.00 175.10 175.71 2kmn s LEU 6 N 0.41 4.41 0.03 3.92 1.43 0.44 -4.93 118.68 124.39 2kmn s LEU 6 Ca 0.31 1.49 0.07 0.00 -1.03 0.00 0.00 54.13 54.97 2kmn s LEU 6 Cb -0.17 -3.50 -0.03 0.00 0.03 0.00 0.00 46.19 42.52 2kmn s LEU 6 CO 0.15 0.08 -0.19 -1.00 0.23 0.00 0.00 176.35 175.62 2kmn s HIS 7 N -1.42 2.53 0.43 0.29 3.76 -1.26 -3.70 115.29 115.93 2kmn s HIS 7 Ca 0.41 -0.28 -0.24 0.00 -0.15 0.00 0.00 55.06 54.80 2kmn s HIS 7 Cb -0.18 -1.48 -0.10 0.00 1.11 0.00 0.00 32.58 31.93 2kmn s HIS 7 CO 0.22 0.21 1.04 -0.89 -0.85 0.00 0.00 174.74 174.47 2kmn n ILE 8 N 1.72 2.55 -1.86 0.60 2.08 0.02 -1.09 119.36 123.38 2kmn n ILE 8 Ca -0.16 -0.50 -0.35 0.00 0.56 0.00 0.00 62.75 62.30 2kmn n ILE 8 Cb 0.52 -1.21 -0.02 0.00 -0.75 0.00 0.00 39.64 38.19 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 0.04 3.49 -1.68 0.38 -0.04 -1.26 -4.92 135.00 131.02 2kmn n PRO 9 Ca 0.09 -3.18 -0.44 0.00 -0.04 0.00 0.00 63.50 59.93 2kmn n PRO 9 Cb 0.40 -2.35 -0.03 0.00 -0.04 0.00 0.00 33.50 31.49 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 0.73 2.89 -0.27 3.54 -0.08 -0.25 -4.89 116.55 118.23 2kmn n ASP 10 Ca 0.53 1.14 -0.04 0.00 -1.51 0.00 0.00 54.79 54.91 2kmn n ASP 10 Cb 0.37 -1.45 0.07 0.00 2.34 0.00 0.00 41.12 42.45 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 4.36 0.95 -0.03 -0.67 9.09 -1.97 -2.14 114.58 124.17 2kmn h GLU 11 Ca -0.45 -0.06 0.01 0.00 0.05 0.00 0.00 59.36 58.91 2kmn h GLU 11 Cb 1.27 -0.21 -0.00 0.00 -1.65 0.00 0.00 28.75 28.15 2kmn h GLU 11 CO 0.77 0.63 0.05 0.00 0.05 0.00 0.00 179.01 180.50 2kmn h ARG 12 N 0.97 0.00 0.01 1.06 2.47 -1.90 0.64 114.38 117.63 2kmn h ARG 12 Ca 0.28 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.80 2kmn h ARG 12 Cb -0.08 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.23 2kmn h ARG 12 CO -0.07 0.00 -0.88 -0.07 0.56 0.00 0.00 179.97 179.50 2kmn h LEU 13 N 0.00 0.25 -1.19 3.04 3.38 -1.56 -2.40 115.31 116.84 2kmn h LEU 13 Ca 0.01 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2kmn h LEU 13 Cb 0.11 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2kmn h LEU 13 CO -0.00 1.01 0.00 0.54 0.09 0.00 0.00 178.44 180.08 2kmn n ARG 14 N -3.65 1.79 -2.91 1.13 5.12 0.40 -3.85 116.66 114.68 2kmn n ARG 14 Ca -0.04 -1.18 -0.35 0.00 -1.93 0.00 0.00 57.85 54.36 2kmn n ARG 14 Cb 0.81 -1.43 -0.06 0.00 -1.16 0.00 0.00 32.46 30.62 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 -1.83 4.32 0.10 5.56 2.20 0.20 -4.37 119.74 125.92 2kmn s LYS 15 Ca 0.34 1.07 -0.28 0.00 -0.36 0.00 0.00 55.97 56.74 2kmn s LYS 15 Cb 0.19 -2.58 -0.06 0.00 -1.51 0.00 0.00 37.83 33.87 2kmn s LYS 15 CO 0.29 0.20 0.87 0.08 -0.36 0.00 0.00 175.35 176.42 2kmn s VAL 16 N -1.82 4.55 0.03 4.02 1.01 -1.26 -1.12 120.40 125.81 2kmn s VAL 16 Ca 0.53 1.88 -0.17 0.00 0.00 0.00 0.00 61.98 64.21 2kmn s VAL 16 Cb -0.14 -4.23 -0.06 0.00 0.00 0.00 0.00 36.38 31.95 2kmn s VAL 16 CO 0.19 0.36 0.48 0.00 0.00 0.00 0.00 175.10 176.14 2kmn s ALA 17 N -0.20 3.64 -0.18 5.51 0.00 0.88 -4.70 121.76 126.72 2kmn s ALA 17 Ca 0.42 -0.10 -0.08 0.00 0.00 0.00 0.00 51.96 52.21 2kmn s ALA 17 Cb -0.22 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.35 2kmn s ALA 17 CO 0.27 0.43 0.07 -1.59 0.00 0.00 0.00 175.76 174.94 2kmn s LYS 18 N -1.04 3.96 -0.32 0.00 -2.85 -1.26 -4.34 119.74 113.89 2kmn s LYS 18 Ca 0.26 -0.32 -0.29 0.00 -1.00 0.00 0.00 55.97 54.62 2kmn s LYS 18 Cb -0.18 -3.23 0.01 0.00 -2.06 0.00 0.00 37.83 32.37 2kmn s LYS 18 CO 0.16 0.31 1.24 -1.25 0.10 0.00 0.00 175.35 175.91 2kmn s PRO 19 N 0.28 3.92 0.42 1.78 0.04 -1.26 -1.91 135.00 138.27 2kmn s PRO 19 Ca 0.04 1.14 -0.25 0.00 0.04 0.00 0.00 61.00 61.98 2kmn s PRO 19 Cb -0.12 -3.85 -0.08 0.00 0.04 0.00 0.00 34.50 30.48 2kmn s PRO 19 CO -0.00 -1.11 1.20 0.08 0.04 0.00 0.00 177.00 177.21 2kmn s VAL 20 N 4.25 2.99 0.46 -0.36 1.01 -1.26 -4.92 120.40 122.57 2kmn s VAL 20 Ca 0.53 0.82 0.29 0.00 0.00 0.00 0.00 61.98 63.62 2kmn s VAL 20 Cb -0.15 -3.45 0.32 0.00 0.00 0.00 0.00 36.38 33.11 2kmn s VAL 20 CO 0.22 0.06 2.13 -0.33 0.00 0.00 0.00 175.10 177.18 2kmn h GLU 21 N 2.44 0.00 -1.95 2.72 4.39 -2.03 -3.44 114.58 116.71 2kmn h GLU 21 Ca -0.49 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.18 2kmn h GLU 21 Cb 1.24 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.68 2kmn h GLU 21 CO 0.62 0.08 0.19 -2.00 -1.16 0.00 0.00 179.01 176.74 2kmn s GLU 22 N -4.27 0.87 -0.54 2.33 2.12 -1.26 -5.12 118.70 112.83 2kmn s GLU 22 Ca -0.03 0.71 -0.28 0.00 0.36 0.00 0.00 54.97 55.72 2kmn s GLU 22 Cb 0.13 0.42 0.03 0.00 0.26 0.00 0.00 34.13 34.97 2kmn s GLU 22 CO 0.56 -0.17 1.24 0.08 -0.54 0.00 0.00 175.26 176.43 2kmn s VAL 23 N -0.17 4.01 0.40 3.70 1.01 -1.26 -5.01 120.40 123.07 2kmn s VAL 23 Ca -0.03 0.94 -0.02 0.00 0.00 0.00 0.00 61.98 62.87 2kmn s VAL 23 Cb -0.03 -4.60 -0.03 0.00 0.00 0.00 0.00 36.38 31.71 2kmn s VAL 23 CO 0.03 -1.18 0.65 0.20 0.00 0.00 0.00 175.10 174.80 2kmn s ASN 24 N 3.19 6.28 0.54 3.32 0.01 -1.26 -4.88 114.94 122.14 2kmn s ASN 24 Ca 0.48 0.66 0.23 0.00 -0.71 0.00 0.00 52.86 53.51 2kmn s ASN 24 Cb -0.08 -2.12 1.41 0.00 0.41 0.00 0.00 41.25 40.86 2kmn s ASN 24 CO 0.28 -0.41 2.07 0.00 -1.51 0.00 0.00 177.10 177.52 2kmn h ALA 25 N 0.55 2.20 -0.18 0.60 0.00 -1.98 0.42 119.26 120.86 2kmn h ALA 25 Ca -0.49 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.27 2kmn h ALA 25 Cb 1.