#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 2.03 0.69 2.46 1.01 -1.26 -4.29 120.40 121.05 2kmn s VAL 2 Ca 0.00 -1.09 -0.11 0.00 0.00 0.00 0.00 61.98 60.78 2kmn s VAL 2 Cb 0.00 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.69 2kmn s VAL 2 CO 0.00 0.57 1.07 -0.22 0.00 0.00 0.00 175.10 176.52 2kmn s LEU 3 N -0.48 3.02 -0.55 3.92 2.96 -1.25 -4.96 118.68 121.34 2kmn s LEU 3 Ca 0.06 1.41 -0.28 0.00 -0.22 0.00 0.00 54.13 55.10 2kmn s LEU 3 Cb -0.11 -4.27 0.02 0.00 0.50 0.00 0.00 46.19 42.33 2kmn s LEU 3 CO 0.00 -1.36 1.27 -1.58 -1.32 0.00 0.00 176.35 173.37 2kmn s GLN 4 N -5.16 3.48 -0.07 1.98 2.00 -1.26 -4.93 119.66 115.70 2kmn s GLN 4 Ca 0.58 0.41 -0.20 0.00 -2.00 0.00 0.00 55.36 54.15 2kmn s GLN 4 Cb -0.13 -4.04 -0.04 0.00 0.80 0.00 0.00 33.01 29.60 2kmn s GLN 4 CO 0.54 -1.71 0.55 0.08 -0.50 0.00 0.00 175.29 174.25 2kmn s VAL 5 N 5.27 5.07 0.16 1.34 1.01 -1.26 -3.04 120.40 128.96 2kmn s VAL 5 Ca 0.48 1.12 -0.24 0.00 0.00 0.00 0.00 61.98 63.35 2kmn s VAL 5 Cb -0.09 -3.89 -0.08 0.00 0.00 0.00 0.00 36.38 32.33 2kmn s VAL 5 CO 0.27 0.35 0.74 -0.76 0.00 0.00 0.00 175.10 175.70 2kmn s LEU 6 N 0.34 4.55 -0.01 3.92 1.43 0.17 -4.89 118.68 124.18 2kmn s LEU 6 Ca 0.29 1.56 0.06 0.00 -1.03 0.00 0.00 54.13 55.01 2kmn s LEU 6 Cb -0.17 -3.29 -0.03 0.00 0.03 0.00 0.00 46.19 42.74 2kmn s LEU 6 CO 0.14 0.19 -0.17 -1.00 0.23 0.00 0.00 176.35 175.73 2kmn s HIS 7 N -1.21 2.59 0.26 0.29 3.76 -1.26 -3.79 115.29 115.93 2kmn s HIS 7 Ca 0.36 -0.24 -0.30 0.00 -0.15 0.00 0.00 55.06 54.73 2kmn s HIS 7 Cb -0.22 -1.55 -0.11 0.00 1.11 0.00 0.00 32.58 31.82 2kmn s HIS 7 CO 0.24 0.17 1.53 0.42 -0.85 0.00 0.00 174.74 176.26 2kmn s ILE 8 N -0.78 2.35 0.36 0.60 -1.09 -0.38 -3.61 121.20 118.64 2kmn s ILE 8 Ca 0.12 0.29 -0.25 0.00 -2.23 0.00 0.00 60.65 58.58 2kmn s ILE 8 Cb -0.10 -3.18 -0.09 0.00 -1.58 0.00 0.00 42.46 37.50 2kmn s ILE 8 CO 0.02 0.04 1.01 -2.84 -1.23 0.00 0.00 174.94 171.94 2kmn s PRO 9 N -0.26 4.39 -0.29 2.79 0.02 -1.26 -4.83 135.00 135.56 2kmn s PRO 9 Ca 0.63 1.45 -0.15 0.00 0.02 0.00 0.00 61.00 62.95 2kmn s PRO 9 Cb -0.45 -2.71 0.12 0.00 0.02 0.00 0.00 34.50 31.49 2kmn s PRO 9 CO 0.44 0.08 0.82 0.34 -0.33 0.00 0.00 177.00 178.35 2kmn s ASP 10 N -1.54 -0.79 0.18 2.53 2.15 -1.24 -5.05 116.67 112.92 2kmn s ASP 10 Ca 0.53 1.19 -0.14 0.00 0.43 0.00 0.00 52.55 54.57 2kmn s ASP 10 Cb -0.21 1.55 0.11 0.00 -0.30 0.00 0.00 42.92 44.07 2kmn s ASP 10 CO 0.27 -0.18 1.80 1.05 -0.17 0.00 0.00 175.17 177.94 2kmn h GLU 11 N 6.98 0.55 -0.14 4.34 9.09 -1.95 -1.97 114.58 131.48 2kmn h GLU 11 Ca -0.25 -0.03 0.04 0.00 0.05 0.00 0.00 59.36 59.17 2kmn h GLU 11 Cb 1.17 -0.12 -0.01 0.00 -1.65 0.00 0.00 28.75 28.15 2kmn h GLU 11 CO 0.15 0.36 0.13 0.00 0.05 0.00 0.00 179.01 179.70 2kmn h ARG 12 N 0.57 0.00 0.01 1.06 2.47 -1.93 0.99 114.38 117.55 2kmn h ARG 12 Ca 0.21 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.73 2kmn h ARG 12 Cb 0.06 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.36 2kmn h ARG 12 CO -0.11 0.00 -0.92 -0.07 0.56 0.00 0.00 179.97 179.42 2kmn h LEU 13 N 0.00 0.12 -2.14 3.04 3.38 -1.56 -2.68 115.31 115.47 2kmn h LEU 13 Ca 0.07 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2kmn h LEU 13 Cb 0.32 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2kmn h LEU 13 CO -0.00 0.97 0.00 0.54 0.09 0.00 0.00 178.44 180.04 2kmn n ARG 14 N -3.53 2.34 -3.46 1.13 5.12 0.04 -3.43 116.66 114.87 2kmn n ARG 14 Ca -0.02 -2.09 -0.34 0.00 -1.93 0.00 0.00 57.85 53.47 2kmn n ARG 14 Cb 0.86 -1.45 -0.05 0.00 -1.16 0.00 0.00 32.46 30.65 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 -1.22 3.84 -0.83 5.56 2.20 0.32 -4.34 119.74 125.27 2kmn s LYS 15 Ca 0.39 0.30 -0.23 0.00 -0.36 0.00 0.00 55.97 56.07 2kmn s LYS 15 Cb 0.20 -2.88 0.07 0.00 -1.51 0.00 0.00 37.83 33.71 2kmn s LYS 15 CO 0.26 0.47 1.21 0.08 -0.36 0.00 0.00 175.35 177.01 2kmn s VAL 16 N -1.53 4.14 0.56 4.02 1.01 -1.24 -0.73 120.40 126.63 2kmn s VAL 16 Ca 0.39 -0.52 -0.20 0.00 0.00 0.00 0.00 61.98 61.65 2kmn s VAL 16 Cb -0.14 -4.87 -0.06 0.00 0.00 0.00 0.00 36.38 31.32 2kmn s VAL 16 CO 0.20 -1.70 0.99 0.00 0.00 0.00 0.00 175.10 174.58 2kmn n ALA 17 N 8.21 0.24 -2.81 5.51 0.00 -0.66 -4.93 120.51 126.08 2kmn n ALA 17 Ca 0.14 0.06 -0.35 0.00 0.00 0.00 0.00 53.44 53.28 2kmn n ALA 17 Cb 0.49 -2.11 -0.10 0.00 0.00 0.00 0.00 19.45 17.73 2kmn n ALA 17 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2kmn s LYS 18 N -2.60 3.99 -0.31 0.00 2.20 -1.26 -4.36 119.74 117.41 2kmn s LYS 18 Ca 0.73 -0.33 -0.29 0.00 -0.36 0.00 0.00 55.97 55.72 2kmn s LYS 18 Cb -0.44 -3.25 0.02 0.00 -1.51 0.00 0.00 37.83 32.64 2kmn s LYS 18 CO 0.49 0.25 1.09 -1.25 -0.36 0.00 0.00 175.35 175.58 2kmn s PRO 19 N 0.43 4.06 0.41 4.03 0.04 -1.26 -0.70 135.00 142.01 2kmn s PRO 19 Ca 0.04 1.10 -0.25 0.00 