#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 4.80 0.00 0.44 -7.23 -1.26 -4.06 120.40 113.09 2kmn s VAL 2 Ca 0.00 1.66 0.00 0.00 -1.81 0.00 0.00 61.98 61.83 2kmn s VAL 2 Cb 0.00 -4.13 0.00 0.00 0.56 0.00 0.00 36.38 32.81 2kmn s VAL 2 CO 0.00 0.32 0.00 0.00 -0.31 0.00 0.00 175.10 175.11 2kmn n LEU 3 N 3.12 0.00 -4.40 1.32 -0.00 -1.26 -4.96 117.00 110.82 2kmn n LEU 3 Ca -0.01 0.00 -0.44 0.00 -0.00 0.00 0.00 56.01 55.56 2kmn n LEU 3 Cb 0.50 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.85 2kmn n LEU 3 CO 0.48 0.00 0.12 -1.58 -0.00 0.00 0.00 177.39 176.40 2kmn s GLN 4 N 0.10 3.01 -0.14 1.47 0.74 -1.26 -5.05 119.66 118.53 2kmn s GLN 4 Ca 0.00 -1.27 -0.22 0.00 0.05 0.00 0.00 55.36 53.92 2kmn s GLN 4 Cb 0.00 -4.14 -0.03 0.00 1.10 0.00 0.00 33.01 29.94 2kmn s GLN 4 CO 0.00 -1.11 0.65 0.08 -0.55 0.00 0.00 175.29 174.36 2kmn s VAL 5 N 1.89 5.04 0.23 1.34 1.01 -1.26 -3.03 120.40 125.62 2kmn s VAL 5 Ca 0.07 1.27 -0.19 0.00 0.00 0.00 0.00 61.98 63.12 2kmn s VAL 5 Cb -0.24 -3.97 -0.08 0.00 0.00 0.00 0.00 36.38 32.09 2kmn s VAL 5 CO 0.08 0.18 0.72 -0.76 0.00 0.00 0.00 175.10 175.31 2kmn s LEU 6 N 1.41 4.32 0.04 3.92 1.43 0.19 -4.93 118.68 125.06 2kmn s LEU 6 Ca 0.32 1.40 0.08 0.00 -1.03 0.00 0.00 54.13 54.89 2kmn s LEU 6 Cb -0.16 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.42 2kmn s LEU 6 CO 0.13 0.02 -0.23 -1.00 0.23 0.00 0.00 176.35 175.50 2kmn s HIS 7 N -1.56 1.99 0.20 0.29 3.76 -1.26 -3.99 115.29 114.72 2kmn s HIS 7 Ca 0.44 -0.39 -0.31 0.00 -0.15 0.00 0.00 55.06 54.65 2kmn s HIS 7 Cb -0.16 -1.20 -0.10 0.00 1.11 0.00 0.00 32.58 32.23 2kmn s HIS 7 CO 0.21 0.09 1.47 0.42 -0.85 0.00 0.00 174.74 176.07 2kmn s ILE 8 N -0.76 2.77 0.33 0.60 -1.09 0.24 -3.28 121.20 120.01 2kmn s ILE 8 Ca 0.09 0.60 -0.26 0.00 -2.23 0.00 0.00 60.65 58.85 2kmn s ILE 8 Cb -0.09 -3.38 -0.09 0.00 -1.58 0.00 0.00 42.46 37.31 2kmn s ILE 8 CO 0.01 0.07 1.01 -2.84 -1.23 0.00 0.00 174.94 171.97 2kmn s PRO 9 N 0.34 4.47 -0.29 2.79 0.02 -1.26 -4.79 135.00 136.28 2kmn s PRO 9 Ca 0.63 1.49 -0.14 0.00 0.02 0.00 0.00 61.00 63.00 2kmn s PRO 9 Cb -0.41 -2.82 0.11 0.00 0.02 0.00 0.00 34.50 31.39 2kmn s PRO 9 CO 0.37 0.14 0.76 0.34 -0.33 0.00 0.00 177.00 178.28 2kmn s ASP 10 N -1.42 -0.89 0.17 2.53 2.15 -1.20 -5.05 116.67 112.96 2kmn s ASP 10 Ca 0.51 1.35 -0.14 0.00 0.43 0.00 0.00 52.55 54.70 2kmn s ASP 10 Cb -0.23 1.60 0.11 0.00 -0.30 0.00 0.00 42.92 44.10 2kmn s ASP 10 CO 0.29 -0.20 1.79 1.05 -0.17 0.00 0.00 175.17 177.93 2kmn h GLU 11 N 7.11 0.49 -0.01 4.34 9.09 -1.95 -1.87 114.58 131.79 2kmn h GLU 11 Ca -0.26 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.13 2kmn h GLU 11 Cb 1.18 -0.11 -0.00 0.00 -1.65 0.00 0.00 28.75 28.17 2kmn h GLU 11 CO 0.15 0.33 0.01 0.00 0.05 0.00 0.00 179.01 179.54 2kmn h ARG 12 N 0.51 0.00 0.01 1.06 3.08 -1.93 0.99 114.38 118.10 2kmn h ARG 12 Ca 0.20 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.06 2kmn h ARG 12 Cb 0.08 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 2kmn h ARG 12 CO -0.13 0.00 -0.90 -0.07 -1.07 0.00 0.00 179.97 177.80 2kmn h LEU 13 N 0.00 0.05 -1.99 3.04 3.38 -1.55 -2.60 115.31 115.64 2kmn h LEU 13 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2kmn h LEU 13 Cb 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2kmn h LEU 13 CO -0.00 0.92 0.00 0.54 0.09 0.00 0.00 178.44 179.99 2kmn n ARG 14 N -3.51 2.27 -3.37 1.13 5.12 -0.11 -3.91 116.66 114.28 2kmn n ARG 14 Ca -0.01 -1.95 -0.33 0.00 -1.93 0.00 0.00 57.85 53.62 2kmn n ARG 14 Cb 0.85 -1.44 -0.06 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 -1.35 3.90 -0.04 5.56 2.20 0.32 -4.40 119.74 125.93 2kmn s LYS 15 Ca 0.37 0.41 -0.28 0.00 -0.36 0.00 0.00 55.97 56.11 2kmn s LYS 15 Cb 0.20 -2.76 -0.03 0.00 -1.51 0.00 0.00 37.83 33.73 2kmn s LYS 15 CO 0.27 0.38 0.90 0.08 -0.36 0.00 0.00 175.35 176.62 2kmn s VAL 16 N -1.67 4.90 0.15 4.02 1.01 -1.26 0.79 120.40 128.35 2kmn s VAL 16 Ca 0.44 1.88 -0.14 0.00 0.00 0.00 0.00 61.98 64.15 2kmn s VAL 16 Cb -0.13 -4.24 -0.07 0.00 0.00 0.00 0.00 36.38 31.94 2kmn s VAL 16 CO 0.20 0.15 0.55 0.00 0.00 0.00 0.00 175.10 176.00 2kmn s ALA 17 N 1.19 3.57 -0.15 5.51 0.00 0.88 -4.81 121.76 127.96 2kmn s ALA 17 Ca 0.47 -0.14 -0.05 0.00 0.00 0.00 0.00 51.96 52.24 2kmn s ALA 17 Cb -0.19 -2.52 -0.03 