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2kmn h ALA 25 CO 0.62 -0.37 -0.44 0.93 0.00 0.00 0.00 179.25 179.98 2kmn h GLU 26 N 0.00 0.62 -0.35 0.00 5.08 -1.99 -2.04 114.58 115.90 2kmn h GLU 26 Ca 0.14 -0.42 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 2kmn h GLU 26 Cb 0.58 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 2kmn h GLU 26 CO -0.00 1.04 0.17 0.82 -1.00 0.00 0.00 179.01 180.04 2kmn h ILE 27 N 0.29 1.16 -0.99 3.13 5.03 -1.12 -2.12 117.51 122.89 2kmn h ILE 27 Ca -0.00 -0.45 0.06 0.00 -0.12 0.00 0.00 64.86 64.35 2kmn h ILE 27 Cb 1.05 0.81 -0.07 0.00 -3.03 0.00 0.00 36.82 35.59 2kmn h ILE 27 CO 0.10 0.17 0.64 1.56 -0.68 0.00 0.00 178.15 179.93 2kmn h GLN 28 N 0.43 1.13 -0.79 2.37 4.20 -0.27 -0.33 115.11 121.84 2kmn h GLN 28 Ca 0.12 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 2kmn h GLN 28 Cb 0.11 -0.25 -0.04 0.00 0.30 0.00 0.00 27.48 27.60 2kmn h GLN 28 CO -0.02 0.75 0.41 0.00 -0.67 0.00 0.00 178.83 179.30 2kmn h ARG 29 N 1.16 1.11 -0.14 1.46 3.08 -0.93 0.73 114.38 120.85 2kmn h ARG 29 Ca 0.42 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 60.35 2kmn h ARG 29 Cb 0.15 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 2kmn h ARG 29 CO -0.17 0.83 0.04 0.82 -1.07 0.00 0.00 179.97 180.43 2kmn h ILE 30 N 1.11 0.96 -0.49 2.04 5.03 -0.43 -2.05 117.51 123.68 2kmn h ILE 30 Ca 0.28 -0.04 -0.07 0.00 -0.12 0.00 0.00 64.86 64.90 2kmn h ILE 30 Cb 0.06 0.84 -0.02 0.00 -3.03 0.00 0.00 36.82 34.67 2kmn h ILE 30 CO -0.04 0.02 0.02 0.58 -0.68 0.00 0.00 178.15 178.05 2kmn h VAL 31 N 0.11 1.26 -0.64 1.67 2.07 -0.94 -0.76 116.25 119.03 2kmn h VAL 31 Ca 0.06 -1.04 0.09 0.00 0.82 0.00 0.00 66.70 66.63 2kmn h VAL 31 Cb 0.04 0.96 -0.07 0.00 -1.52 0.00 0.00 31.29 30.70 2kmn h VAL 31 CO -0.07 0.37 0.28 0.44 0.02 0.00 0.00 177.57 178.61 2kmn h ASP 32 N 0.72 0.33 0.69 0.57 3.32 -0.63 0.15 116.42 121.56 2kmn h ASP 32 Ca 0.14 0.07 -0.16 0.00 0.02 0.00 0.00 57.03 57.10 2kmn h ASP 32 Cb 0.49 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 2kmn h ASP 32 CO 0.02 0.19 -0.76 0.44 -1.72 0.00 0.00 179.24 177.42 2kmn h ASP 33 N 0.49 0.07 -0.29 6.45 3.32 -1.32 -2.63 116.42 122.51 2kmn h ASP 33 Ca 0.32 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.32 2kmn h ASP 33 Cb 0.36 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 2kmn h ASP 33 CO -0.28 0.80 0.19 0.24 -1.72 0.00 0.00 179.24 178.47 2kmn h MET 34 N 0.03 0.37 -0.26 3.56 2.86 0.55 0.77 114.93 122.82 2kmn h MET 34 Ca -0.01 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.51 2kmn h MET 34 Cb 1.34 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.91 2kmn h MET 34 CO 0.10 0.25 -0.21 0.27 1.06 0.00 0.00 176.91 178.38 2kmn h PHE 35 N 0.38 0.70 -0.89 -0.22 -5.15 -1.37 0.31 116.94 110.71 2kmn h PHE 35 Ca 0.11 -0.20 0.16 0.00 -0.20 0.00 0.00 57.97 57.84 2kmn h PHE 35 Cb -0.04 -0.15 -0.10 0.00 0.22 0.00 0.00 35.95 35.88 2kmn h PHE 35 CO -0.06 0.89 0.48 0.93 -2.00 0.00 0.00 178.31 178.55 2kmn h GLU 36 N 0.31 0.64 0.57 6.09 5.08 -1.05 0.17 114.58 126.40 2kmn h GLU 36 Ca 0.05 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 2kmn h GLU 36 Cb 0.75 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.86 2kmn h GLU 36 CO 0.05 0.43 -0.27 1.15 -1.00 0.00 0.00 179.01 179.37 2kmn h THR 37 N 0.66 0.00 -0.92 1.13 2.02 0.78 -2.30 112.91 114.29 2kmn h THR 37 Ca 0.49 -0.41 0.24 0.00 0.77 0.00 0.00 66.41 67.50 2kmn h THR 37 Cb 0.72 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.00 2kmn h THR 37 CO -0.37 0.00 0.41 -0.03 0.37 0.00 0.00 175.52 175.90 2kmn h MET 38 N -1.18 0.36 -0.32 6.66 -1.53 0.22 1.07 114.93 120.21 2kmn h MET 38 Ca -0.08 -0.02 -0.12 0.00 -3.44 0.00 0.00 59.70 56.04 2kmn h MET 38 Cb 0.59 -0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 31.55 2kmn h MET 38 CO 0.13 0.24 -0.26 1.88 0.14 0.00 0.00 176.91 179.04 2kmn h TYR 39 N 0.37 0.87 0.00 1.39 -1.99 -0.80 0.54 116.97 117.36 2kmn h TYR 39 Ca 0.59 -0.25 -0.00 0.00 2.00 0.00 0.00 58.73 61.07 2kmn h TYR 39 Cb 1.17 -0.19 -0.00 0.00 2.00 0.00 0.00 