0.04 0.00 0.00 61.00 61.93 2kmn s PRO 19 Cb -0.12 -3.74 -0.08 0.00 0.04 0.00 0.00 34.50 30.59 2kmn s PRO 19 CO 0.00 -0.91 1.15 0.08 0.04 0.00 0.00 177.00 177.36 2kmn s VAL 20 N 3.69 3.25 0.18 -0.36 1.01 -1.26 -4.93 120.40 121.98 2kmn s VAL 20 Ca 0.46 1.02 0.32 0.00 0.00 0.00 0.00 61.98 63.78 2kmn s VAL 20 Cb -0.13 -3.56 0.36 0.00 0.00 0.00 0.00 36.38 33.06 2kmn s VAL 20 CO 0.16 0.06 2.00 -0.33 0.00 0.00 0.00 175.10 176.99 2kmn h GLU 21 N 2.54 0.00 -2.07 2.72 5.08 -2.01 -3.45 114.58 117.39 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 1.23 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.27 2kmn h GLU 21 CO 0.62 0.05 0.11 -2.00 -1.00 0.00 0.00 179.01 176.79 2kmn s GLU 22 N -3.75 0.85 -0.58 2.33 2.12 -1.26 -5.12 118.70 113.29 2kmn s GLU 22 Ca 0.00 0.81 -0.28 0.00 0.36 0.00 0.00 54.97 55.87 2kmn s GLU 22 Cb 0.10 0.41 0.03 0.00 0.26 0.00 0.00 34.13 34.93 2kmn s GLU 22 CO 0.55 -0.14 1.18 0.08 -0.54 0.00 0.00 175.26 176.39 2kmn s VAL 23 N 0.05 4.04 0.42 3.70 1.01 -1.26 -5.01 120.40 123.35 2kmn s VAL 23 Ca -0.02 0.85 -0.04 0.00 0.00 0.00 0.00 61.98 62.76 2kmn s VAL 23 Cb -0.04 -4.72 -0.04 0.00 0.00 0.00 0.00 36.38 31.58 2kmn s VAL 23 CO 0.03 -1.33 0.71 0.20 0.00 0.00 0.00 175.10 174.70 2kmn s ASN 24 N 2.96 6.31 0.52 3.32 0.01 -1.26 -4.86 114.94 121.94 2kmn s ASN 24 Ca 0.42 0.81 0.25 0.00 -0.71 0.00 0.00 52.86 53.63 2kmn s ASN 24 Cb -0.08 -2.19 1.37 0.00 0.41 0.00 0.00 41.25 40.75 2kmn s ASN 24 CO 0.25 -0.46 1.97 0.00 -1.51 0.00 0.00 177.10 177.35 2kmn h ALA 25 N 0.57 2.50 -0.25 0.60 0.00 -1.99 0.76 119.26 121.45 2kmn h ALA 25 Ca -0.48 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.22 2kmn h ALA 25 Cb 1.21 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2kmn h ALA 25 CO 0.62 -0.67 -0.60 0.93 0.00 0.00 0.00 179.25 179.53 2kmn h GLU 26 N 0.05 0.84 -0.19 0.00 4.39 -1.99 -2.12 114.58 115.56 2kmn h GLU 26 Ca 0.29 -0.57 -0.01 0.00 0.34 0.00 0.00 59.36 59.41 2kmn h GLU 26 Cb 1.08 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.80 2kmn h GLU 26 CO -0.02 1.20 0.07 0.82 -1.16 0.00 0.00 179.01 179.92 2kmn h ILE 27 N 0.63 1.17 -0.98 3.13 2.04 -0.06 -2.14 117.51 121.30 2kmn h ILE 27 Ca -0.00 -0.53 0.05 0.00 1.00 0.00 0.00 64.86 65.39 2kmn h ILE 27 Cb 1.22 1.17 -0.06 0.00 -0.74 0.00 0.00 36.82 38.40 2kmn h ILE 27 CO 0.13 0.17 0.63 1.56 0.00 0.00 0.00 178.15 180.64 2kmn h GLN 28 N 0.14 1.15 -0.96 2.37 4.20 -0.30 -0.56 115.11 121.14 2kmn h GLN 28 Ca 0.06 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.72 2kmn h GLN 28 Cb 0.20 -0.26 -0.05 0.00 0.30 0.00 0.00 27.48 27.67 2kmn h GLN 28 CO -0.00 0.76 0.64 0.00 -0.67 0.00 0.00 178.83 179.55 2kmn h ARG 29 N 1.18 1.26 -0.07 1.46 2.47 -1.12 0.50 114.38 120.06 2kmn h ARG 29 Ca 0.41 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 59.06 2kmn h ARG 29 Cb 0.10 -0.28 -0.01 0.00 -1.65 0.00 0.00 29.97 28.13 2kmn h ARG 29 CO -0.15 0.83 0.03 0.82 0.56 0.00 0.00 179.97 182.06 2kmn h ILE 30 N 1.30 1.00 -0.45 2.04 2.04 -0.46 -2.20 117.51 120.78 2kmn h ILE 30 Ca 0.36 -0.02 -0.09 0.00 1.00 0.00 0.00 64.86 66.11 2kmn h ILE 30 Cb -0.13 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 2kmn h ILE 30 CO -0.08 0.01 -0.05 0.58 0.00 0.00 0.00 178.15 178.61 2kmn h VAL 31 N 0.07 1.27 -0.71 1.67 2.07 -0.94 -0.57 116.25 119.11 2kmn h VAL 31 Ca 0.03 -1.14 0.08 0.00 0.82 0.00 0.00 66.70 66.49 2kmn h VAL 31 Cb 0.01 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 30.80 2kmn h VAL 31 CO -0.02 0.39 0.37 0.44 0.02 0.00 0.00 177.57 178.76 2kmn h ASP 32 N 0.67 0.50 0.70 0.57 5.19 -0.78 0.23 116.42 123.50 2kmn h ASP 32 Ca 0.12 0.05 -0.17 0.00 -0.62 0.00 0.00 57.03 56.41 2kmn h ASP 32 Cb 0.57 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.02 2kmn h ASP 32 CO 0.03 0.30 -0.78 0.44 -3.12 0.00 0.00 179.24 176.11 2kmn h ASP 33 N 0.64 0.08 -0.30 6.45 5.19 -1.33 -2.58 116.42 124.56 2kmn h ASP 33 Ca 0.34 -0.06 0.01 0.00 -0.62 0.00 0.00 57.03 56.70 2kmn h ASP 33 Cb 0.31 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.78 2kmn h ASP 33 CO -0.24 0.83 0.18 0.24 -3.12 0.00 0.00 179.24 177.13 2kmn h MET 34 N 0.04 0.36 -0.26 3.56 2.86 0.67 0.84 114.93 123.00 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 1.38 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.95 2kmn h MET 34 CO 0.11 0.24 -0.18 0.27 1.06 0.00 0.00 176.91 178.40 2kmn h PHE 35 N 0.37 0.69 -0.99 -0.22 -5.15 -1.33 0.10 116.94 110.42 2kmn h PHE 35 Ca 0.11 -0.19 0.17 0.00 -0.20 0.00 0.00 57.97 57.87 2kmn h PHE 35 Cb -0.02 -0.15 -0.10 0.00 0.22 0.00 0.00 35.95 35.90 2kmn h PHE 35 CO -0.07 0.87 0.59 0.93 -2.00 0.00 0.00 178.31 178.64 2kmn h GLU 36 N 0.31 0.76 0.44 6.09 5.08 -1.00 0.20 114.58 126.48 2kmn h GLU 36 Ca 0.05 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2kmn h GLU 36 Cb 0.72 