0.00 0.00 0.00 0.00 23.12 20.38 2kmn s ALA 17 CO 0.23 0.46 -0.00 0.21 0.00 0.00 0.00 175.76 176.66 2kmn s LYS 18 N -2.04 3.67 -0.37 0.00 2.36 -1.25 -4.24 119.74 117.87 2kmn s LYS 18 Ca 0.39 -0.45 -0.28 0.00 -2.55 0.00 0.00 55.97 53.08 2kmn s LYS 18 Cb -0.15 -2.99 0.02 0.00 -1.05 0.00 0.00 37.83 33.66 2kmn s LYS 18 CO 0.19 0.32 1.03 -1.25 1.55 0.00 0.00 175.35 177.19 2kmn s PRO 19 N 0.18 3.92 0.43 4.03 0.04 -1.26 -1.75 135.00 140.59 2kmn s PRO 19 Ca 0.01 0.79 -0.24 0.00 0.04 0.00 0.00 61.00 61.59 2kmn s PRO 19 Cb -0.13 -3.79 -0.08 0.00 0.04 0.00 0.00 34.50 30.54 2kmn s PRO 19 CO 0.02 -1.01 1.20 0.08 0.04 0.00 0.00 177.00 177.33 2kmn s VAL 20 N 3.74 3.00 0.48 -0.36 1.01 -1.26 -4.92 120.40 122.08 2kmn s VAL 20 Ca 0.43 0.81 0.38 0.00 0.00 0.00 0.00 61.98 63.60 2kmn s VAL 20 Cb -0.11 -3.44 0.40 0.00 0.00 0.00 0.00 36.38 33.23 2kmn s VAL 20 CO 0.20 0.04 2.22 -0.33 0.00 0.00 0.00 175.10 177.23 2kmn h GLU 21 N 2.35 0.00 -2.20 2.72 5.08 -2.02 -3.44 114.58 117.07 2kmn h GLU 21 Ca -0.49 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.80 2kmn h GLU 21 Cb 1.24 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.29 2kmn h GLU 21 CO 0.61 0.02 0.06 -2.00 -1.00 0.00 0.00 179.01 176.71 2kmn s GLU 22 N -4.08 0.85 -0.56 2.33 2.12 -1.26 -5.12 118.70 112.98 2kmn s GLU 22 Ca -0.03 0.56 -0.28 0.00 0.36 0.00 0.00 54.97 55.58 2kmn s GLU 22 Cb 0.12 0.41 0.03 0.00 0.26 0.00 0.00 34.13 34.95 2kmn s GLU 22 CO 0.48 -0.18 1.20 0.08 -0.54 0.00 0.00 175.26 176.30 2kmn s VAL 23 N -0.36 4.03 0.26 3.70 1.01 -1.26 -5.02 120.40 122.75 2kmn s VAL 23 Ca -0.05 0.95 -0.06 0.00 0.00 0.00 0.00 61.98 62.82 2kmn s VAL 23 Cb -0.03 -4.68 -0.06 0.00 0.00 0.00 0.00 36.38 31.62 2kmn s VAL 23 CO 0.04 -1.26 0.52 0.20 0.00 0.00 0.00 175.10 174.61 2kmn s ASN 24 N 2.99 6.48 0.61 3.32 0.01 -1.26 -4.90 114.94 122.19 2kmn s ASN 24 Ca 0.45 0.72 0.29 0.00 -0.71 0.00 0.00 52.86 53.62 2kmn s ASN 24 Cb -0.08 -2.15 1.60 0.00 0.41 0.00 0.00 41.25 41.03 2kmn s ASN 24 CO 0.27 -0.14 1.98 0.00 -1.51 0.00 0.00 177.10 177.70 2kmn h ALA 25 N 1.99 1.82 -0.04 0.60 0.00 -1.98 0.95 119.26 122.61 2kmn h ALA 25 Ca -0.47 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.23 2kmn h ALA 25 Cb 1.18 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.01 2kmn h ALA 25 CO 0.68 -0.47 -0.75 1.05 0.00 0.00 0.00 179.25 179.75 2kmn h GLU 26 N 0.00 0.58 -0.39 0.00 4.11 -2.00 -2.23 114.58 114.65 2kmn h GLU 26 Ca 0.12 -0.57 -0.07 0.00 0.07 0.00 0.00 59.36 58.91 2kmn h GLU 26 Cb 0.81 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 2kmn h GLU 26 CO -0.00 1.19 -0.05 0.82 0.07 0.00 0.00 179.01 181.04 2kmn h ILE 27 N 0.18 1.23 -0.57 -1.06 5.03 0.27 -2.24 117.51 120.35 2kmn h ILE 27 Ca -0.08 -0.98 -0.09 0.00 -0.12 0.00 0.00 64.86 63.58 2kmn h ILE 27 Cb 1.42 0.99 -0.02 0.00 -3.03 0.00 0.00 36.82 36.18 2kmn h ILE 27 CO 0.15 0.34 -0.01 1.56 -0.68 0.00 0.00 178.15 179.50 2kmn h GLN 28 N 0.60 1.02 -0.72 2.37 4.20 0.05 -2.49 115.11 120.15 2kmn h GLN 28 Ca 0.12 -0.33 -0.04 0.00 0.06 0.00 0.00 58.65 58.46 2kmn h GLN 28 Cb 0.45 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 2kmn h GLN 28 CO 0.02 1.02 0.30 0.00 -0.67 0.00 0.00 178.83 179.50 2kmn h ARG 29 N 0.91 1.06 -0.20 1.46 3.08 -1.08 -1.33 114.38 118.28 2kmn h ARG 29 Ca 0.16 -0.18 0.04 0.00 0.07 0.00 0.00 59.98 60.08 2kmn h ARG 29 Cb 0.56 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 2kmn h ARG 29 CO 0.03 0.85 -0.05 0.82 -1.07 0.00 0.00 179.97 180.56 2kmn h ILE 30 N 1.04 0.80 -0.38 2.04 5.03 -0.99 -1.09 117.51 123.97 2kmn h ILE 30 Ca 0.24 -0.00 -0.08 0.00 -0.12 0.00 0.00 64.86 64.90 2kmn h ILE 30 Cb 0.18 0.80 -0.01 0.00 -3.03 0.00 0.00 36.82 34.76 2kmn h ILE 30 CO -0.02 0.00 -0.08 0.58 -0.68 0.00 0.00 178.15 177.95 2kmn h VAL 31 N 0.00 1.27 -0.92 1.67 2.07 -1.23 -0.55 116.25 118.56 2kmn h VAL 31 Ca 0.10 -1.14 0.10 0.00 0.82 0.00 0.00 66.70 66.57 2kmn h VAL 31 Cb 0.14 1.25 -0.08 0.00 -1.52 0.00 0.00 31.29 31.08 2kmn h VAL 31 CO -0.20 0.38 0.56 0.44 0.02 0.00 0.00 177.57 178.77 2kmn h ASP 32 N 0.52 0.84 0.80 0.57 5.19 -0.95 0.12 116.42 123.51 2kmn h ASP 32 Ca 0.10 0.04 -0.17 0.00 -0.62 0.00 0.00 57.03 56.37 2kmn h ASP 32 Cb 0.59 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.94 2kmn h ASP 32 CO 0.03 0.48 -0.82 0.44 -3.12 0.00 0.00 