36.73 39.71 2kmn h TYR 39 CO -0.13 0.99 -0.00 0.00 -0.00 0.00 0.00 178.16 179.02 2kmn h ALA 40 N 0.74 1.88 0.00 3.88 0.00 0.15 1.11 119.26 127.01 2kmn h ALA 40 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2kmn h ALA 40 Cb 0.82 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2kmn h ALA 40 CO 0.07 0.00 -0.22 -1.91 0.00 0.00 0.00 179.25 177.19 2kmn n GLU 41 N -4.37 0.05 -1.94 0.00 4.07 0.19 -4.89 120.64 113.74 2kmn n GLU 41 Ca -0.03 0.02 -0.18 0.00 -0.06 0.00 0.00 57.16 56.91 2kmn n GLU 41 Cb 0.09 -1.54 -0.04 0.00 -0.06 0.00 0.00 31.44 29.89 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 -1.61 -1.35 -2.67 5.31 -0.58 0.38 -4.96 120.64 115.16 2kmn n GLU 42 Ca 0.06 1.00 -0.37 0.00 -0.42 0.00 0.00 57.16 57.44 2kmn n GLU 42 Cb 0.35 -5.39 -0.05 0.00 -0.57 0.00 0.00 31.44 25.78 2kmn n GLU 42 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2kmn s GLY 43 N -2.49 2.76 0.00 0.62 0.00 0.17 -4.94 107.32 103.45 2kmn s GLY 43 Ca 0.00 0.61 0.28 0.00 0.00 0.00 0.00 44.72 45.61 2kmn s GLY 43 CO 0.00 1.04 2.00 1.39 0.00 0.00 0.00 173.10 177.53 2kmn n ILE 44 N 0.26 0.05 0.00 0.90 2.08 -1.26 -4.45 119.36 116.93 2kmn n ILE 44 Ca 0.03 0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.36 2kmn n ILE 44 Cb 0.50 -0.56 0.00 0.00 -0.75 0.00 0.00 39.64 38.82 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 0.90 1.69 3.14 7.39 0.00 -1.26 0.22 105.19 117.27 2kmn n GLY 45 Ca 0.18 0.08 -0.26 0.00 0.00 0.00 0.00 46.02 46.01 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 1.92 -0.16 0.99 2.96 0.06 -4.92 118.68 119.53 2kmn s LEU 46 Ca 0.00 -0.36 -0.06 0.00 -0.22 0.00 0.00 54.13 53.48 2kmn s LEU 46 Cb 0.00 -1.00 -0.04 0.00 0.50 0.00 0.00 46.19 45.65 2kmn s LEU 46 CO 0.00 0.15 0.06 0.00 -1.32 0.00 0.00 176.35 175.24 2kmn s ALA 47 N 0.05 3.44 0.11 5.97 0.00 -1.26 -1.37 121.76 128.69 2kmn s ALA 47 Ca -0.04 -0.74 -0.12 0.00 0.00 0.00 0.00 51.96 51.06 2kmn s ALA 47 Cb -0.12 -1.85 0.07 0.00 0.00 0.00 0.00 23.12 21.22 2kmn s ALA 47 CO 0.02 0.30 0.83 0.00 0.00 0.00 0.00 175.76 176.91 2kmn n ALA 48 N 3.12 -0.16 -0.23 0.00 0.00 0.18 0.85 120.51 124.27 2kmn n ALA 48 Ca -0.17 0.51 0.17 0.00 0.00 0.00 0.00 53.44 53.94 2kmn n ALA 48 Cb 0.53 -0.18 0.48 0.00 0.00 0.00 0.00 19.45 20.27 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 0.74 -0.68 0.00 1.35 -1.75 0.27 112.91 112.83 2kmn h THR 49 Ca 0.15 -0.16 -0.07 0.00 -0.55 0.00 0.00 66.41 65.78 2kmn h THR 49 Cb 0.29 0.22 -0.03 0.00 -1.73 0.00 0.00 68.15 66.90 2kmn h THR 49 CO -0.52 0.09 0.15 1.56 -0.25 0.00 0.00 175.52 176.55 2kmn h GLN 50 N 0.48 1.09 -0.56 4.72 4.20 0.17 -2.21 115.11 122.99 2kmn h GLN 50 Ca 0.45 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.89 2kmn h GLN 50 Cb 1.00 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.63 2kmn h GLN 50 CO -0.18 0.97 0.00 1.33 -0.67 0.00 0.00 178.83 180.28 2kmn n VAL 51 N -4.23 0.76 -2.09 -0.54 0.24 0.82 -0.42 118.33 112.87 2kmn n VAL 51 Ca 0.05 -0.49 -0.01 0.00 -2.04 0.00 0.00 64.34 61.85 2kmn n VAL 51 Cb 0.26 -0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.55 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 0.34 -1.36 -3.93 -1.34 2.03 -0.83 -4.40 116.55 107.06 2kmn n ASP 52 Ca 0.11 -0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.12 2kmn n ASP 52 Cb 0.44 -0.70 -0.16 0.00 -0.72 0.00 0.00 41.12 39.99 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 -2.19 1.43 -1.21 5.18 -5.25 -0.50 -4.98 121.20 113.68 2kmn s ILE 53 Ca 0.00 -1.08 -0.12 0.00 -0.99 0.00 0.00 60.65 58.46 2kmn s ILE 53 Cb -0.00 -1.68 -0.06 0.00 2.95 0.00 0.00 42.46 43.67 2kmn s ILE 53 CO 0.00 -0.05 2.35 0.00 -1.79 0.00 0.00 174.94 175.46 2kmn n HIS 54 N 4.72 2.24 -3.70 1.37 1.44 -1.26 -2.84 115.22 117.20 2kmn n HIS 54 Ca -0.12 -2.48 -0.12 0.00 -2.01 0.00 0.00 57.72 52.99 2kmn n HIS 54 Cb 0.45 -2.11 -0.10 0.00 0.12 0.00 0.00 29.99 28.35 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 3.32 0.52 -0.34 -1.40 -0.21 -1.26 -3.98 119.66 116.31 2kmn s GLN 55 Ca 0.53 0.78 -0.25 0.00 0.02 0.00 0.00 55.36 56.45 2kmn s GLN 55 Cb 0.14 0.15 -0.26 0.00 1.00 0.00 0.00 33.01 34.05 2kmn s GLN 55 CO -0.02 -0.11 1.71 0.54 -2.12 0.00 0.00 175.29 175.29 2kmn n ARG 56 N 3.52 0.68 -4.15 2.91 1.74 -0.80 -4.49 116.66 116.07 2kmn n ARG 56 Ca -0.18 -1.33 -0.34 0.00 -0.77 0.00 0.00 57.85 55.23 2kmn n ARG 56 Cb 0.56 -2.64 -0.14 0.00 -1.02 0.00 0.00 32.46 29.23 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 5.94 3.35 0.05 0.55 1.01 -1.26 0.12 121.20 130.96 2kmn s ILE 57 Ca 0.59 -0.52 0.05 0.00 0.00 0.00 0.00 60.65 60.77 2kmn s ILE 57 Cb 0.14 -2.