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2kmn h GLU 36 CO 0.05 0.51 -0.21 1.15 -1.00 0.00 0.00 179.01 179.50 2kmn h THR 37 N 0.79 0.00 -0.88 1.13 2.02 0.10 -2.14 112.91 113.93 2kmn h THR 37 Ca 0.55 -0.42 0.23 0.00 0.77 0.00 0.00 66.41 67.55 2kmn h THR 37 Cb 0.81 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.08 2kmn h THR 37 CO -0.36 0.00 0.29 -0.03 0.37 0.00 0.00 175.52 175.79 2kmn h MET 38 N -1.02 0.26 -0.33 6.66 -1.53 0.35 1.15 114.93 120.47 2kmn h MET 38 Ca -0.06 -0.02 -0.13 0.00 -3.44 0.00 0.00 59.70 56.05 2kmn h MET 38 Cb 0.46 -0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 31.44 2kmn h MET 38 CO 0.10 0.17 -0.31 1.88 0.14 0.00 0.00 176.91 178.89 2kmn h TYR 39 N 0.26 0.96 0.00 1.39 -1.99 -0.75 0.52 116.97 117.35 2kmn h TYR 39 Ca 0.56 -0.28 -0.00 0.00 2.00 0.00 0.00 58.73 61.01 2kmn h TYR 39 Cb 1.12 -0.20 -0.00 0.00 2.00 0.00 0.00 36.73 39.65 2kmn h TYR 39 CO -0.22 1.06 -0.01 0.00 -0.00 0.00 0.00 178.16 178.99 2kmn h ALA 40 N 0.74 1.85 0.00 3.88 0.00 0.17 1.07 119.26 126.96 2kmn h ALA 40 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2kmn h ALA 40 Cb 0.89 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2kmn h ALA 40 CO 0.08 0.01 -0.24 -1.91 0.00 0.00 0.00 179.25 177.19 2kmn n GLU 41 N -4.33 0.00 -2.04 0.00 4.07 0.25 -4.90 120.64 113.70 2kmn n GLU 41 Ca -0.03 0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 56.88 2kmn n GLU 41 Cb 0.10 -1.50 -0.04 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 -1.51 -1.43 -2.77 5.31 1.02 0.37 -4.96 120.64 116.67 2kmn n GLU 42 Ca 0.06 1.02 -0.38 0.00 -0.02 0.00 0.00 57.16 57.84 2kmn n GLU 42 Cb 0.34 -5.47 -0.06 0.00 -0.02 0.00 0.00 31.44 26.23 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 -2.40 2.89 0.00 0.62 0.00 0.16 -4.94 107.32 103.65 2kmn s GLY 43 Ca 0.00 0.56 0.30 0.00 0.00 0.00 0.00 44.72 45.58 2kmn s GLY 43 CO 0.00 1.04 2.12 1.39 0.00 0.00 0.00 173.10 177.65 2kmn n ILE 44 N 0.82 0.01 0.00 0.90 5.41 -1.26 -4.42 119.36 120.81 2kmn n ILE 44 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.76 2kmn n ILE 44 Cb 0.49 -0.53 0.00 0.00 -0.71 0.00 0.00 39.64 38.89 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 0.93 1.16 3.12 7.39 0.00 -1.26 0.26 105.19 116.80 2kmn n GLY 45 Ca 0.22 0.21 -0.26 0.00 0.00 0.00 0.00 46.02 46.19 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 1.91 -0.19 0.99 2.96 0.03 -4.94 118.68 119.44 2kmn s LEU 46 Ca 0.00 -0.34 -0.10 0.00 -0.22 0.00 0.00 54.13 53.47 2kmn s LEU 46 Cb 0.00 -0.94 -0.05 0.00 0.50 0.00 0.00 46.19 45.71 2kmn s LEU 46 CO 0.00 0.15 0.14 0.00 -1.32 0.00 0.00 176.35 175.32 2kmn s ALA 47 N 0.04 3.70 0.10 5.97 0.00 -1.26 -1.49 121.76 128.81 2kmn s ALA 47 Ca -0.04 -0.67 -0.11 0.00 0.00 0.00 0.00 51.96 51.15 2kmn s ALA 47 Cb -0.11 -2.17 0.07 0.00 0.00 0.00 0.00 23.12 20.90 2kmn s ALA 47 CO 0.02 0.19 0.75 0.00 0.00 0.00 0.00 175.76 176.72 2kmn n ALA 48 N 3.41 -0.15 -0.22 0.00 0.00 0.14 0.11 120.51 123.81 2kmn n ALA 48 Ca -0.16 0.46 0.17 0.00 0.00 0.00 0.00 53.44 53.91 2kmn n ALA 48 Cb 0.52 -0.17 0.49 0.00 0.00 0.00 0.00 19.45 20.30 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 -0.50 0.00 1.35 -1.74 0.33 112.91 113.09 2kmn h THR 49 Ca 0.14 -0.16 -0.09 0.00 -0.55 0.00 0.00 66.41 65.75 2kmn h THR 49 Cb 0.26 0.25 -0.02 0.00 -1.73 0.00 0.00 68.15 66.91 2kmn h THR 49 CO -0.47 0.08 -0.05 1.56 -0.25 0.00 0.00 175.52 176.39 2kmn h GLN 50 N 0.45 0.88 -0.58 4.72 4.20 0.43 -2.11 115.11 123.11 2kmn h GLN 50 Ca 0.43 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2kmn h GLN 50 Cb 0.98 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.68 2kmn h GLN 50 CO -0.16 0.91 0.00 1.33 -0.67 0.00 0.00 178.83 180.24 2kmn n VAL 51 N -4.18 0.74 -2.25 -0.54 0.24 0.10 0.44 118.33 112.89 2kmn n VAL 51 Ca 0.02 -0.46 -0.04 0.00 -2.04 0.00 0.00 64.34 61.82 2kmn n VAL 51 Cb 0.35 -0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.59 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 0.28 -2.12 -3.92 -1.34 2.03 -0.79 -4.14 116.55 106.56 2kmn n ASP 52 Ca 0.10 -0.03 -0.30 0.00 0.52 0.00 0.00 54.79 55.08 2kmn n ASP 52 Cb 0.44 -1.28 -0.16 0.00 -0.72 0.00 0.00 41.12 39.40 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 -2.43 1.38 -1.21 5.18 -5.25 -0.38 -4.98 121.20 113.51 2kmn s ILE 53 Ca 0.03 -1.05 -0.13 0.00 -0.99 0.00 0.00 60.65 58.51 2kmn s ILE 53 Cb -0.01 -1.64 -0.06 0.00 2.95 0.00 0.00 42.46 43.69 2kmn s ILE 53 CO 0.04 -0.06 2.32 0.00 -1.79 0.00 0.00 174.94 175.45 2kmn n HIS 54 N 4.74 2.31 -3.68 1.37 1.44 -1.26 -2.78 115.22 117.37 2kmn n HIS 54 Ca -0.12 -2.48 -0.11 0.00 -2.01 0.00 0.00 57.72 53.00 2kmn n HIS 54 Cb 0.45 -2.12 -0.09 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 3.40 0.59 -0.57 -1.40 -1.52 -1.26 -4.06 119.66 114.84 2kmn s GLN 55 Ca 0.53 0.89 -0.26 0.00 -1.95 0.00 0.00 