179.24 176.25 2kmn h ASP 33 N 0.94 0.02 -0.52 6.45 5.19 -1.12 -2.55 116.42 124.82 2kmn h ASP 33 Ca 0.44 -0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.83 2kmn h ASP 33 Cb 0.36 -0.01 -0.03 0.00 0.18 0.00 0.00 39.33 39.84 2kmn h ASP 33 CO -0.24 0.83 0.32 0.24 -3.12 0.00 0.00 179.24 177.28 2kmn h MET 34 N 0.01 0.70 -0.14 3.56 2.86 0.86 0.74 114.93 123.53 2kmn h MET 34 Ca -0.01 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.50 2kmn h MET 34 Cb 1.46 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.96 2kmn h MET 34 CO 0.11 0.50 -0.16 0.27 1.06 0.00 0.00 176.91 178.69 2kmn h PHE 35 N 0.70 0.43 -0.95 -0.22 -5.15 -1.29 0.89 116.94 111.35 2kmn h PHE 35 Ca 0.19 -0.14 0.17 0.00 -0.20 0.00 0.00 57.97 57.99 2kmn h PHE 35 Cb -0.02 -0.09 -0.10 0.00 0.22 0.00 0.00 35.95 35.96 2kmn h PHE 35 CO -0.03 0.77 0.55 0.93 -2.00 0.00 0.00 178.31 178.53 2kmn h GLU 36 N -0.03 0.71 0.40 6.09 4.39 -1.03 0.29 114.58 125.40 2kmn h GLU 36 Ca 0.02 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 2kmn h GLU 36 Cb 0.71 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2kmn h GLU 36 CO 0.04 0.47 -0.19 1.15 -1.16 0.00 0.00 179.01 179.32 2kmn h THR 37 N 0.73 0.00 -0.97 1.13 2.02 0.63 -2.35 112.91 114.10 2kmn h THR 37 Ca 0.53 -0.43 0.28 0.00 0.77 0.00 0.00 66.41 67.56 2kmn h THR 37 Cb 0.77 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.04 2kmn h THR 37 CO -0.37 0.00 0.50 -0.03 0.37 0.00 0.00 175.52 175.99 2kmn h MET 38 N -0.96 0.37 -0.27 6.66 1.85 0.10 1.25 114.93 123.92 2kmn h MET 38 Ca -0.05 -0.02 -0.12 0.00 -0.61 0.00 0.00 59.70 58.89 2kmn h MET 38 Cb 0.41 -0.08 -0.00 0.00 0.43 0.00 0.00 31.60 32.35 2kmn h MET 38 CO 0.09 0.24 -0.31 1.88 -0.40 0.00 0.00 176.91 178.41 2kmn h TYR 39 N 0.38 0.84 0.00 1.39 -1.99 -0.55 0.61 116.97 117.64 2kmn h TYR 39 Ca 0.66 -0.26 -0.01 0.00 2.00 0.00 0.00 58.73 61.13 2kmn h TYR 39 Cb 1.40 -0.17 -0.00 0.00 2.00 0.00 0.00 36.73 39.96 2kmn h TYR 39 CO -0.07 1.01 -0.03 0.00 -0.00 0.00 0.00 178.16 179.08 2kmn h ALA 40 N 0.69 1.39 0.00 3.88 0.00 0.18 1.08 119.26 126.48 2kmn h ALA 40 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2kmn h ALA 40 Cb 0.88 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2kmn h ALA 40 CO 0.07 0.03 -0.51 -1.91 0.00 0.00 0.00 179.25 176.94 2kmn n GLU 41 N -3.68 0.07 -1.94 0.00 4.07 0.22 -4.91 120.64 114.47 2kmn n GLU 41 Ca -0.03 0.02 -0.17 0.00 -0.06 0.00 0.00 57.16 56.92 2kmn n GLU 41 Cb 0.12 -1.54 -0.04 0.00 -0.06 0.00 0.00 31.44 29.92 2kmn n GLU 41 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2kmn n GLU 42 N -1.65 -1.28 -2.80 5.31 -0.58 0.37 -4.97 120.64 115.04 2kmn n GLU 42 Ca 0.05 0.95 -0.37 0.00 -0.42 0.00 0.00 57.16 57.37 2kmn n GLU 42 Cb 0.36 -5.30 -0.06 0.00 -0.57 0.00 0.00 31.44 25.87 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 -2.50 2.78 0.00 0.62 0.00 0.19 -4.95 107.32 103.46 2kmn s GLY 43 Ca 0.00 0.50 0.30 0.00 0.00 0.00 0.00 44.72 45.51 2kmn s GLY 43 CO 0.00 0.93 2.13 1.39 0.00 0.00 0.00 173.10 177.55 2kmn n ILE 44 N 0.54 0.00 0.00 0.90 5.41 -1.26 -4.44 119.36 120.50 2kmn n ILE 44 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.77 2kmn n ILE 44 Cb 0.50 -0.47 0.00 0.00 -0.71 0.00 0.00 39.64 38.97 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 0.96 1.52 3.10 7.39 0.00 -1.26 0.20 105.19 117.10 2kmn n GLY 45 Ca 0.22 0.05 -0.25 0.00 0.00 0.00 0.00 46.02 46.04 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 1.88 -0.15 0.99 2.96 0.34 -4.93 118.68 119.77 2kmn s LEU 46 Ca 0.00 -0.32 -0.06 0.00 -0.22 0.00 0.00 54.13 53.54 2kmn s LEU 46 Cb 0.00 -0.88 -0.04 0.00 0.50 0.00 0.00 46.19 45.77 2kmn s LEU 46 CO 0.00 0.13 0.05 0.00 -1.32 0.00 0.00 176.35 175.21 2kmn s ALA 47 N 0.09 3.40 0.07 5.97 0.00 -1.26 -1.34 121.76 128.68 2kmn s ALA 47 Ca -0.04 -0.75 -0.08 0.00 0.00 0.00 0.00 51.96 51.08 2kmn s ALA 47 Cb -0.11 -1.80 0.03 0.00 0.00 0.00 0.00 23.12 21.24 2kmn s ALA 47 CO 0.02 0.32 0.53 0.00 0.00 0.00 0.00 175.76 176.63 2kmn n ALA 48 N 3.05 -0.14 -0.18 0.00 0.00 0.14 0.10 120.51 123.48 2kmn n ALA 48 Ca -0.17 0.31 0.14 0.00 0.00 0.00 0.00 53.44 53.72 2kmn n ALA 48 Cb 0.53 -0.10 0.47 0.00 0.00 0.00 0.00 19.45 20.36 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 -0.87 0.00 1.35 -1.77 0.01 112.91 112.44 2kmn h THR 49 