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.09 2kmn s ILE 57 CO 0.22 0.45 -0.14 -0.51 0.00 0.00 0.00 174.94 174.97 2kmn s ILE 58 N 1.11 1.07 -0.02 2.92 -1.16 0.15 0.50 121.20 125.77 2kmn s ILE 58 Ca 0.01 -1.10 0.04 0.00 -0.51 0.00 0.00 60.65 59.09 2kmn s ILE 58 Cb -0.15 -1.00 -0.01 0.00 0.61 0.00 0.00 42.46 41.92 2kmn s ILE 58 CO -0.01 -0.10 -0.14 0.68 -2.81 0.00 0.00 174.94 172.57 2kmn s VAL 59 N -1.02 1.11 0.11 4.00 -7.23 -0.47 -0.03 120.40 116.87 2kmn s VAL 59 Ca -0.00 -0.58 0.09 0.00 -1.81 0.00 0.00 61.98 59.68 2kmn s VAL 59 Cb -0.09 -0.95 -0.04 0.00 0.56 0.00 0.00 36.38 35.87 2kmn s VAL 59 CO 0.02 0.32 -0.19 -0.63 -0.31 0.00 0.00 175.10 174.30 2kmn s ILE 60 N -0.13 2.75 -0.08 -0.62 1.01 0.26 -0.76 121.20 123.64 2kmn s ILE 60 Ca 0.01 -1.50 0.23 0.00 0.00 0.00 0.00 60.65 59.40 2kmn s ILE 60 Cb -0.08 -2.24 0.44 0.00 0.01 0.00 0.00 42.46 40.60 2kmn s ILE 60 CO 0.00 0.13 1.17 -0.67 0.00 0.00 0.00 174.94 175.57 2kmn n ASP 61 N 0.92 1.31 -4.49 3.58 2.03 0.60 -0.52 116.55 119.97 2kmn n ASP 61 Ca -0.16 -2.30 -0.43 0.00 0.52 0.00 0.00 54.79 52.42 2kmn n ASP 61 Cb 0.53 -0.36 -0.09 0.00 -0.72 0.00 0.00 41.12 40.48 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 -1.18 5.07 0.00 5.18 1.01 -0.90 -4.63 120.40 124.95 2kmn s VAL 62 Ca 0.34 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2kmn s VAL 62 Cb 0.38 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.71 2kmn s VAL 62 CO -0.13 -0.42 0.77 -1.20 0.00 0.00 0.00 175.10 174.12 2kmn n SER 63 N 5.65 -1.54 0.28 3.32 7.64 -1.26 -4.66 113.62 123.06 2kmn n SER 63 Ca -0.07 -1.06 0.17 0.00 1.01 0.00 0.00 58.87 58.91 2kmn n SER 63 Cb 0.48 -0.43 0.82 0.00 -1.01 0.00 0.00 64.21 64.06 2kmn n SER 63 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2kmn h GLU 64 N 7.16 0.00 0.00 1.43 4.81 -1.92 -3.46 114.58 122.59 2kmn h GLU 64 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kmn h GLU 64 Cb 0.77 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.15 2kmn h GLU 64 CO 0.77 0.06 0.00 -1.71 -0.73 0.00 0.00 179.01 177.40 2kmn n ASN 65 N -3.31 0.00 0.03 1.04 5.15 -1.26 -5.05 115.26 111.86 2kmn n ASN 65 Ca -0.01 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.87 2kmn n ASN 65 Cb 0.23 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.40 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 -0.17 -5.50 1.20 3.08 -2.01 -3.45 114.38 107.53 2kmn h ARG 66 Ca 0.00 0.01 -0.64 0.00 0.07 0.00 0.00 59.98 59.42 2kmn h ARG 66 Cb 0.00 0.04 -0.17 0.00 0.08 0.00 0.00 29.97 29.92 2kmn h ARG 66 CO 0.00 0.27 -0.61 -0.51 -1.07 0.00 0.00 179.97 178.05 2kmn s ASP 67 N -5.55 5.25 -0.09 7.04 1.01 -1.26 -5.08 116.67 117.99 2kmn s ASP 67 Ca -0.12 0.04 -0.25 0.00 0.71 0.00 0.00 52.55 52.93 2kmn s ASP 67 Cb 0.00 -1.76 -0.03 0.00 1.01 0.00 0.00 42.92 42.14 2kmn s ASP 67 CO 0.45 0.24 0.77 -1.61 0.21 0.00 0.00 175.17 175.23 2kmn s GLU 68 N -0.04 4.40 0.00 8.23 2.02 -1.26 -4.66 118.70 127.39 2kmn s GLU 68 Ca 0.04 0.98 0.00 0.00 0.02 0.00 0.00 54.97 56.01 2kmn s GLU 68 Cb -0.13 -3.49 0.00 0.00 0.10 0.00 0.00 34.13 30.61 2kmn s GLU 68 CO 0.02 -0.08 0.00 -2.13 0.02 0.00 0.00 175.26 173.09 2kmn n ARG 69 N 4.28 0.00 -4.01 1.61 0.63 -1.26 -5.03 116.66 112.88 2kmn n ARG 69 Ca 0.01 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.60 2kmn n ARG 69 Cb 0.50 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.32 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 0.00 3.89 -0.04 6.15 2.01 0.32 -5.00 118.68 126.02 2kmn s LEU 70 Ca 0.00 0.15 0.01 0.00 0.01 0.00 0.00 54.13 54.30 2kmn s LEU 70 Cb 0.00 -1.97 0.02 0.00 0.01 0.00 0.00 46.19 44.25 2kmn s LEU 70 CO 0.00 0.23 -0.05 0.54 1.01 0.00 0.00 176.35 178.08 2kmn s VAL 71 N 0.06 0.54 -0.00 -1.59 0.11 -1.26 0.92 120.40 119.17 2kmn s VAL 71 Ca 0.06 -0.15 0.00 0.00 -2.93 0.00 0.00 61.98 58.96 2kmn s VAL 71 Cb -0.12 -0.56 -0.00 0.00 -1.53 0.00 0.00 36.38 34.17 2kmn s VAL 71 CO 0.01 0.22 -0.00 -0.76 -3.33 0.00 0.00 175.10 171.23 2kmn s LEU 72 N 0.77 2.00 -0.06 2.54 1.02 0.96 -4.25 118.68 121.66 2kmn s LEU 72 Ca -0.10 -0.00 0.06 0.00 0.02 0.00 0.00 54.13 54.10 2kmn s LEU 72 Cb -0.13 -0.01 -0.01 0.00 0.02 0.00 0.00 46.19 46.06 2kmn s LEU 72 CO 0.00 0.00 -0.25 -0.63 0.02 0.00 0.00 176.35 175.50 2kmn s ILE 73 N -0.01 2.07 -1.42 -0.59 1.09 0.40 -0.67 121.20 122.07 2kmn s ILE 73 Ca 0.00 -1.06 -0.08 0.00 -1.10 0.00 0.00 60.65 58.42 2kmn s ILE 73 Cb -0.00 -1.75 0.04 0.00 -1.06 0.00 0.00 42.46 39.69 2kmn s ILE 73 CO -0.00 0.57 0.61 0.59 -0.10 0.00 0.00 174.94 176.61 2kmn n ASN 74 N 3.04 -4.91 -4.63 3.58 5.03 0.32 -1.99 115.26 115.70 2kmn n ASN 74 Ca -0.18 -0.39 -0.38 0.00 0.87 0.00 0.00 54.58 54.50 2kmn n ASN 74 Cb 0.52 -3.99 0.05 0.00 -1.02 0.00 0.00 39.78 35.34 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 -3.99 1.03 -4.13 3.52 -0.02 -1.26 -4.79 135.00 125.37 2kmn n PRO 75 Ca -0.05 0.39 -0.15 0.00 -2.02 0.00 0.00 63.50 61.68 2kmn n PRO 75 Cb 0.57 -2.19 -0.13 0.00 -0.02 0.00 0.00 33.50 31.73 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 -2.68 0.48 0.07 -0.52 -1.05 0.15 -4.95 118.70 110.21 2kmn s GLU 76 Ca 0.74 -0.44 -0.26 0.00 -0.15 0.00 0.00 54.97 54.86 2kmn s GLU 76 Cb -0.43 -0.38 -0.06 0.00 -0.44 0.00 0.00 34.13 32.82 2kmn s GLU 76 CO 0.48 0.09 0.82 -1.17 0.95 0.00 0.00 175.26 176.43 2kmn s LEU 77 N -0.75 4.48 -0.03 1.83 0.20 -1.26 -0.53 118.68 122.61 2kmn s LEU 77 Ca -0.03 1.56 0.02 0.00 0.69 0.00 0.00 54.13 56.37 2kmn s LEU 77 Cb -0.05 -3.33 -0.04 0.00 -0.43 0.00 0.00 46.19 42.34 2kmn s LEU 77 CO 0.00 0.02 0.00 0.18 -0.29 0.00 0.00 176.35 176.26 2kmn n LEU 78 N 2.66 0.59 -3.50 -0.68 7.99 0.73 -4.92 117.00 119.86 2kmn n LEU 78 Ca -0.02 -0.00 -0.17 0.00 -0.01 0.00 0.00 56.01 55.81 2kmn n LEU 78 Cb 0.50 0.04 -0.05 0.00 -0.11 0.00 0.00 43.42 43.79 2kmn n LEU 78 CO 0.48 0.18 0.45 -0.70 -1.51 0.00 0.00 177.39 176.28 2kmn s GLU 79 N -2.08 1.08 0.01 3.23 2.12 -0.48 -4.91 118.70 117.68 2kmn s GLU 79 Ca -0.02 0.13 -0.13 0.00 0.36 0.00 0.00 54.97 55.31 2kmn s GLU 79 Cb 0.01 0.51 0.02 0.00 0.26 0.00 0.00 34.13 34.92 2kmn s GLU 79 CO 0.13 -0.37 0.26 -1.59 -0.54 0.00 0.00 175.26 173.15 2kmn s LYS 80 N -1.65 0.67 -0.16 4.30 0.00 -1.26 -0.08 119.74 121.57 2kmn s LYS 80 Ca -0.09 -0.36 -0.28 0.00 0.00 0.00 0.00 55.97 55.24 2kmn s LYS 80 Cb -0.00 0.29 0.07 0.00 0.00 0.00 0.00 37.83 38.19 2kmn s LYS 80 CO 0.06 -0.19 0.71 -1.54 0.00 0.00 0.00 175.35 174.39 2kmn s SER 81 N -1.61 -0.69 0.11 0.03 1.04 0.88 -4.95 113.70 108.51 2kmn s SER 81 Ca -0.11 1.05 0.00 0.00 0.48 0.00 0.00 55.95 57.37 2kmn s SER 81 Cb -0.04 0.97 0.00 0.00 0.10 0.00 0.00 66.02 67.05 2kmn s SER 81 CO 0.01 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.41 2kmn n GLY 82 N 1.75 -2.11 2.89 7.32 0.00 -1.26 0.95 105.19 114.73 2kmn n GLY 82 Ca -0.16 -1.41 -0.15 0.00 0.00 0.00 0.00 46.02 44.30 2kmn n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kmn s GLU 83 N -2.30 0.19 0.30 1.61 0.41 -1.26 -1.90 118.70 115.75 2kmn s GLU 83 Ca 0.00 0.50 0.03 0.00 -0.41 0.00 0.00 54.97 55.09 2kmn s GLU 83 Cb 0.00 -0.56 -0.03 0.00 -1.78 0.00 0.00 34.13 31.76 2kmn s GLU 83 CO 0.00 -0.48 0.46 0.95 -0.49 0.00 0.00 175.26 175.70 2kmn s THR 84 N 2.40 5.15 -0.29 3.63 -4.23 0.22 -4.86 115.64 117.66 2kmn s THR 84 Ca 0.05 -0.71 -0.03 0.00 -1.18 0.00 0.00 61.69 59.81 2kmn s THR 84 Cb -0.14 -3.85 0.10 0.00 1.34 0.00 0.00 72.50 69.95 2kmn s THR 84 CO -0.11 -0.45 0.12 -0.83 -0.54 0.00 0.00 174.62 172.81 2kmn s GLY 85 N -4.01 0.63 -0.09 3.99 0.00 -1.26 -2.16 107.32 104.41 2kmn s GLY 85 Ca 0.37 -1.19 -0.10 0.00 0.00 0.00 0.00 44.72 43.80 2kmn s GLY 85 CO 0.33 1.94 0.27 -0.42 0.00 0.00 0.00 173.10 175.22 2kmn s ILE 86 N 1.98 0.01 0.36 0.90 -1.09 -1.25 -4.89 121.20 117.22 2kmn s ILE 86 Ca 0.09 -0.06 -0.26 0.00 -2.23 0.00 0.00 60.65 58.18 2kmn s ILE 86 Cb -0.16 -0.41 -0.09 0.00 -1.58 0.00 0.00 42.46 40.22 2kmn s ILE 86 CO -0.33 -0.03 1.12 -1.61 -1.23 0.00 0.00 174.94 172.86 2kmn s GLU 87 N -0.02 4.27 0.17 2.79 2.02 -1.26 -2.31 118.70 124.36 2kmn s GLU 87 Ca -0.02 1.76 -0.18 0.00 0.02 0.00 0.00 54.97 56.55 2kmn s GLU 87 Cb -0.02 -2.81 0.04 0.00 0.10 0.00 0.00 34.13 31.43 2kmn s GLU 87 CO 0.01 -0.11 0.50 -1.21 0.02 0.00 0.00 175.26 174.47 2kmn s GLU 88 N -2.08 1.28 0.28 1.61 2.02 -0.48 -4.82 118.70 116.53 2kmn s GLU 88 Ca 0.53 -0.77 0.12 0.00 0.02 0.00 0.00 54.97 54.87 2kmn s GLU 88 Cb -0.29 0.52 -0.05 0.00 0.10 0.00 0.00 34.13 34.40 2kmn s GLU 88 CO 0.37 -0.54 -0.19 0.20 0.02 0.00 0.00 175.26 175.12 2kmn s GLY 89 N -2.84 1.90 -0.07 -1.39 0.00 -1.26 -0.23 107.32 103.44 2kmn s GLY 89 Ca 0.06 -1.89 0.01 0.00 0.00 0.00 0.00 44.72 42.90 2kmn s GLY 89 CO -0.07 -1.97 -0.06 0.00 0.00 0.00 0.00 173.10 171.00 2kmn h LEU 91 N 5.28 0.11 -0.23 0.00 7.12 -1.92 0.53 115.31 126.20 2kmn h LEU 91 Ca -0.48 0.01 -0.18 0.00 0.13 0.00 0.00 57.88 57.36 2kmn h LEU 91 Cb 1.17 -0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 41.27 2kmn h LEU 91 CO 0.53 0.04 -0.84 0.28 -0.13 0.00 0.00 178.44 178.32 2kmn h SER 92 N 0.11 0.00 -3.70 1.25 0.02 -1.87 -3.45 113.55 105.91 2kmn h SER 92 Ca 0.38 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.84 2kmn h SER 92 Cb 1.36 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.87 2kmn h SER 92 CO -0.05 0.84 0.11 -0.63 -1.14 0.00 0.00 176.83 175.96 2kmn s ILE 93 N -3.00 4.63 0.00 3.27 1.01 0.19 -0.80 121.20 126.50 2kmn s ILE 93 Ca 0.01 1.07 -0.04 0.00 0.00 0.00 0.00 60.65 61.69 2kmn s ILE 93 Cb 0.11 -3.68 -0.16 0.00 0.01 0.00 0.00 42.46 38.73 2kmn s ILE 93 CO 0.79 -0.08 2.57 -0.81 0.00 0.00 0.00 