55.36 54.57 2kmn s GLN 55 Cb 0.14 0.18 -0.24 0.00 -0.22 0.00 0.00 33.01 32.87 2kmn s GLN 55 CO -0.02 -0.12 1.82 0.54 -0.25 0.00 0.00 175.29 177.27 2kmn n ARG 56 N 3.57 0.80 -4.18 2.91 1.74 0.12 -4.49 116.66 117.13 2kmn n ARG 56 Ca -0.18 -1.60 -0.34 0.00 -0.77 0.00 0.00 57.85 54.96 2kmn n ARG 56 Cb 0.57 -2.98 -0.14 0.00 -1.02 0.00 0.00 32.46 28.88 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 7.91 3.12 0.04 0.55 -1.09 -1.26 0.11 121.20 130.59 2kmn s ILE 57 Ca 0.66 -0.59 0.06 0.00 -2.23 0.00 0.00 60.65 58.55 2kmn s ILE 57 Cb 0.11 -2.38 -0.02 0.00 -1.58 0.00 0.00 42.46 38.58 2kmn s ILE 57 CO 0.21 0.47 -0.18 0.27 -1.23 0.00 0.00 174.94 174.49 2kmn s ILE 58 N 1.11 1.42 -0.02 2.92 -5.25 0.06 0.28 121.20 121.72 2kmn s ILE 58 Ca 0.01 -1.13 0.05 0.00 -0.99 0.00 0.00 60.65 58.59 2kmn s ILE 58 Cb -0.14 -1.26 -0.01 0.00 2.95 0.00 0.00 42.46 44.00 2kmn s ILE 58 CO -0.02 0.10 -0.16 0.68 -1.79 0.00 0.00 174.94 173.75 2kmn s VAL 59 N -0.84 1.28 0.16 8.37 -7.23 -0.56 -0.23 120.40 121.35 2kmn s VAL 59 Ca 0.05 -0.67 0.09 0.00 -1.81 0.00 0.00 61.98 59.64 2kmn s VAL 59 Cb -0.08 -1.08 -0.04 0.00 0.56 0.00 0.00 36.38 35.73 2kmn s VAL 59 CO 0.02 0.37 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.40 2kmn s ILE 60 N -0.22 2.94 -0.12 -0.62 -1.09 0.25 -0.79 121.20 121.55 2kmn s ILE 60 Ca 0.03 -1.65 0.19 0.00 -2.23 0.00 0.00 60.65 56.99 2kmn s ILE 60 Cb -0.08 -2.41 0.37 0.00 -1.58 0.00 0.00 42.46 38.76 2kmn s ILE 60 CO 0.00 -0.03 1.17 -0.67 -1.23 0.00 0.00 174.94 174.18 2kmn n ASP 61 N 0.36 0.49 -4.51 3.58 2.03 0.73 -1.45 116.55 117.79 2kmn n ASP 61 Ca -0.13 -2.03 -0.42 0.00 0.52 0.00 0.00 54.79 52.72 2kmn n ASP 61 Cb 0.54 -0.12 -0.08 0.00 -0.72 0.00 0.00 41.12 40.74 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 -1.07 5.05 0.00 5.18 1.01 -0.83 -4.53 120.40 125.21 2kmn s VAL 62 Ca 0.23 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.06 2kmn s VAL 62 Cb 0.31 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2kmn s VAL 62 CO -0.10 -0.38 0.81 -1.54 0.00 0.00 0.00 175.10 173.89 2kmn n SER 63 N 5.68 -1.62 0.00 3.32 3.41 -1.26 -4.66 113.62 118.49 2kmn n SER 63 Ca -0.06 -1.10 0.05 0.00 -0.26 0.00 0.00 58.87 57.50 2kmn n SER 63 Cb 0.48 -0.42 0.22 0.00 -0.26 0.00 0.00 64.21 64.23 2kmn n SER 63 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2kmn n GLU 64 N 3.90 0.01 0.00 4.33 2.13 -1.26 -4.73 120.64 125.02 2kmn n GLU 64 Ca 0.00 0.32 0.00 0.00 0.66 0.00 0.00 57.16 58.14 2kmn n GLU 64 Cb 0.40 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.61 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 -1.49 0.00 0.00 4.31 2.85 -1.26 -5.05 115.26 114.62 2kmn n ASN 65 Ca 0.03 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.50 2kmn n ASN 65 Cb 0.12 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.14 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 -0.43 0.00 -4.86 1.20 5.12 -1.26 -5.05 116.66 111.37 2kmn n ARG 66 Ca 0.00 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.59 2kmn n ARG 66 Cb 0.00 -0.52 -0.14 0.00 -1.16 0.00 0.00 32.46 30.64 2kmn n ARG 66 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2kmn s ASP 67 N -4.84 3.94 0.01 0.55 1.01 -1.26 -4.99 116.67 111.08 2kmn s ASP 67 Ca 0.00 -0.30 -0.26 0.00 0.71 0.00 0.00 52.55 52.70 2kmn s ASP 67 Cb 0.00 -1.31 -0.05 0.00 1.01 0.00 0.00 42.92 42.58 2kmn s ASP 67 CO 0.00 0.23 0.80 -1.61 0.21 0.00 0.00 175.17 174.80 2kmn s GLU 68 N -0.04 4.50 -0.34 8.23 8.01 -1.26 -4.62 118.70 133.17 2kmn s GLU 68 Ca -0.03 1.10 0.03 0.00 0.01 0.00 0.00 54.97 56.08 2kmn s GLU 68 Cb -0.14 -3.40 0.32 0.00 -4.31 0.00 0.00 34.13 26.59 2kmn s GLU 68 CO 0.04 0.17 1.34 -2.13 0.01 0.00 0.00 175.26 174.68 2kmn n ARG 69 N 3.24 0.25 -4.14 1.61 0.63 -1.26 -4.97 116.66 112.01 2kmn n ARG 69 Ca -0.00 -0.85 -0.35 0.00 -0.92 0.00 0.00 57.85 55.73 2kmn n ARG 69 Cb 0.51 -0.28 -0.10 0.00 0.45 0.00 0.00 32.46 33.03 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 -1.08 3.73 -0.03 6.15 1.43 -0.53 -5.00 118.68 123.35 2kmn s LEU 70 Ca 0.22 0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 2kmn s LEU 70 Cb 0.28 -1.91 0.01 0.00 0.03 0.00 0.00 46.19 44.60 2kmn s LEU 70 CO -0.17 0.25 -0.05 0.54 0.23 0.00 0.00 176.35 177.15 2kmn s VAL 71 N -0.09 0.50 -0.02 -1.59 0.11 -1.26 0.85 120.40 118.90 2kmn s VAL 71 Ca 0.06 -0.16 -0.02 0.00 -2.93 0.00 0.00 61.98 58.93 2kmn s VAL 71 Cb -0.12 -0.50 0.00 0.00 -1.53 0.00 0.00 36.38 34.23 2kmn s VAL 71 CO 0.01 0.19 0.06 -0.76 -3.33 0.00 0.00 175.10 171.28 2kmn s LEU 72 N 0.57 1.79 -0.08 2.54 1.43 0.68 -4.37 118.68 121.25 2kmn s LEU 72 Ca -0.07 0.03 0.04 0.00 -1.03 0.00 0.00 54.13 53.10 2kmn s LEU 72 Cb -0.11 0.25 -0.01 0.00 0.03 0.00 0.00 46.19 46.35 2kmn s LEU 72 CO -0.00 -0.08 -0.21 -0.63 0.23 0.00 0.00 176.35 175.65 2kmn s ILE 73 N -0.25 2.35 -1.70 -0.59 1.09 0.42 -0.76 121.20 121.76 2kmn s ILE 73 Ca -0.03 -0.95 -0.18 0.00 -1.10 0.00 0.00 60.65 58.39 2kmn s ILE 73 Cb -0.02 -1.90 0.15 0.00 -1.06 0.00 0.00 42.46 39.64 2kmn s ILE 73 CO 0.00 0.56 0.75 -0.46 -0.10 0.00 0.00 174.94 175.70 2kmn n ASN 74 N 3.06 -3.03 -4.60 3.58 0.23 0.31 -2.15 115.26 112.65 2kmn n ASN 74 Ca -0.18 -1.03 -0.34 0.00 -0.53 0.00 0.00 54.58 52.50 2kmn n ASN 74 Cb 0.52 -2.69 0.11 0.00 -2.08 0.00 0.00 39.78 35.64 2kmn n ASN 74 CO 0.00 0.00 0.00 -2.65 -0.93 0.00 0.00 177.26 173.68 2kmn n PRO 75 N -4.37 0.21 -4.03 -0.53 -0.02 -1.25 -4.82 135.00 120.20 2kmn n PRO 75 Ca 0.06 0.14 -0.13 0.00 -2.02 0.00 0.00 63.50 61.54 2kmn n PRO 75 Cb 0.50 -2.22 -0.13 0.00 -0.02 0.00 0.00 33.50 31.63 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 -3.66 0.31 0.08 -0.52 -1.05 0.24 -4.94 118.70 109.15 2kmn s GLU 76 Ca 0.70 -0.32 -0.29 0.00 -0.15 0.00 0.00 54.97 54.91 2kmn s GLU 76 Cb -0.30 -0.18 -0.05 0.00 -0.44 0.00 0.00 34.13 33.15 2kmn s GLU 76 CO 0.54 0.04 0.91 -1.17 0.95 0.00 0.00 175.26 176.53 2kmn s LEU 77 N -0.61 4.47 -0.14 1.83 0.20 -1.26 -0.29 118.68 122.88 2kmn s LEU 77 Ca -0.04 1.68 0.02 0.00 0.69 0.00 0.00 54.13 56.48 2kmn s LEU 77 Cb -0.04 -3.49 -0.10 0.00 -0.43 0.00 0.00 46.19 42.13 2kmn s LEU 77 CO -0.00 -0.07 -0.10 0.18 -0.29 0.00 0.00 176.35 176.06 2kmn n LEU 78 N 2.95 2.64 -3.47 -0.68 4.32 0.93 -4.92 117.00 118.78 2kmn n LEU 78 Ca 0.02 -0.07 -0.14 0.00 -0.02 0.00 0.00 56.01 55.79 2kmn n LEU 78 Cb 0.50 -0.40 -0.04 0.00 -1.62 0.00 0.00 43.42 41.86 2kmn n LEU 78 CO 0.50 0.68 0.43 -0.70 -1.22 0.00 0.00 177.39 177.08 2kmn s GLU 79 N -2.28 1.17 0.01 3.23 2.12 -0.60 -4.92 118.70 117.44 2kmn s GLU 79 Ca -0.17 -0.15 -0.12 0.00 0.36 0.00 0.00 54.97 54.88 2kmn s GLU 79 Cb 0.05 0.54 0.02 0.00 0.26 0.00 0.00 34.13 34.99 2kmn s GLU 79 CO 0.34 -0.45 0.26 -1.59 -0.54 0.00 0.00 175.26 173.27 2kmn s LYS 80 N -2.62 0.66 -0.19 4.30 -2.85 -1.26 -0.58 119.74 117.20 2kmn s LYS 80 Ca -0.04 -0.35 -0.27 0.00 -1.00 0.00 0.00 55.97 54.31 2kmn s LYS 80 Cb -0.01 0.29 0.07 0.00 -2.06 0.00 0.00 37.83 36.12 2kmn s LYS 80 CO -0.03 -0.19 0.71 -1.12 0.10 0.00 0.00 175.35 174.82 2kmn s SER 81 N -1.58 -0.72 0.00 0.03 0.01 0.70 -4.95 113.70 107.19 2kmn s SER 81 Ca -0.11 1.19 0.00 0.00 1.31 0.00 0.00 55.95 58.34 2kmn s SER 81 Cb -0.04 1.14 0.00 0.00 0.21 0.00 0.00 66.02 67.33 2kmn s SER 81 CO 0.01 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 173.90 2kmn n GLY 82 N 2.07 -2.14 2.85 3.44 0.00 -1.26 1.00 105.19 111.14 2kmn n GLY 82 Ca -0.16 -1.49 -0.28 0.00 0.00 0.00 0.00 46.02 44.10 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 -3.03 1.19 0.24 1.61 2.02 -1.26 -1.53 118.70 117.94 2kmn s GLU 83 Ca 0.00 -0.48 0.07 0.00 0.02 0.00 0.00 54.97 54.59 2kmn s GLU 83 Cb 0.00 -1.98 -0.04 0.00 0.10 0.00 0.00 34.13 32.21 2kmn s GLU 83 CO 0.00 -0.48 0.13 0.95 0.02 0.00 0.00 175.26 175.88 2kmn s THR 84 N 1.70 4.18 -0.25 3.63 -4.23 0.16 -4.87 115.64 115.96 2kmn s THR 84 Ca 0.00 -1.50 -0.04 0.00 -1.18 0.00 0.00 61.69 58.97 2kmn s THR 84 Cb -0.16 -3.24 0.09 0.00 1.34 0.00 0.00 72.50 70.53 2kmn s THR 84 CO -0.07 -0.32 0.12 -0.83 -0.54 0.00 0.00 174.62 172.97 2kmn s GLY 85 N -3.70 0.44 -0.07 3.99 0.00 -1.26 -1.97 107.32 104.75 2kmn s GLY 85 Ca 0.32 -0.81 -0.05 0.00 0.00 0.00 0.00 44.72 44.18 2kmn s GLY 85 CO 0.23 1.96 0.17 -0.42 0.00 0.00 0.00 173.10 175.05 2kmn s ILE 86 N 2.12 -0.02 0.38 0.90 -1.09 -1.25 -4.91 121.20 117.33 2kmn s ILE 86 Ca 0.07 0.07 -0.26 0.00 -2.23 0.00 0.00 60.65 58.30 2kmn s ILE 86 Cb -0.16 -0.26 -0.09 0.00 -1.58 0.00 0.00 42.46 40.37 2kmn s ILE 86 CO -0.27 0.03 1.13 -1.61 -1.23 0.00 0.00 174.94 172.99 2kmn s GLU 87 N 0.55 4.20 0.19 2.79 2.02 -1.26 -2.35 118.70 124.84 2kmn s GLU 87 Ca -0.04 1.76 -0.18 0.00 0.02 0.00 0.00 54.97 56.54 2kmn s GLU 87 Cb -0.05 -2.75 0.03 0.00 0.10 0.00 0.00 34.13 31.46 2kmn s GLU 87 CO -0.03 -0.17 0.52 -1.21 0.02 0.00 0.00 175.26 174.39 2kmn s GLU 88 N -2.17 1.35 0.32 1.61 2.02 -0.67 -4.85 118.70 116.31 2kmn s GLU 88 Ca 0.55 -0.84 0.10 0.00 0.02 0.00 0.00 54.97 54.80 2kmn s GLU 88 Cb -0.29 0.52 -0.06 0.00 0.10 0.00 0.00 34.13 34.40 2kmn s GLU 88 CO 0.37 -0.57 -0.09 0.20 0.02 0.00 0.00 175.26 175.18 2kmn s GLY 89 N -2.86 2.05 -0.08 -1.39 0.00 -1.26 -0.24 107.32 103.54 2kmn s GLY 89 Ca 0.08 -1.98 0.01 0.00 0.00 0.00 0.00 44.72 42.84 2kmn s GLY 89 CO -0.04 -1.97 -0.09 0.00 0.00 0.00 0.00 173.10 171.00 2kmn h LEU 91 N 5.59 0.26 -0.25 0.00 7.12 -1.92 0.66 115.31 126.78 2kmn h LEU 91 Ca -0.44 0.04 -0.18 0.00 0.13 0.00 0.00 57.88 57.43 2kmn h LEU 91 Cb 1.17 -0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.27 2kmn h LEU 91 CO 0.53 0.07 -0.88 0.28 -0.13 0.00 0.00 178.44 178.32 2kmn h SER 92 N 0.24 0.00 -3.67 1.25 0.02 -1.87 -3.45 113.55 106.07 2kmn h SER 92 Ca 0.52 