Ca 0.08 -0.17 -0.03 0.00 -0.55 0.00 0.00 66.41 65.75 2kmn h THR 49 Cb 0.17 0.29 -0.04 0.00 -1.73 0.00 0.00 68.15 66.84 2kmn h THR 49 CO -0.33 0.09 0.44 1.56 -0.25 0.00 0.00 175.52 177.03 2kmn h GLN 50 N 0.48 1.25 -0.68 4.72 4.20 0.36 -2.27 115.11 123.17 2kmn h GLN 50 Ca 0.38 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.92 2kmn h GLN 50 Cb 0.79 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.34 2kmn h GLN 50 CO -0.13 0.94 0.00 1.33 -0.67 0.00 0.00 178.83 180.30 2kmn n VAL 51 N -4.31 1.67 -1.54 -0.54 0.24 -0.16 0.57 118.33 114.26 2kmn n VAL 51 Ca 0.09 -0.90 0.00 0.00 -2.04 0.00 0.00 64.34 61.49 2kmn n VAL 51 Cb 0.13 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.26 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 0.51 -1.89 -4.07 -1.34 -0.08 -0.85 -4.15 116.55 104.69 2kmn n ASP 52 Ca 0.18 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 53.14 2kmn n ASP 52 Cb 0.82 -0.50 -0.15 0.00 2.34 0.00 0.00 41.12 43.63 2kmn n ASP 52 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 2kmn s ILE 53 N -2.00 2.32 -1.29 5.18 -5.25 -0.33 -4.98 121.20 114.86 2kmn s ILE 53 Ca 0.00 -1.78 -0.09 0.00 -0.99 0.00 0.00 60.65 57.79 2kmn s ILE 53 Cb 0.00 -2.45 -0.07 0.00 2.95 0.00 0.00 42.46 42.89 2kmn s ILE 53 CO 0.00 -0.19 2.54 0.00 -1.79 0.00 0.00 174.94 175.50 2kmn n HIS 54 N 4.42 1.98 -3.73 1.37 1.44 -1.26 -2.88 115.22 116.55 2kmn n HIS 54 Ca -0.09 -2.56 -0.12 0.00 -2.01 0.00 0.00 57.72 52.93 2kmn n HIS 54 Cb 0.42 -2.12 -0.13 0.00 0.12 0.00 0.00 29.99 28.29 2kmn n HIS 54 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 2kmn s GLN 55 N 2.82 0.24 -0.79 -1.40 -0.21 -1.26 -3.93 119.66 115.12 2kmn s GLN 55 Ca 0.55 0.53 -0.26 0.00 0.02 0.00 0.00 55.36 56.21 2kmn s GLN 55 Cb 0.14 -0.07 -0.22 0.00 1.00 0.00 0.00 33.01 33.87 2kmn s GLN 55 CO -0.04 -0.14 1.90 0.54 -2.12 0.00 0.00 175.29 175.43 2kmn n ARG 56 N 4.02 0.75 -4.54 2.91 1.74 -0.72 -4.55 116.66 116.28 2kmn n ARG 56 Ca -0.23 -1.77 -0.33 0.00 -0.77 0.00 0.00 57.85 54.75 2kmn n ARG 56 Cb 0.54 -3.34 -0.16 0.00 -1.02 0.00 0.00 32.46 28.48 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 10.82 2.51 0.02 0.55 1.01 -1.26 0.58 121.20 135.42 2kmn s ILE 57 Ca 0.70 -0.82 0.08 0.00 0.00 0.00 0.00 60.65 60.61 2kmn s ILE 57 Cb 0.05 -2.05 -0.02 0.00 0.01 0.00 0.00 42.46 40.45 2kmn s ILE 57 CO 0.20 0.52 -0.23 0.27 0.00 0.00 0.00 174.94 175.70 2kmn s ILE 58 N 0.84 1.83 -0.05 2.92 -5.25 -0.34 0.26 121.20 121.41 2kmn s ILE 58 Ca -0.05 -1.13 0.03 0.00 -0.99 0.00 0.00 60.65 58.51 2kmn s ILE 58 Cb -0.15 -1.55 0.01 0.00 2.95 0.00 0.00 42.46 43.72 2kmn s ILE 58 CO -0.01 0.38 -0.14 0.54 -1.79 0.00 0.00 174.94 173.92 2kmn s VAL 59 N -0.67 1.24 0.19 8.37 0.11 -0.45 -0.73 120.40 128.45 2kmn s VAL 59 Ca 0.09 -0.57 0.09 0.00 -2.93 0.00 0.00 61.98 58.66 2kmn s VAL 59 Cb -0.09 -1.10 -0.04 0.00 -1.53 0.00 0.00 36.38 33.62 2kmn s VAL 59 CO 0.01 0.37 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.42 2kmn s ILE 60 N 0.38 3.16 -0.05 7.04 1.01 0.34 -0.51 121.20 132.57 2kmn s ILE 60 Ca -0.10 -1.70 0.20 0.00 0.00 0.00 0.00 60.65 59.04 2kmn s ILE 60 Cb -0.14 -2.57 0.35 0.00 0.01 0.00 0.00 42.46 40.11 2kmn s ILE 60 CO 0.03 -0.13 1.14 -0.67 0.00 0.00 0.00 174.94 175.31 2kmn n ASP 61 N -0.03 0.54 -4.50 3.58 -0.08 0.55 -1.28 116.55 115.33 2kmn n ASP 61 Ca -0.10 -2.01 -0.43 0.00 -1.51 0.00 0.00 54.79 50.73 2kmn n ASP 61 Cb 0.56 -0.15 -0.05 0.00 2.34 0.00 0.00 41.12 43.81 2kmn n ASP 61 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2kmn s VAL 62 N -0.52 4.64 0.00 5.18 1.01 -0.74 -4.58 120.40 125.39 2kmn s VAL 62 Ca 0.25 0.05 -0.14 0.00 0.00 0.00 0.00 61.98 62.13 2kmn s VAL 62 Cb 0.30 -4.38 -0.17 0.00 0.00 0.00 0.00 36.38 32.13 2kmn s VAL 62 CO -0.11 -0.88 1.12 -1.54 0.00 0.00 0.00 175.10 173.69 2kmn n SER 63 N 6.77 0.33 0.00 3.32 3.41 -1.26 -4.54 113.62 121.65 2kmn n SER 63 Ca -0.01 -1.91 0.03 0.00 -0.26 0.00 0.00 58.87 56.72 2kmn n SER 63 Cb 0.47 -0.40 0.18 0.00 -0.26 0.00 0.00 64.21 64.21 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 5.96 0.79 0.00 4.33 2.13 -1.26 -4.81 120.64 127.78 2kmn n GLU 64 Ca 0.21 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.03 2kmn n GLU 64 Cb 0.22 -1.12 0.00 0.00 0.27 0.00 0.00 31.44 30.81 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 -0.62 3.96 0.06 4.31 4.05 -1.26 -5.08 115.26 120.67 2kmn n ASN 65 Ca 0.05 0.00 -0.06 0.00 0.45 0.00 0.00 54.58 55.02 2kmn n ASN 65 Cb 0.02 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 41.00 2kmn n ASN 65 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 177.26 174.24 2kmn h ARG 66 N 0.00 -0.25 -5.91 1.20 2.47 -1.99 -3.46 114.38 106.45 2kmn h ARG 66 Ca 0.00 0.02 -0.68 0.00 -1.26 0.00 0.00 59.98 58.06 2kmn h ARG 66 Cb 0.00 0.06 -0.26 0.00 -1.65 0.00 0.00 29.97 28.11 2kmn h ARG 66 CO 0.00 -0.06 -0.79 -0.51 0.56 0.00 0.00 179.97 179.17 2kmn s ASP 67 N -5.32 3.80 -0.00 7.04 1.11 -1.26 -5.04 116.67 117.00 2kmn s ASP 67 Ca -0.06 -0.31 -0.30 0.00 0.18 0.00 0.00 52.55 52.05 2kmn s ASP 67 Cb 0.00 -1.11 -0.03 0.00 1.07 0.00 0.00 42.92 42.86 2kmn s ASP 67 CO 0.21 0.26 0.99 -1.61 1.18 0.00 0.00 175.17 176.20 2kmn s GLU 68 N -0.23 4.55 -0.30 8.23 8.01 -1.26 -4.86 118.70 132.83 2kmn s GLU 68 Ca 0.00 1.44 0.01 0.00 0.01 0.00 0.00 54.97 56.43 2kmn s GLU 68 Cb -0.13 -3.46 0.31 0.00 -4.31 0.00 0.00 34.13 26.54 2kmn s GLU 68 CO 0.03 -0.07 1.40 -2.13 0.01 0.00 0.00 175.26 174.50 2kmn n ARG 69 N 3.95 0.00 -4.03 1.61 0.63 -1.26 -4.99 116.66 112.57 2kmn n ARG 69 Ca 0.06 -0.50 -0.35 0.00 -0.92 0.00 0.00 57.85 56.14 2kmn n ARG 69 Cb 0.51 -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 -0.63 3.90 -0.02 6.15 1.43 -0.41 -5.00 118.68 124.10 2kmn s LEU 70 Ca 0.22 0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.50 2kmn s LEU 70 Cb 0.26 -1.97 0.01 0.00 0.03 0.00 0.00 46.19 44.53 2kmn s LEU 70 CO -0.16 0.25 -0.04 0.54 0.23 0.00 0.00 176.35 177.17 2kmn s VAL 71 N -0.07 0.40 -0.00 -1.59 0.11 -1.26 0.13 120.40 118.11 2kmn s VAL 71 Ca 0.07 -0.11 -0.01 0.00 -2.93 0.00 0.00 61.98 59.00 2kmn s VAL 71 Cb -0.12 -0.40 -0.00 0.00 -1.53 0.00 0.00 36.38 34.32 2kmn s VAL 71 CO 0.01 0.16 0.01 -0.76 -3.33 0.00 0.00 175.10 171.20 2kmn s LEU 72 N 0.52 1.97 -0.08 2.54 2.01 0.09 -4.28 118.68 121.45 2kmn s LEU 72 Ca -0.06 -0.05 0.05 0.00 0.01 0.00 0.00 54.13 54.08 2kmn s LEU 72 Cb -0.09 0.09 -0.01 0.00 0.01 0.00 0.00 46.19 46.19 2kmn s LEU 72 CO -0.00 -0.06 -0.24 -0.63 1.01 0.00 0.00 176.35 176.42 2kmn s ILE 73 N -0.26 2.04 -1.46 -0.59 1.09 0.52 -1.20 121.20 121.34 2kmn s ILE 73 Ca -0.03 -1.04 -0.11 0.00 -1.10 0.00 0.00 60.65 58.38 2kmn s ILE 73 Cb -0.02 -1.74 0.06 0.00 -1.06 0.00 0.00 42.46 39.70 2kmn s ILE 73 CO -0.00 0.56 0.77 0.59 -0.10 0.00 0.00 174.94 176.76 2kmn n ASN 74 N 3.21 -4.84 -4.67 3.58 3.02 0.20 -1.85 115.26 113.91 2kmn n ASN 74 Ca -0.18 -0.55 -0.38 0.00 -0.03 0.00 0.00 54.58 53.43 2kmn n ASN 74 Cb 0.52 -3.90 0.05 0.00 -0.61 0.00 0.00 39.78 35.84 2kmn n ASN 74 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2kmn n PRO 75 N -4.29 1.19 -4.12 3.52 -0.02 -1.25 -4.75 135.00 125.29 2kmn n PRO 75 Ca -0.01 0.45 -0.15 0.00 -2.02 0.00 0.00 63.50 61.78 2kmn n PRO 75 Cb 0.55 -2.34 -0.13 0.00 -0.02 0.00 0.00 33.50 31.56 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 -2.85 0.48 0.19 -0.52 -1.05 0.25 -4.94 118.70 110.27 2kmn s GLU 76 Ca 0.75 -0.46 -0.30 0.00 -0.15 0.00 0.00 54.97 54.81 2kmn s GLU 76 Cb -0.42 -0.37 -0.08 0.00 -0.44 0.00 0.00 34.13 32.82 2kmn s GLU 76 CO 0.47 0.09 0.95 -1.17 0.95 0.00 0.00 175.26 176.54 2kmn s LEU 77 N -0.80 4.59 -0.09 1.83 2.96 -1.26 -0.28 118.68 125.64 2kmn s LEU 77 Ca -0.03 1.89 0.01 0.00 -0.22 0.00 0.00 54.13 55.78 2kmn s LEU 77 Cb -0.06 -3.60 -0.06 0.00 0.50 0.00 0.00 46.19 42.97 2kmn s LEU 77 CO 0.00 0.08 -0.07 0.18 -1.32 0.00 0.00 176.35 175.22 2kmn n LEU 78 N 1.97 2.79 -3.57 -0.68 7.99 0.49 -4.89 117.00 121.10 2kmn n LEU 78 Ca -0.00 -0.05 -0.16 0.00 -0.01 0.00 0.00 56.01 55.79 2kmn n LEU 78 Cb 0.48 -0.29 -0.06 0.00 -0.11 0.00 0.00 43.42 43.44 2kmn n LEU 78 CO 0.50 0.62 0.43 -0.70 -1.51 0.00 0.00 177.39 176.74 2kmn s GLU 79 N -2.18 0.96 0.03 3.23 2.12 -0.73 -4.94 118.70 117.18 2kmn s GLU 79 Ca -0.12 0.60 0.01 0.00 0.36 0.00 0.00 54.97 55.82 2kmn s GLU 79 Cb 0.03 0.46 -0.02 0.00 0.26 0.00 0.00 34.13 34.86 2kmn s GLU 79 CO 0.22 -0.22 -0.05 -1.59 -0.54 0.00 0.00 175.26 173.08 2kmn s LYS 80 N -0.46 0.38 -0.06 4.30 -2.85 -1.26 -0.12 119.74 119.67 2kmn s LYS 80 Ca -0.06 -0.64 -0.29 0.00 -1.00 0.00 0.00 55.97 53.98 2kmn s LYS 80 Cb -0.02 -0.04 0.07 0.00 -2.06 0.00 0.00 37.83 35.77 2kmn s