174.94 177.41 2kmn n PRO 94 N -0.08 1.35 -1.00 2.79 -0.04 -1.26 -4.49 135.00 132.27 2kmn n PRO 94 Ca 0.02 -0.60 -0.00 0.00 -0.04 0.00 0.00 63.50 62.88 2kmn n PRO 94 Cb 0.53 -1.73 -0.00 0.00 -0.04 0.00 0.00 33.50 32.26 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 2.44 -0.27 -2.48 0.54 1.02 -1.26 -4.95 120.64 115.67 2kmn n GLU 95 Ca 0.26 0.09 -0.39 0.00 -0.02 0.00 0.00 57.16 57.10 2kmn n GLU 95 Cb 0.62 -3.31 -0.03 0.00 -0.02 0.00 0.00 31.44 28.70 2kmn n GLU 95 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2kmn s GLN 96 N -0.35 3.48 0.03 3.49 -1.52 -1.26 -4.87 119.66 118.65 2kmn s GLN 96 Ca 0.00 -1.14 -0.25 0.00 -1.95 0.00 0.00 55.36 52.02 2kmn s GLN 96 Cb 0.00 -5.34 -0.05 0.00 -0.22 0.00 0.00 33.01 27.40 2kmn s GLN 96 CO 0.00 -2.42 0.77 1.03 -0.25 0.00 0.00 175.29 174.42 2kmn s ARG 97 N 5.19 4.50 0.06 2.91 0.52 -1.25 -4.59 118.95 126.28 2kmn s ARG 97 Ca 0.51 1.07 0.04 0.00 -0.52 0.00 0.00 55.73 56.83 2kmn s ARG 97 Cb -0.00 -3.38 -0.03 0.00 0.52 0.00 0.00 34.95 32.06 2kmn s ARG 97 CO -0.06 0.24 -0.11 0.00 0.02 0.00 0.00 175.30 175.39 2kmn s ALA 98 N 0.09 0.93 0.17 2.13 0.00 0.68 -4.61 121.76 121.15 2kmn s ALA 98 Ca 0.39 -0.92 -0.30 0.00 0.00 0.00 0.00 51.96 51.13 2kmn s ALA 98 Cb -0.20 -0.03 -0.08 0.00 0.00 0.00 0.00 23.12 22.81 2kmn s ALA 98 CO 0.23 0.07 1.10 -1.17 0.00 0.00 0.00 175.76 176.00 2kmn s LEU 99 N -1.74 4.48 -0.01 0.00 0.20 -1.26 -1.38 118.68 118.98 2kmn s LEU 99 Ca -0.05 2.09 0.01 0.00 0.69 0.00 0.00 54.13 56.87 2kmn s LEU 99 Cb -0.09 -3.60 0.00 0.00 -0.43 0.00 0.00 46.19 42.06 2kmn s LEU 99 CO 0.01 -0.23 -0.04 -0.69 -0.29 0.00 0.00 176.35 175.11 2kmn s VAL 100 N -0.19 0.31 -0.11 1.68 1.01 -0.98 -4.85 120.40 117.28 2kmn s VAL 100 Ca 0.50 -0.14 -0.29 0.00 0.00 0.00 0.00 61.98 62.05 2kmn s VAL 100 Cb -0.29 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 35.79 2kmn s VAL 100 CO 0.35 0.10 0.99 -2.84 0.00 0.00 0.00 175.10 173.69 2kmn s PRO 101 N 0.06 4.42 0.16 2.72 0.02 -1.25 -3.83 135.00 137.29 2kmn s PRO 101 Ca -0.00 1.35 -0.05 0.00 0.02 0.00 0.00 61.00 62.32 2kmn s PRO 101 Cb -0.03 -3.54 -0.02 0.00 0.02 0.00 0.00 34.50 30.92 2kmn s PRO 101 CO -0.00 -0.30 0.18 -0.98 -0.33 0.00 0.00 177.00 175.57 2kmn s ARG 102 N 1.98 1.09 0.63 5.54 3.03 -0.92 -4.95 118.95 125.34 2kmn s ARG 102 Ca 0.47 -1.34 -0.17 0.00 2.03 0.00 0.00 55.73 56.73 2kmn s ARG 102 Cb -0.18 0.31 -0.01 0.00 -1.03 0.00 0.00 34.95 34.04 2kmn s ARG 102 CO 0.18 -0.36 1.14 0.00 -1.13 0.00 0.00 175.30 175.12 2kmn s ALA 103 N -4.03 2.49 0.06 7.88 0.00 -1.24 0.68 121.76 127.61 2kmn s ALA 103 Ca 0.23 0.71 -0.16 0.00 0.00 0.00 0.00 51.96 52.74 2kmn s ALA 103 Cb 0.05 -3.36 -0.19 0.00 0.00 0.00 0.00 23.12 19.62 2kmn s ALA 103 CO 0.03 -1.22 1.22 1.49 0.00 0.00 0.00 175.76 177.28 2kmn h GLU 104 N 0.38 0.62 -3.71 0.00 4.57 0.13 -3.41 114.58 113.15 2kmn h GLU 104 Ca -0.48 -0.56 -0.25 0.00 -1.18 0.00 0.00 59.36 56.89 2kmn h GLU 104 Cb 1.26 0.13 -0.29 0.00 -0.16 0.00 0.00 28.75 29.69 2kmn h GLU 104 CO 0.54 1.17 -0.72 0.15 -1.18 0.00 0.00 179.01 178.97 2kmn s LYS 105 N -3.56 0.02 -0.02 1.92 1.02 -0.34 -0.89 119.74 117.89 2kmn s LYS 105 Ca -0.12 0.03 -0.04 0.00 0.02 0.00 0.00 55.97 55.87 2kmn s LYS 105 Cb 0.06 -0.07 0.00 0.00 -0.52 0.00 0.00 37.83 37.31 2kmn s LYS 105 CO 0.87 -0.03 0.09 0.14 -0.92 0.00 0.00 175.35 175.50 2kmn s VAL 106 N 0.22 0.03 -0.20 3.17 -7.23 0.34 -0.08 120.40 116.65 2kmn s VAL 106 Ca -0.02 -0.25 -0.06 0.00 -1.81 0.00 0.00 61.98 59.85 2kmn s VAL 106 Cb -0.03 -0.22 -0.03 0.00 0.56 0.00 0.00 36.38 36.66 2kmn s VAL 106 CO -0.01 -0.14 0.01 -0.54 -0.31 0.00 0.00 175.10 174.12 2kmn s LYS 107 N -0.41 3.69 0.21 4.82 -0.14 0.88 0.74 119.74 129.52 2kmn s LYS 107 Ca -0.05 -0.49 0.06 0.00 -1.36 0.00 0.00 55.97 54.13 2kmn s LYS 107 Cb -0.03 -3.11 -0.05 0.00 -1.68 0.00 0.00 37.83 32.96 2kmn s LYS 107 CO 0.00 0.06 -0.09 0.96 -0.76 0.00 0.00 175.35 175.52 2kmn s ILE 108 N 0.90 1.41 -0.04 2.17 -5.25 0.12 -0.20 121.20 120.31 2kmn s ILE 108 Ca 0.02 -2.12 0.05 0.00 -0.99 0.00 0.00 60.65 57.61 2kmn s ILE 108 Cb -0.14 -2.13 -0.02 0.00 2.95 0.00 0.00 42.46 43.12 2kmn s ILE 108 CO 0.02 -0.52 -0.18 -0.13 -1.79 0.00 0.00 174.94 172.34 2kmn s ARG 109 N -3.74 2.43 0.25 0.37 0.52 0.31 0.76 118.95 119.85 2kmn s ARG 109 Ca 0.23 -0.77 -0.20 0.00 -0.52 0.00 0.00 55.73 54.47 2kmn s ARG 109 Cb 0.02 -2.28 0.03 0.00 0.52 0.00 0.00 34.95 33.24 2kmn s ARG 109 CO 0.06 0.58 0.67 0.00 0.02 0.00 0.00 175.30 176.63 2kmn s ALA 110 N -0.63 -1.17 0.15 2.13 0.00 0.15 0.34 121.76 122.73 2kmn s ALA 110 Ca 0.10 -0.24 0.08 0.00 0.00 0.00 0.00 51.96 51.89 2kmn s ALA 110 Cb -0.11 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 2kmn s ALA 110 CO 0.00 -0.97 -0.10 -0.48 