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.97 2kmn h SER 92 Cb 1.60 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 64.12 2kmn h SER 92 CO -0.15 0.88 0.09 -0.63 -1.14 0.00 0.00 176.83 175.88 2kmn s ILE 93 N -3.00 4.65 0.00 3.27 1.01 0.23 -1.25 121.20 126.11 2kmn s ILE 93 Ca 0.00 1.03 -0.04 0.00 0.00 0.00 0.00 60.65 61.65 2kmn s ILE 93 Cb 0.11 -3.68 -0.16 0.00 0.01 0.00 0.00 42.46 38.74 2kmn s ILE 93 CO 0.80 -0.07 2.61 -0.81 0.00 0.00 0.00 174.94 177.48 2kmn n PRO 94 N -0.04 1.37 -1.00 2.79 -0.04 -1.26 -4.50 135.00 132.32 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 -1.71 -0.00 0.00 -0.04 0.00 0.00 33.50 32.28 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 2.38 -0.06 -2.47 0.54 4.71 -1.26 -4.96 120.64 119.52 2kmn n GLU 95 Ca 0.26 0.02 -0.39 0.00 -0.01 0.00 0.00 57.16 57.04 2kmn n GLU 95 Cb 0.64 -3.07 -0.03 0.00 -1.01 0.00 0.00 31.44 27.97 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 -0.08 3.44 0.02 3.49 -1.52 -1.26 -4.86 119.66 118.89 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 -2.44 0.78 1.03 -0.25 0.00 0.00 175.29 174.41 2kmn s ARG 97 N 5.26 4.50 0.07 2.91 0.52 -1.25 -4.55 118.95 126.42 2kmn s ARG 97 Ca 0.51 1.07 0.06 0.00 -0.52 0.00 0.00 55.73 56.85 2kmn s ARG 97 Cb -0.01 -3.39 -0.03 0.00 0.52 0.00 0.00 34.95 32.04 2kmn s ARG 97 CO -0.06 0.21 -0.15 0.00 0.02 0.00 0.00 175.30 175.31 2kmn s ALA 98 N 0.21 1.29 0.17 2.13 0.00 0.67 -4.64 121.76 121.59 2kmn s ALA 98 Ca 0.40 -1.03 -0.30 0.00 0.00 0.00 0.00 51.96 51.03 2kmn s ALA 98 Cb -0.20 -0.13 -0.08 0.00 0.00 0.00 0.00 23.12 22.71 2kmn s ALA 98 CO 0.23 0.21 1.12 -1.17 0.00 0.00 0.00 175.76 176.14 2kmn s LEU 99 N -1.73 4.48 -0.06 0.00 0.20 -1.26 -1.68 118.68 118.64 2kmn s LEU 99 Ca -0.00 2.11 0.02 0.00 0.69 0.00 0.00 54.13 56.94 2kmn s LEU 99 Cb -0.10 -3.60 0.01 0.00 -0.43 0.00 0.00 46.19 42.07 2kmn s LEU 99 CO 0.03 -0.26 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.04 2kmn s VAL 100 N -0.14 0.97 -0.12 1.68 1.01 -0.99 -4.86 120.40 117.95 2kmn s VAL 100 Ca 0.50 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 2kmn s VAL 100 Cb -0.30 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 2kmn s VAL 100 CO 0.35 0.32 1.11 -2.84 0.00 0.00 0.00 175.10 174.03 2kmn s PRO 101 N 0.66 4.35 0.14 2.72 0.02 -1.26 -3.79 135.00 137.85 2kmn s PRO 101 Ca -0.13 1.51 -0.04 0.00 0.02 0.00 0.00 61.00 62.36 2kmn s PRO 101 Cb -0.15 -3.59 -0.03 0.00 0.02 0.00 0.00 34.50 30.75 2kmn s PRO 101 CO 0.03 -0.46 0.14 -0.98 -0.33 0.00 0.00 177.00 175.40 2kmn s ARG 102 N 2.44 1.01 0.67 5.54 3.03 -0.83 -4.96 118.95 125.85 2kmn s ARG 102 Ca 0.51 -1.34 -0.15 0.00 2.03 0.00 0.00 55.73 56.78 2kmn s ARG 102 Cb -0.20 0.29 0.01 0.00 -1.03 0.00 0.00 34.95 34.02 2kmn s ARG 102 CO 0.17 -0.32 1.12 0.00 -1.13 0.00 0.00 175.30 175.14 2kmn s ALA 103 N -4.02 2.41 0.06 7.88 0.00 -1.25 0.36 121.76 127.20 2kmn s ALA 103 Ca 0.21 0.59 -0.17 0.00 0.00 0.00 0.00 51.96 52.60 2kmn s ALA 103 Cb 0.06 -3.34 -0.16 0.00 0.00 0.00 0.00 23.12 19.68 2kmn s ALA 103 CO 0.01 -1.37 1.27 1.49 0.00 0.00 0.00 175.76 177.16 2kmn h GLU 104 N -0.03 0.58 -3.75 0.00 4.57 0.17 -3.41 114.58 112.71 2kmn h GLU 104 Ca -0.47 -0.44 -0.25 0.00 -1.18 0.00 0.00 59.36 57.03 2kmn h GLU 104 Cb 1.25 0.08 -0.29 0.00 -0.16 0.00 0.00 28.75 29.63 2kmn h GLU 104 CO 0.53 1.06 -0.73 0.15 -1.18 0.00 0.00 179.01 178.85 2kmn s LYS 105 N -3.81 0.04 -0.03 1.92 1.02 -0.16 -0.89 119.74 117.83 2kmn s LYS 105 Ca -0.12 0.01 -0.03 0.00 0.02 0.00 0.00 55.97 55.85 2kmn s LYS 105 Cb 0.06 -0.08 0.01 0.00 -0.52 0.00 0.00 37.83 37.30 2kmn s LYS 105 CO 0.83 -0.02 0.09 0.14 -0.92 0.00 0.00 175.35 175.47 2kmn s VAL 106 N 0.17 0.01 -0.20 3.17 -7.23 0.33 -0.22 120.40 116.44 2kmn s VAL 106 Ca -0.01 -0.12 -0.05 0.00 -1.81 0.00 0.00 61.98 59.98 2kmn s VAL 106 Cb -0.02 -0.17 -0.03 0.00 0.56 0.00 0.00 36.38 36.72 2kmn s VAL 106 CO -0.00 -0.07 0.01 -0.54 -0.31 0.00 0.00 175.10 174.19 2kmn s LYS 107 N -0.17 3.68 0.16 4.82 -0.14 0.26 0.70 119.74 129.04 2kmn s LYS 107 Ca -0.02 -0.49 0.05 0.00 -1.36 0.00 0.00 55.97 54.14 2kmn s LYS 107 Cb -0.02 -3.09 -0.04 0.00 -1.68 0.00 0.00 37.83 32.99 2kmn s LYS 107 CO 0.00 0.07 -0.11 0.96 -0.76 0.00 0.00 175.35 175.51 2kmn s ILE 108 N 0.87 1.25 -0.09 2.17 -5.25 0.90 -0.05 121.20 121.00 2kmn s ILE 108 Ca 0.01 -2.08 -0.00 0.00 -0.99 0.00 0.00 60.65 57.58 2kmn s ILE 108 Cb -0.14 -1.88 -0.03 0.00 2.95 0.00 0.00 42.46 43.35 2kmn s ILE 108 CO 0.02 -0.72 -0.06 -0.13 -1.79 0.00 0.00 174.94 172.27 2kmn s ARG 109 N -3.73 2.97 0.24 0.37 0.52 0.60 0.60 118.95 120.51 2kmn s ARG 109 Ca 0.18 -0.53 -0.18 0.00 -0.52 0.00 0.00 55.73 54.67 2kmn s ARG 109 Cb 0.02 -2.68 0.02 0.00 0.52 0.00 0.00 34.95 32.83 2kmn s ARG 109 CO 0.02 0.58 0.60 0.00 0.02 0.00 0.00 175.30 176.51 2kmn s ALA 110 N -0.56 -0.96 0.14 2.13 0.00 0.14 