LYS 80 CO 0.06 -0.01 0.65 -1.54 0.10 0.00 0.00 175.35 174.61 2kmn s SER 81 N -1.44 -0.62 0.10 0.03 1.04 0.19 -4.95 113.70 108.04 2kmn s SER 81 Ca -0.13 0.72 0.00 0.00 0.48 0.00 0.00 55.95 57.02 2kmn s SER 81 Cb -0.10 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.61 2kmn s SER 81 CO -0.00 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.26 2kmn n GLY 82 N 1.08 -3.01 3.14 7.32 0.00 -1.26 0.11 105.19 112.56 2kmn n GLY 82 Ca -0.19 -1.22 -0.33 0.00 0.00 0.00 0.00 46.02 44.28 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 -4.30 2.61 0.27 1.61 8.01 -1.26 0.45 118.70 126.09 2kmn s GLU 83 Ca 0.00 -1.11 0.09 0.00 0.01 0.00 0.00 54.97 53.96 2kmn s GLU 83 Cb 0.00 -2.90 -0.04 0.00 -4.31 0.00 0.00 34.13 26.88 2kmn s GLU 83 CO 0.00 -0.45 0.03 0.95 0.01 0.00 0.00 175.26 175.80 2kmn s THR 84 N 1.23 3.54 -0.19 3.63 -4.23 0.17 -4.84 115.64 114.95 2kmn s THR 84 Ca -0.03 -1.84 -0.06 0.00 -1.18 0.00 0.00 61.69 58.58 2kmn s THR 84 Cb -0.17 -2.92 0.09 0.00 1.34 0.00 0.00 72.50 70.84 2kmn s THR 84 CO -0.06 -0.36 0.39 -0.83 -0.54 0.00 0.00 174.62 173.22 2kmn s GLY 85 N -3.71 -0.33 -0.10 3.99 0.00 -1.26 -0.19 107.32 105.72 2kmn s GLY 85 Ca 0.32 1.34 -0.10 0.00 0.00 0.00 0.00 44.72 46.29 2kmn s GLY 85 CO 0.21 2.38 0.28 -0.42 0.00 0.00 0.00 173.10 175.55 2kmn s ILE 86 N 2.58 -0.00 0.25 0.90 -1.09 -1.15 -4.86 121.20 117.82 2kmn s ILE 86 Ca 0.01 0.00 -0.30 0.00 -2.23 0.00 0.00 60.65 58.13 2kmn s ILE 86 Cb -0.12 -0.39 -0.09 0.00 -1.58 0.00 0.00 42.46 40.27 2kmn s ILE 86 CO -0.13 0.00 1.22 -1.61 -1.23 0.00 0.00 174.94 173.20 2kmn s GLU 87 N 0.16 4.48 0.15 2.79 2.02 -1.26 -2.31 118.70 124.73 2kmn s GLU 87 Ca -0.00 1.97 -0.17 0.00 0.02 0.00 0.00 54.97 56.79 2kmn s GLU 87 Cb -0.02 -3.18 0.04 0.00 0.10 0.00 0.00 34.13 31.07 2kmn s GLU 87 CO 0.00 -0.06 0.47 -1.21 0.02 0.00 0.00 175.26 174.48 2kmn s GLU 88 N -0.88 1.21 0.32 1.61 2.02 -0.46 -4.81 118.70 117.71 2kmn s GLU 88 Ca 0.51 -0.73 0.09 0.00 0.02 0.00 0.00 54.97 54.85 2kmn s GLU 88 Cb -0.35 0.50 -0.06 0.00 0.10 0.00 0.00 34.13 34.32 2kmn s GLU 88 CO 0.42 -0.50 -0.10 0.20 0.02 0.00 0.00 175.26 175.30 2kmn s GLY 89 N -2.82 2.07 -0.03 -1.39 0.00 -1.26 -0.33 107.32 103.55 2kmn s GLY 89 Ca 0.05 -2.02 0.07 0.00 0.00 0.00 0.00 44.72 42.82 2kmn s GLY 89 CO -0.09 -1.98 -0.23 0.00 0.00 0.00 0.00 173.10 170.80 2kmn h LEU 91 N 5.58 0.00 0.08 0.00 -0.00 -1.93 0.73 115.31 119.78 2kmn h LEU 91 Ca -0.42 0.00 -0.28 0.00 -0.00 0.00 0.00 57.88 57.19 2kmn h LEU 91 Cb 1.14 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.81 2kmn h LEU 91 CO 0.48 0.00 -1.22 0.28 -0.00 0.00 0.00 178.44 177.98 2kmn h SER 92 N 0.00 0.57 -3.72 -0.43 0.02 -1.89 -3.45 113.55 104.64 2kmn h SER 92 Ca 0.34 -0.57 -0.49 0.00 -0.84 0.00 0.00 61.79 60.23 2kmn h SER 92 Cb 1.68 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 64.01 2kmn h SER 92 CO -0.00 1.42 0.10 -0.63 -1.14 0.00 0.00 176.83 176.57 2kmn s ILE 93 N -2.82 4.68 0.00 3.27 -1.09 0.26 -0.59 121.20 124.90 2kmn s ILE 93 Ca -0.06 0.93 -0.03 0.00 -2.23 0.00 0.00 60.65 59.26 2kmn s ILE 93 Cb 0.07 -3.61 -0.15 0.00 -1.58 0.00 0.00 42.46 37.18 2kmn s ILE 93 CO 0.90 -0.19 2.35 -0.81 -1.23 0.00 0.00 174.94 175.96 2kmn n PRO 94 N -0.39 1.19 -1.11 2.79 -0.04 -1.26 -4.44 135.00 131.75 2kmn n PRO 94 Ca 0.03 -0.57 -0.04 0.00 -0.04 0.00 0.00 63.50 62.88 2kmn n PRO 94 Cb 0.53 -1.76 -0.02 0.00 -0.04 0.00 0.00 33.50 32.21 2kmn n PRO 94 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2kmn n GLU 95 N 2.62 -0.52 -2.49 0.54 2.13 -1.26 -4.95 120.64 116.71 2kmn n GLU 95 Ca 0.25 0.48 -0.39 0.00 0.66 0.00 0.00 57.16 58.15 2kmn n GLU 95 Cb 0.55 -4.11 -0.03 0.00 0.27 0.00 0.00 31.44 28.12 2kmn n GLU 95 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2kmn s GLN 96 N -1.71 3.47 -0.00 5.31 -0.21 -1.26 -4.83 119.66 120.44 2kmn s GLN 96 Ca 0.00 -1.09 -0.25 0.00 0.02 0.00 0.00 55.36 54.04 2kmn s GLN 96 Cb 0.00 -5.34 -0.05 0.00 1.00 0.00 0.00 33.01 28.63 2kmn s GLN 96 CO 0.00 -2.39 0.76 1.03 -2.12 0.00 0.00 175.29 172.57 2kmn s ARG 97 N 5.20 4.48 0.07 2.91 0.52 -1.25 -4.57 118.95 126.32 2kmn s ARG 97 Ca 0.50 1.03 0.03 0.00 -0.52 0.00 0.00 55.73 56.77 2kmn s ARG 97 Cb -0.01 -3.40 -0.03 0.00 0.52 0.00 0.00 34.95 32.03 2kmn s ARG 97 CO -0.07 0.17 -0.09 0.00 0.02 0.00 0.00 175.30 175.33 