0.00 0.00 0.00 175.76 174.21 2kmn s LEU 111 N -2.90 2.99 0.51 0.00 0.05 -0.84 0.15 118.68 118.63 2kmn s LEU 111 Ca 0.10 -0.50 -0.04 0.00 0.05 0.00 0.00 54.13 53.75 2kmn s LEU 111 Cb -0.05 -1.73 -0.01 0.00 -2.05 0.00 0.00 46.19 42.36 2kmn s LEU 111 CO 0.04 0.14 0.79 -0.62 -0.55 0.00 0.00 176.35 176.15 2kmn s ASP 112 N -2.54 5.92 0.59 1.48 2.15 -0.98 0.15 116.67 123.45 2kmn s ASP 112 Ca 0.23 0.68 0.25 0.00 0.43 0.00 0.00 52.55 54.15 2kmn s ASP 112 Cb -0.10 -1.88 1.38 0.00 -0.30 0.00 0.00 42.92 42.03 2kmn s ASP 112 CO 0.14 -0.77 1.76 -0.09 -0.17 0.00 0.00 175.17 176.04 2kmn h ARG 113 N 0.14 0.00 0.00 4.34 2.43 -1.93 0.45 114.38 119.81 2kmn h ARG 113 Ca -0.46 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.60 2kmn h ARG 113 Cb 1.24 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 2kmn h ARG 113 CO 0.60 0.00 -0.53 -0.44 -1.51 0.00 0.00 179.97 178.09 2kmn h ASP 114 N 0.00 0.00 0.00 -3.80 3.32 -1.95 -3.47 116.42 110.52 2kmn h ASP 114 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2kmn h ASP 114 Cb 0.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.24 2kmn h ASP 114 CO 0.00 0.53 0.00 0.61 -1.72 0.00 0.00 179.24 178.66 2kmn n GLY 115 N 1.11 1.44 2.83 2.75 0.00 0.16 -5.11 105.19 108.36 2kmn n GLY 115 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.30 1.02 -0.26 1.61 1.02 -1.25 -4.91 119.74 116.67 2kmn s LYS 116 Ca 0.00 -1.15 -0.29 0.00 0.02 0.00 0.00 55.97 54.55 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 1.43 -2.14 -0.92 0.00 0.00 175.35 172.84 2kmn s PRO 117 N 1.46 3.89 0.34 -1.68 0.02 -1.26 -2.33 135.00 135.44 2kmn s PRO 117 Ca 0.06 1.44 0.06 0.00 0.02 0.00 0.00 61.00 62.58 2kmn s PRO 117 Cb -0.18 -3.94 -0.07 0.00 0.02 0.00 0.00 34.50 30.34 2kmn s PRO 117 CO -0.17 -1.17 0.01 -0.59 -0.33 0.00 0.00 177.00 174.75 2kmn s PHE 118 N 4.65 2.16 -0.15 6.54 -0.12 0.41 -4.88 117.98 126.59 2kmn s PHE 118 Ca 0.62 -0.78 -0.04 0.00 -0.05 0.00 0.00 56.93 56.68 2kmn s PHE 118 Cb -0.20 -1.40 -0.03 0.00 -0.63 0.00 0.00 43.02 40.75 2kmn s PHE 118 CO 0.25 0.25 -0.01 -1.21 -0.05 0.00 0.00 175.22 174.44 2kmn s GLU 119 N -3.78 3.61 -0.04 1.99 2.02 -1.26 0.32 118.70 121.56 2kmn s GLU 119 Ca 0.34 -0.47 0.02 0.00 0.02 0.00 0.00 54.97 54.88 2kmn s GLU 119 Cb 0.08 -2.94 0.01 0.00 0.10 0.00 0.00 34.13 31.37 2kmn s GLU 119 CO 0.15 0.32 -0.09 -0.48 0.02 0.00 0.00 175.26 175.19 2kmn s LEU 120 N 0.16 1.70 -0.20 1.80 0.05 0.23 -4.96 118.68 117.46 2kmn s LEU 120 Ca -0.00 -0.21 -0.16 0.00 0.05 0.00 0.00 54.13 53.81 2kmn s LEU 120 Cb -0.13 -0.61 -0.04 0.00 -2.05 0.00 0.00 46.19 43.36 2kmn s LEU 120 CO 0.02 0.05 0.41 -1.83 -0.55 0.00 0.00 176.35 174.45 2kmn s GLU 121 N 0.37 4.18 -0.07 1.48 -1.05 -1.26 0.13 118.70 122.49 2kmn s GLU 121 Ca -0.06 0.22 0.04 0.00 -0.15 0.00 0.00 54.97 55.02 2kmn s GLU 121 Cb -0.11 -3.53 -0.02 0.00 -0.44 0.00 0.00 34.13 30.03 2kmn s GLU 121 CO 0.01 -0.03 -0.19 0.00 0.95 0.00 0.00 175.26 176.00 2kmn s ALA 122 N 1.28 2.41 0.27 -0.84 0.00 0.23 -4.94 121.76 120.17 2kmn s ALA 122 Ca 0.20 -1.00 0.06 0.00 0.00 0.00 0.00 51.96 51.22 2kmn s ALA 122 Cb -0.15 -0.87 -0.06 0.00 0.00 0.00 0.00 23.12 22.05 2kmn s ALA 122 CO 0.08 0.43 -0.06 -0.51 0.00 0.00 0.00 175.76 175.70 2kmn s ASP 123 N -0.27 2.65 0.54 0.00 1.11 -1.26 0.13 116.67 119.57 2kmn s ASP 123 Ca 0.01 -1.18 0.00 0.00 0.18 0.00 0.00 52.55 51.56 2kmn s ASP 123 Cb -0.13 -0.15 0.00 0.00 1.07 0.00 0.00 42.92 43.71 2kmn s ASP 123 CO 0.03 -0.34 0.00 0.61 1.18 0.00 0.00 175.17 176.64 2kmn n GLY 124 N -0.55 2.80 0.37 0.21 0.00 -0.07 -1.27 105.19 106.68 2kmn n GLY 124 Ca -0.06 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 0.62 0.13 0.99 3.38 -1.98 0.40 115.31 118.85 2kmn h LEU 125 Ca 0.00 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2kmn h LEU 125 Cb 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2kmn h LEU 125 CO 0.00 0.35 -0.06 0.25 0.09 0.00 0.00 178.44 179.06 2kmn h LEU 126 N 0.68 -0.15 -0.45 1.67 7.12 -1.54 -2.26 115.31 120.37 2kmn h LEU 126 Ca 0.40 -0.40 0.03 0.00 0.13 0.00 0.00 57.88 58.04 2kmn h LEU 126 Cb 0.60 0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 40.73 2kmn h LEU 126 CO -0.16 0.38 0.25 0.00 -0.13 0.00 0.00 178.44 178.78 2kmn h ALA 127 N -0.03 0.57 0.50 1.25 0.00 -0.70 0.86 119.26 121.71 2kmn h ALA 127 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2kmn h ALA 127 Cb 0.53 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2kmn h ALA 127 CO 0.03 -0.08 -0.24 0.82 0.00 0.00 0.00 179.25 179.78 2kmn h ILE 128 N 0.50 0.46 0.05 0.00 1.08 -0.29 -1.96 117.51 117.35 2kmn h ILE 128 Ca 0.19 -0.29 -0.00 0.00 -0.39 0.00 0.00 64.86 64.36 2kmn h ILE 128 Cb 0.05 0.57 0.00 0.00 -3.07 0.00 0.00 36.82 34.37 2kmn h ILE 