0.79 121.76 123.44 2kmn s ALA 110 Ca 0.09 -0.33 0.08 0.00 0.00 0.00 0.00 51.96 51.79 2kmn s ALA 110 Cb -0.12 0.90 -0.04 0.00 0.00 0.00 0.00 23.12 23.86 2kmn s ALA 110 CO 0.02 -0.91 -0.11 -0.48 0.00 0.00 0.00 175.76 174.29 2kmn s LEU 111 N -2.91 2.97 0.50 0.00 0.05 -0.92 0.14 118.68 118.52 2kmn s LEU 111 Ca 0.12 -0.49 -0.04 0.00 0.05 0.00 0.00 54.13 53.78 2kmn s LEU 111 Cb -0.03 -1.73 -0.01 0.00 -2.05 0.00 0.00 46.19 42.37 2kmn s LEU 111 CO 0.03 0.15 0.77 -0.62 -0.55 0.00 0.00 176.35 176.13 2kmn s ASP 112 N -2.47 5.93 0.57 1.48 -1.08 -0.99 0.16 116.67 120.28 2kmn s ASP 112 Ca 0.22 0.65 0.25 0.00 -0.52 0.00 0.00 52.55 53.15 2kmn s ASP 112 Cb -0.10 -1.87 1.34 0.00 -1.46 0.00 0.00 42.92 40.83 2kmn s ASP 112 CO 0.14 -0.75 1.73 -0.09 0.52 0.00 0.00 175.17 176.73 2kmn h ARG 113 N 0.18 0.00 0.00 4.34 2.43 -1.93 0.47 114.38 119.87 2kmn h ARG 113 Ca -0.46 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.60 2kmn h ARG 113 Cb 1.23 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 2kmn h ARG 113 CO 0.60 0.00 -0.49 -0.44 -1.51 0.00 0.00 179.97 178.13 2kmn h ASP 114 N 0.00 0.00 0.00 -3.80 3.32 -1.96 -3.47 116.42 110.51 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 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 2kmn h ASP 114 CO 0.00 0.49 0.00 0.61 -1.72 0.00 0.00 179.24 178.62 2kmn n GLY 115 N 1.13 1.41 2.83 2.75 0.00 0.16 -5.10 105.19 108.38 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 -0.29 1.02 -0.27 1.61 1.02 -1.25 -4.91 119.74 116.67 2kmn s LYS 116 Ca 0.00 -1.14 -0.29 0.00 0.02 0.00 0.00 55.97 54.56 2kmn s LYS 116 Cb 0.00 -2.34 -0.01 0.00 -0.52 0.00 0.00 37.83 34.96 2kmn s LYS 116 CO 0.00 -0.87 1.42 -2.14 -0.92 0.00 0.00 175.35 172.84 2kmn s PRO 117 N 1.47 3.86 0.33 -1.68 0.02 -1.26 -2.34 135.00 135.40 2kmn s PRO 117 Ca 0.06 1.39 0.05 0.00 0.02 0.00 0.00 61.00 62.52 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 -1.20 0.02 -0.59 -0.33 0.00 0.00 177.00 174.74 2kmn s PHE 118 N 4.71 2.06 -0.16 6.54 -0.12 0.37 -4.88 117.98 126.49 2kmn s PHE 118 Ca 0.62 -0.85 -0.05 0.00 -0.05 0.00 0.00 56.93 56.60 2kmn s PHE 118 Cb -0.20 -1.33 -0.03 0.00 -0.63 0.00 0.00 43.02 40.83 2kmn s PHE 118 CO 0.26 0.15 -0.01 -1.21 -0.05 0.00 0.00 175.22 174.36 2kmn s GLU 119 N -3.82 3.76 -0.04 1.99 2.02 -1.26 0.27 118.70 121.61 2kmn s GLU 119 Ca 0.35 -0.46 0.04 0.00 0.02 0.00 0.00 54.97 54.91 2kmn s GLU 119 Cb 0.08 -3.00 0.00 0.00 0.10 0.00 0.00 34.13 31.30 2kmn s GLU 119 CO 0.15 0.26 -0.15 -0.48 0.02 0.00 0.00 175.26 175.06 2kmn s LEU 120 N 0.35 1.86 -0.20 1.80 0.05 0.20 -4.97 118.68 117.77 2kmn s LEU 120 Ca -0.02 -0.32 -0.17 0.00 0.05 0.00 0.00 54.13 53.68 2kmn s LEU 120 Cb -0.14 -0.88 -0.04 0.00 -2.05 0.00 0.00 46.19 43.09 2kmn s LEU 120 CO 0.02 0.12 0.43 -1.83 -0.55 0.00 0.00 176.35 174.55 2kmn s GLU 121 N 0.15 4.18 -0.08 1.48 -1.05 -1.26 -0.07 118.70 122.05 2kmn s GLU 121 Ca -0.05 0.27 0.03 0.00 -0.15 0.00 0.00 54.97 55.07 2kmn s GLU 121 Cb -0.11 -3.54 -0.02 0.00 -0.44 0.00 0.00 34.13 30.02 2kmn s GLU 121 CO 0.02 -0.06 -0.18 0.00 0.95 0.00 0.00 175.26 175.99 2kmn s ALA 122 N 1.38 2.47 0.27 -0.84 0.00 0.22 -4.94 121.76 120.32 2kmn s ALA 122 Ca 0.21 -0.98 0.06 0.00 0.00 0.00 0.00 51.96 51.25 2kmn s ALA 122 Cb -0.15 -0.93 -0.06 0.00 0.00 0.00 0.00 23.12 21.98 2kmn s ALA 122 CO 0.09 0.42 -0.06 -0.51 0.00 0.00 0.00 175.76 175.69 2kmn s ASP 123 N -0.22 2.65 0.53 0.00 1.11 -1.26 0.12 116.67 119.60 2kmn s ASP 123 Ca -0.00 -1.18 0.00 0.00 0.18 0.00 0.00 52.55 51.55 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 -0.35 0.00 0.61 1.18 0.00 0.00 175.17 176.64 2kmn n GLY 124 N -0.55 2.37 0.38 0.21 0.00 -0.07 -1.37 105.19 106.17 2kmn n GLY 124 Ca -0.06 -0.18 0.17 0.00 0.00 0.00 0.00 46.02 45.95 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 0.34 0.15 0.99 3.38 -1.98 0.34 115.31 118.53 2kmn h LEU 125 Ca 0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2kmn h LEU 125 Cb 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2kmn h LEU 125 CO 0.00 0.17 -0.07 0.25 0.09 0.00 0.00 178.44 178.88 2kmn h LEU 126 N 0.36 -0.18 -0.41 1.67 7.12 -1.58 -2.26 115.31 120.04 2kmn h LEU 126 Ca 0.37 -0.36 0.01 0.00 0.13 0.00 0.00 57.88 58.03 2kmn h LEU 126 Cb 0.92 0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 41.07 2kmn h LEU 126 CO -0.11 0.34 0.25 0.00 -0.13 0.00 0.00 178.44 178.79 2kmn h ALA 127 N -0.12 0.51 0.57 1.25 0.00 -0.59 0.06 119.26 120.94 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 0.53 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.19 2kmn h ALA 127 CO 0.03 -0.07 -0.27 0.82 0.00 0.00 0.00 179.25 179.76 2kmn h ILE 128 N 0.50 0.42 0.12 0.00 1.08 -0.44 -0.41 117.51 118.79 2kmn h ILE 128 Ca 0.16 -0.12 -0.01 0.00 -0.39 0.00 0.00 64.86 64.50 2kmn h ILE 128 Cb -0.01 0.47 0.00 0.00 -3.07 0.00 