2kmn s ALA 98 N 0.36 0.88 -0.28 2.13 0.00 0.55 -4.63 121.76 120.77 2kmn s ALA 98 Ca 0.40 -1.03 -0.29 0.00 0.00 0.00 0.00 51.96 51.04 2kmn s ALA 98 Cb -0.20 0.04 0.00 0.00 0.00 0.00 0.00 23.12 22.97 2kmn s ALA 98 CO 0.22 -0.04 1.27 -1.17 0.00 0.00 0.00 175.76 176.04 2kmn s LEU 99 N -2.12 3.94 -0.10 0.00 0.20 -1.26 -1.35 118.68 117.99 2kmn s LEU 99 Ca -0.01 1.27 -0.00 0.00 0.69 0.00 0.00 54.13 56.09 2kmn s LEU 99 Cb -0.05 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 42.14 2kmn s LEU 99 CO -0.00 -1.01 -0.08 -0.69 -0.29 0.00 0.00 176.35 174.28 2kmn s VAL 100 N 4.16 3.59 -0.11 1.68 1.01 -0.98 -4.78 120.40 124.97 2kmn s VAL 100 Ca 0.55 -0.50 -0.26 0.00 0.00 0.00 0.00 61.98 61.77 2kmn s VAL 100 Cb -0.17 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 2kmn s VAL 100 CO 0.21 0.56 0.82 -2.16 0.00 0.00 0.00 175.10 174.53 2kmn s PRO 101 N -0.35 4.38 0.18 2.72 0.04 -1.25 -2.92 135.00 137.79 2kmn s PRO 101 Ca 0.05 1.05 -0.07 0.00 0.04 0.00 0.00 61.00 62.07 2kmn s PRO 101 Cb -0.12 -3.52 -0.02 0.00 0.04 0.00 0.00 34.50 30.88 2kmn s PRO 101 CO 0.02 -0.18 0.25 -0.98 0.04 0.00 0.00 177.00 176.15 2kmn s ARG 102 N 1.61 1.18 0.66 4.56 3.03 0.73 -4.97 118.95 125.76 2kmn s ARG 102 Ca 0.40 -1.31 -0.16 0.00 2.03 0.00 0.00 55.73 56.70 2kmn s ARG 102 Cb -0.18 0.35 0.00 0.00 -1.03 0.00 0.00 34.95 34.09 2kmn s ARG 102 CO 0.16 -0.42 1.14 0.00 -1.13 0.00 0.00 175.30 175.05 2kmn s ALA 103 N -4.02 2.42 0.08 7.88 0.00 -1.25 0.42 121.76 127.28 2kmn s ALA 103 Ca 0.23 0.67 -0.15 0.00 0.00 0.00 0.00 51.96 52.71 2kmn s ALA 103 Cb 0.04 -3.36 -0.17 0.00 0.00 0.00 0.00 23.12 19.63 2kmn s ALA 103 CO 0.04 -1.35 1.28 1.49 0.00 0.00 0.00 175.76 177.21 2kmn h GLU 104 N 0.12 0.70 -3.85 0.00 4.22 0.58 -3.42 114.58 112.94 2kmn h GLU 104 Ca -0.47 -0.58 -0.25 0.00 0.08 0.00 0.00 59.36 58.14 2kmn h GLU 104 Cb 1.26 0.12 -0.28 0.00 0.50 0.00 0.00 28.75 30.35 2kmn h GLU 104 CO 0.53 1.19 -0.73 0.15 -2.18 0.00 0.00 179.01 177.98 2kmn s LYS 105 N -3.72 0.09 -0.14 1.92 1.02 0.63 -1.00 119.74 118.53 2kmn s LYS 105 Ca -0.11 -0.06 -0.11 0.00 0.02 0.00 0.00 55.97 55.71 2kmn s LYS 105 Cb 0.07 -0.07 0.04 0.00 -0.52 0.00 0.00 37.83 37.35 2kmn s LYS 105 CO 0.88 0.02 0.36 0.14 -0.92 0.00 0.00 175.35 175.83 2kmn s VAL 106 N -0.08 -0.01 -0.18 3.17 -7.23 0.30 0.54 120.40 116.90 2kmn s VAL 106 Ca -0.00 0.04 -0.05 0.00 -1.81 0.00 0.00 61.98 60.15 2kmn s VAL 106 Cb -0.01 -0.52 -0.03 0.00 0.56 0.00 0.00 36.38 36.38 2kmn s VAL 106 CO -0.00 0.02 0.00 -0.54 -0.31 0.00 0.00 175.10 174.27 2kmn s LYS 107 N 0.62 3.72 0.09 4.82 -0.14 0.83 0.40 119.74 130.08 2kmn s LYS 107 Ca -0.03 -0.48 0.02 0.00 -1.36 0.00 0.00 55.97 54.12 2kmn s LYS 107 Cb -0.05 -3.06 -0.04 0.00 -1.68 0.00 0.00 37.83 33.00 2kmn s LYS 107 CO -0.04 0.14 -0.08 0.96 -0.76 0.00 0.00 175.35 175.58 2kmn s ILE 108 N 0.66 0.73 -0.12 2.17 -5.25 0.87 -0.38 121.20 119.88 2kmn s ILE 108 Ca 0.00 -1.67 -0.05 0.00 -0.99 0.00 0.00 60.65 57.94 2kmn s ILE 108 Cb -0.14 -1.36 -0.04 0.00 2.95 0.00 0.00 42.46 43.88 2kmn s ILE 108 CO 0.02 -0.68 0.07 -0.13 -1.79 0.00 0.00 174.94 172.43 2kmn s ARG 109 N -3.05 3.36 0.27 0.37 0.52 0.62 -0.03 118.95 121.00 2kmn s ARG 109 Ca 0.05 -0.27 -0.21 0.00 -0.52 0.00 0.00 55.73 54.78 2kmn s ARG 109 Cb -0.00 -3.04 0.02 0.00 0.52 0.00 0.00 34.95 32.45 2kmn s ARG 109 CO -0.02 0.66 0.75 0.00 0.02 0.00 0.00 175.30 176.70 2kmn s ALA 110 N -0.72 -1.26 0.15 2.13 0.00 0.82 0.86 121.76 123.75 2kmn s ALA 110 Ca 0.12 -0.27 0.11 0.00 0.00 0.00 0.00 51.96 51.91 2kmn s ALA 110 Cb -0.12 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 2kmn s ALA 110 CO 0.03 -1.04 -0.23 -0.48 0.00 0.00 0.00 175.76 174.04 2kmn s LEU 111 N -2.93 2.49 0.58 0.00 0.05 -0.77 0.18 118.68 118.30 2kmn s LEU 111 Ca 0.11 -0.74 -0.07 0.00 0.05 0.00 0.00 54.13 53.48 2kmn s LEU 111 Cb -0.06 -1.31 -0.01 0.00 -2.05 0.00 0.00 46.19 42.77 2kmn s LEU 111 CO 0.07 0.15 0.92 -0.62 -0.55 0.00 0.00 176.35 176.32 2kmn s ASP 112 N -2.36 5.83 0.51 1.48 2.15 -0.98 0.20 116.67 123.50 2kmn s ASP 112 Ca 0.18 0.93 0.23 0.00 0.43 0.00 0.00 52.55 54.32 2kmn s ASP 112 Cb -0.09 -1.98 1.27 0.00 -0.30 0.00 0.00 42.92 41.82 2kmn s ASP 112 CO 0.09 -0.96 1.68 -0.09 -0.17 0.00 0.00 175.17 175.72 2kmn h ARG 113 N -0.17 0.00 0.00 4.34 2.43 -1.92 0.53 114.38 119.59 2kmn h ARG 