128 CO -0.10 0.05 -0.02 0.00 -0.69 0.00 0.00 178.15 177.38 2kmn h ILE 130 N -0.11 1.09 -0.50 0.00 2.10 -0.90 -1.58 117.51 117.61 2kmn h ILE 130 Ca -0.01 -0.28 -0.08 0.00 1.08 0.00 0.00 64.86 65.57 2kmn h ILE 130 Cb 0.10 0.22 -0.02 0.00 -1.09 0.00 0.00 36.82 36.02 2kmn h ILE 130 CO 0.01 0.15 -0.02 0.06 -1.08 0.00 0.00 178.15 177.27 2kmn h GLN 131 N 0.81 0.85 -0.26 2.19 3.07 -1.26 -2.48 115.11 118.02 2kmn h GLN 131 Ca 0.26 -0.25 0.04 0.00 0.09 0.00 0.00 58.65 58.79 2kmn h GLN 131 Cb 0.01 -0.09 -0.04 0.00 0.08 0.00 0.00 27.48 27.45 2kmn h GLN 131 CO -0.10 0.86 0.04 1.25 0.09 0.00 0.00 178.83 180.97 2kmn h HIS 132 N 0.78 0.06 -0.39 0.06 2.76 -0.19 -1.08 115.15 117.14 2kmn h HIS 132 Ca 0.15 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.33 2kmn h HIS 132 Cb 0.50 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.46 2kmn h HIS 132 CO 0.03 0.00 0.24 0.93 -1.30 0.00 0.00 177.93 177.83 2kmn h GLU 133 N 0.13 0.54 -0.40 5.26 4.39 -1.12 0.28 114.58 123.65 2kmn h GLU 133 Ca 0.12 -0.05 0.06 0.00 0.34 0.00 0.00 59.36 59.83 2kmn h GLU 133 Cb 0.14 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.62 2kmn h GLU 133 CO -0.18 0.40 0.10 0.52 -1.16 0.00 0.00 179.01 178.70 2kmn h MET 134 N 0.52 0.23 -0.13 2.33 2.86 -1.04 0.29 114.93 119.98 2kmn h MET 134 Ca 0.14 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2kmn h MET 134 Cb 0.01 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 2kmn h MET 134 CO -0.03 0.15 0.07 -0.44 1.06 0.00 0.00 176.91 177.72 2kmn h ASP 135 N 0.24 0.17 -0.14 1.22 5.19 -0.84 -2.05 116.42 120.21 2kmn h ASP 135 Ca 0.19 -0.10 0.03 0.00 -0.62 0.00 0.00 57.03 56.52 2kmn h ASP 135 Cb 0.21 -0.04 -0.03 0.00 0.18 0.00 0.00 39.33 39.65 2kmn h ASP 135 CO -0.23 0.23 -0.03 -0.74 -3.12 0.00 0.00 179.24 175.34 2kmn h HIS 136 N 0.10 -0.07 -0.05 4.55 2.76 0.10 -0.01 115.15 122.54 2kmn h HIS 136 Ca 0.05 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 2kmn h HIS 136 Cb 0.10 0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.11 2kmn h HIS 136 CO -0.04 -0.06 0.00 1.37 -1.30 0.00 0.00 177.93 177.91 2kmn h LEU 137 N 0.00 0.06 -1.44 0.26 8.10 -0.36 0.27 115.31 122.20 2kmn h LEU 137 Ca 0.06 -0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.04 2kmn h LEU 137 Cb 0.10 -0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 40.30 2kmn h LEU 137 CO -0.14 0.07 0.01 0.55 -4.11 0.00 0.00 178.44 174.83 2kmn n VAL 138 N -4.50 0.46 -0.53 0.15 3.14 -0.78 -0.08 118.33 116.19 2kmn n VAL 138 Ca -0.02 -0.14 0.00 0.00 -2.96 0.00 0.00 64.34 61.22 2kmn n VAL 138 Cb 0.11 -0.58 0.00 0.00 -1.06 0.00 0.00 33.84 32.31 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 0.12 0.89 3.64 7.55 0.00 0.95 -4.27 105.19 114.06 2kmn n GLY 139 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.31 4.14 0.35 1.61 -2.85 -0.08 -4.03 119.74 118.57 2kmn s LYS 140 Ca 0.00 0.53 0.09 0.00 -1.00 0.00 0.00 55.97 55.59 2kmn s LYS 140 Cb 0.00 -3.63 -0.06 0.00 -2.06 0.00 0.00 37.83 32.08 2kmn s LYS 140 CO 0.00 -0.34 -0.02 -0.51 0.10 0.00 0.00 175.35 174.58 2kmn s LEU 141 N 2.27 2.89 0.28 2.77 1.02 -1.26 -1.20 118.68 125.45 2kmn s LEU 141 Ca 0.26 -1.10 0.01 0.00 0.02 0.00 0.00 54.13 53.31 2kmn s LEU 141 Cb -0.16 -1.19 0.53 0.00 0.02 0.00 0.00 46.19 45.40 2kmn s LEU 141 CO 0.09 -0.26 1.84 -0.26 0.02 0.00 0.00 176.35 177.78 2kmn h PHE 142 N 1.87 1.14 -0.23 0.29 -1.00 -1.96 -0.51 116.94 116.53 2kmn h PHE 142 Ca -0.43 0.03 0.07 0.00 2.81 0.00 0.00 57.97 60.45 2kmn h PHE 142 Cb 1.25 -0.36 -0.01 0.00 3.61 0.00 0.00 35.95 40.44 2kmn h PHE 142 CO 0.73 0.47 0.21 1.98 -1.61 0.00 0.00 178.31 180.09 2kmn h MET 143 N 1.01 0.00 -0.08 1.51 4.05 -1.96 0.40 114.93 119.86 2kmn h MET 143 Ca 0.49 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.93 2kmn h MET 143 Cb 0.45 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.24 2kmn h MET 143 CO -0.25 0.00 0.16 0.22 0.23 0.00 0.00 176.91 177.26 2kmn h ASP 144 N 0.00 0.00 -0.17 1.39 1.82 -1.49 -0.91 116.42 117.05 2kmn h ASP 144 Ca 0.11 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.75 2kmn h ASP 144 Cb 0.53 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.54 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 -3.42 0.22 -3.53 0.28 9.36 0.13 -5.01 117.16 115.19 2kmn n TYR 145 Ca -0.01 -0.25 -0.32 0.00 3.32 0.00 0.00 57.90 60.64 2kmn n TYR 145 Cb 0.25 -0.01 -0.05 0.00 -0.63 0.00 0.00 39.34 38.89 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 -0.94 4.24 0.00 2.98 1.43 -0.35 -5.04 118.68 121.00 2kmn s LEU 146 Ca 0.17 0.79 0.00 0.00 -1.03 0.00 0.00 54.13 54.06 2kmn s LEU 146 Cb 0.10 -3.43 0.00 0.00 0.03 0.00 0.00 46.19 42.89 2kmn s LEU 146 CO 0.14 0.01 0.00 -1.54 0.23 0.00 0.00 176.35 175.20