0.00 36.82 34.21 2kmn h ILE 128 CO -0.06 0.02 -0.06 0.00 -0.69 0.00 0.00 178.15 177.36 2kmn h ILE 130 N -0.17 1.15 -0.40 0.00 2.10 -1.02 0.91 117.51 120.09 2kmn h ILE 130 Ca -0.02 -0.36 -0.12 0.00 1.08 0.00 0.00 64.86 65.45 2kmn h ILE 130 Cb 0.13 0.02 -0.01 0.00 -1.09 0.00 0.00 36.82 35.87 2kmn h ILE 130 CO 0.03 0.19 -0.22 0.06 -1.08 0.00 0.00 178.15 177.13 2kmn h GLN 131 N 1.04 0.80 -0.52 2.19 3.07 -0.86 -2.21 115.11 118.61 2kmn h GLN 131 Ca 0.31 -0.32 0.01 0.00 0.09 0.00 0.00 58.65 58.74 2kmn h GLN 131 Cb -0.04 -0.04 -0.03 0.00 0.08 0.00 0.00 27.48 27.46 2kmn h GLN 131 CO -0.10 0.94 0.33 1.25 0.09 0.00 0.00 178.83 181.35 2kmn h HIS 132 N 0.69 0.63 -0.57 0.06 2.76 0.43 -2.14 115.15 117.02 2kmn h HIS 132 Ca 0.10 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.30 2kmn h HIS 132 Cb 0.74 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 29.46 2kmn h HIS 132 CO 0.04 0.38 0.36 0.93 -1.30 0.00 0.00 177.93 178.34 2kmn h GLU 133 N 0.68 0.70 -0.28 5.26 4.39 -0.57 0.24 114.58 125.00 2kmn h GLU 133 Ca 0.20 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.89 2kmn h GLU 133 Cb -0.04 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.42 2kmn h GLU 133 CO -0.06 0.46 0.08 0.52 -1.16 0.00 0.00 179.01 178.86 2kmn h MET 134 N 0.72 0.19 -0.13 2.33 2.86 -0.96 0.34 114.93 120.29 2kmn h MET 134 Ca 0.22 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.85 2kmn h MET 134 Cb -0.03 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 2kmn h MET 134 CO -0.07 0.13 0.07 -0.44 1.06 0.00 0.00 176.91 177.66 2kmn h ASP 135 N 0.20 0.16 0.15 1.22 3.32 -0.96 -2.31 116.42 118.19 2kmn h ASP 135 Ca 0.12 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 2kmn h ASP 135 Cb 0.10 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.62 2kmn h ASP 135 CO -0.14 0.18 -0.07 -0.74 -1.72 0.00 0.00 179.24 176.75 2kmn h HIS 136 N 0.12 -0.18 -0.39 4.55 2.76 -0.08 0.32 115.15 122.26 2kmn h HIS 136 Ca 0.05 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.25 2kmn h HIS 136 Cb 0.06 0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.06 2kmn h HIS 136 CO -0.05 -0.11 0.26 1.37 -1.30 0.00 0.00 177.93 178.10 2kmn h LEU 137 N -0.20 0.33 -1.32 0.26 8.10 -0.28 0.85 115.31 123.06 2kmn h LEU 137 Ca -0.02 -0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.96 2kmn h LEU 137 Cb 0.15 -0.08 -0.00 0.00 -0.44 0.00 0.00 40.66 40.29 2kmn h LEU 137 CO 0.03 0.23 0.00 0.55 -4.11 0.00 0.00 178.44 175.14 2kmn n VAL 138 N -4.48 0.34 -1.26 0.15 3.14 -0.88 -1.65 118.33 113.69 2kmn n VAL 138 Ca 0.04 -0.15 -0.10 0.00 -2.96 0.00 0.00 64.34 61.18 2kmn n VAL 138 Cb 0.17 -0.50 -0.04 0.00 -1.06 0.00 0.00 33.84 32.41 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 0.08 0.91 3.46 7.55 0.00 0.29 -3.69 105.19 113.79 2kmn n GLY 139 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.78 3.42 0.01 1.61 -2.85 0.11 -4.10 119.74 115.16 2kmn s LYS 140 Ca 0.00 -0.66 0.05 0.00 -1.00 0.00 0.00 55.97 54.35 2kmn s LYS 140 Cb 0.00 -3.58 -0.01 0.00 -2.06 0.00 0.00 37.83 32.18 2kmn s LYS 140 CO 0.00 -0.38 -0.15 -0.51 0.10 0.00 0.00 175.35 174.41 2kmn s LEU 141 N 1.64 2.07 0.33 2.77 1.02 -1.26 -2.41 118.68 122.84 2kmn s LEU 141 Ca 0.05 -0.33 0.04 0.00 0.02 0.00 0.00 54.13 53.91 2kmn s LEU 141 Cb -0.17 -0.72 0.59 0.00 0.02 0.00 0.00 46.19 45.91 2kmn s LEU 141 CO 0.07 0.14 1.88 -0.26 0.02 0.00 0.00 176.35 178.20 2kmn h PHE 142 N 5.50 0.60 -0.23 0.29 -1.00 -1.97 -1.78 116.94 118.34 2kmn h PHE 142 Ca -0.36 -0.05 0.07 0.00 2.81 0.00 0.00 57.97 60.44 2kmn h PHE 142 Cb 1.17 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 40.54 2kmn h PHE 142 CO 0.44 0.55 0.26 1.98 -1.61 0.00 0.00 178.31 179.93 2kmn h MET 143 N 0.56 0.00 -0.30 1.51 4.05 -1.96 -1.31 114.93 117.50 2kmn h MET 143 Ca 0.13 0.00 0.09 0.00 -0.28 0.00 0.00 59.70 59.63 2kmn h MET 143 Cb 0.28 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.07 2kmn h MET 143 CO 0.00 0.00 0.45 0.22 0.23 0.00 0.00 176.91 177.82 2kmn h ASP 144 N 0.00 0.00 -0.84 1.39 3.58 -1.74 -0.84 116.42 117.97 2kmn h ASP 144 Ca 0.11 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 57.03 2kmn h ASP 144 Cb 0.64 0.00 -0.43 0.00 1.72 0.00 0.00 39.33 41.26 2kmn h ASP 144 CO -0.00 0.00 -0.84 0.00 -2.88 0.00 0.00 179.24 175.52 2kmn n TYR 145 N -3.41 2.70 -3.52 0.28 9.36 -0.49 -5.05 117.16 117.03 2kmn n TYR 145 Ca 0.05 -2.36 -0.38 0.00 3.32 0.00 0.00 57.90 58.53 2kmn n TYR 145 Cb 0.59 -0.29 -0.06 0.00 -0.63 0.00 0.00 39.34 38.95 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 -3.60 4.47 0.00 2.98 1.43 -0.32 -5.13 118.68 118.51 2kmn s LEU 146 Ca 0.48 0.94 0.00 0.00 -1.03 0.00 0.00 54.13 54.52 2kmn s LEU 146 Cb 0.40 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 44.06 2kmn s LEU 146 CO -0.00 0.33 0.00 -1.54 0.23 0.00 0.00 176.35 175.36