113 Ca -0.46 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.54 2kmn h ARG 113 Cb 1.23 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.76 2kmn h ARG 113 CO 0.62 0.00 -0.84 -0.44 -1.51 0.00 0.00 179.97 177.80 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 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.13 2kmn h ASP 114 CO 0.00 0.84 0.00 0.61 -1.72 0.00 0.00 179.24 178.97 2kmn n GLY 115 N 1.18 1.45 2.83 2.75 0.00 0.19 -5.10 105.19 108.48 2kmn n GLY 115 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 1.02 -0.24 1.61 1.02 -1.25 -4.90 119.74 116.75 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 -2.34 -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 0.00 175.35 172.86 2kmn s PRO 117 N 1.46 3.90 0.27 -1.68 0.02 -1.26 -2.30 135.00 135.41 2kmn s PRO 117 Ca 0.06 1.50 0.04 0.00 0.02 0.00 0.00 61.00 62.62 2kmn s PRO 117 Cb -0.18 -3.94 -0.06 0.00 0.02 0.00 0.00 34.50 30.35 2kmn s PRO 117 CO -0.17 -1.14 0.01 -0.59 -0.33 0.00 0.00 177.00 174.78 2kmn s PHE 118 N 4.63 1.75 -0.16 6.54 -0.12 0.48 -4.88 117.98 126.22 2kmn s PHE 118 Ca 0.63 -0.91 -0.05 0.00 -0.05 0.00 0.00 56.93 56.55 2kmn s PHE 118 Cb -0.21 -1.05 -0.03 0.00 -0.63 0.00 0.00 43.02 41.09 2kmn s PHE 118 CO 0.25 0.01 -0.01 -1.21 -0.05 0.00 0.00 175.22 174.21 2kmn s GLU 119 N -3.86 3.75 0.00 1.99 8.01 -1.26 -0.13 118.70 127.20 2kmn s GLU 119 Ca 0.32 -0.46 0.05 0.00 0.01 0.00 0.00 54.97 54.89 2kmn s GLU 119 Cb 0.06 -3.00 -0.02 0.00 -4.31 0.00 0.00 34.13 26.87 2kmn s GLU 119 CO 0.12 0.27 -0.17 -0.48 0.01 0.00 0.00 175.26 175.01 2kmn s LEU 120 N 0.32 2.07 -0.22 1.80 2.34 0.96 -4.97 118.68 120.97 2kmn s LEU 120 Ca -0.01 -0.35 -0.16 0.00 0.06 0.00 0.00 54.13 53.66 2kmn s LEU 120 Cb -0.14 -0.83 -0.04 0.00 -0.56 0.00 0.00 46.19 44.62 2kmn s LEU 120 CO 0.02 0.17 0.42 -1.83 -1.06 0.00 0.00 176.35 174.07 2kmn s GLU 121 N -0.60 4.14 -0.08 1.48 -1.05 -1.26 -0.09 118.70 121.23 2kmn s GLU 121 Ca 0.06 0.21 0.03 0.00 -0.15 0.00 0.00 54.97 55.11 2kmn s GLU 121 Cb -0.07 -3.57 -0.02 0.00 -0.44 0.00 0.00 34.13 30.03 2kmn s GLU 121 CO -0.00 -0.12 -0.17 0.00 0.95 0.00 0.00 175.26 175.92 2kmn s ALA 122 N 1.58 2.52 0.24 -0.84 0.00 0.16 -4.94 121.76 120.49 2kmn s ALA 122 Ca 0.19 -0.96 0.06 0.00 0.00 0.00 0.00 51.96 51.25 2kmn s ALA 122 Cb -0.15 -0.98 -0.05 0.00 0.00 0.00 0.00 23.12 21.94 2kmn s ALA 122 CO 0.09 0.41 -0.08 -0.51 0.00 0.00 0.00 175.76 175.67 2kmn s ASP 123 N -0.20 2.54 0.56 0.00 1.11 -1.26 0.11 116.67 119.52 2kmn s ASP 123 Ca -0.01 -1.13 0.00 0.00 0.18 0.00 0.00 52.55 51.59 2kmn s ASP 123 Cb -0.13 -0.13 0.00 0.00 1.07 0.00 0.00 42.92 43.73 2kmn s ASP 123 CO 0.03 -0.31 0.00 0.61 1.18 0.00 0.00 175.17 176.68 2kmn n GLY 124 N -0.48 2.22 0.38 0.21 0.00 -0.17 -1.54 105.19 105.80 2kmn n GLY 124 Ca -0.06 -0.31 0.20 0.00 0.00 0.00 0.00 46.02 45.84 2kmn n GLY 124 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2kmn h LEU 125 N 0.00 0.03 0.15 0.99 5.85 -1.98 0.30 115.31 120.64 2kmn h LEU 125 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2kmn h LEU 125 Cb 0.00 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2kmn h LEU 125 CO 0.00 0.01 -0.07 0.25 -0.34 0.00 0.00 178.44 178.29 2kmn h LEU 126 N 0.03 -0.17 -1.03 2.25 7.12 -1.66 -1.91 115.31 119.95 2kmn h LEU 126 Ca 0.26 -0.37 0.02 0.00 0.13 0.00 0.00 57.88 57.92 2kmn h LEU 126 Cb 1.00 0.04 -0.05 0.00 -0.53 0.00 0.00 40.66 41.12 2kmn h LEU 126 CO -0.01 0.36 0.65 0.00 -0.13 0.00 0.00 178.44 179.31 2kmn h ALA 127 N -0.10 1.32 0.30 1.25 0.00 -0.45 -0.34 119.26 121.25 2kmn h ALA 127 Ca -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2kmn h ALA 127 Cb 0.53 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2kmn h ALA 127 CO 0.03 0.61 -0.14 0.82 0.00 0.00 0.00 179.25 180.57 2kmn h ILE 128 N 1.30 0.70 0.04 0.00 1.08 -0.48 -2.16 117.51 117.99 2kmn h ILE 128 Ca 0.37 -0.61 -0.00 0.00 -0.39 0.00 0.00 64.86 64.23 2kmn h ILE 128 Cb -0.09 1.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.67 2kmn h ILE 128 CO -0.10 0.12 -0.02 0.00 -0.69 0.00 0.00 178.15 177.46 2kmn h ILE 130 N -0.09 1.06 -0.49 0.00 2.10 -1.15 0.16 117.51 119.10 2kmn h ILE 130 Ca -0.01 -0.24 -0.08 0.00 1.08 0.00 0.00 64.86 65.61 2kmn h ILE 130 Cb 0.07 0.31 -0.02 0.00 -1.09 0.00 0.00 36.82 36.10 2kmn h ILE 130 CO 0.01 0.13 -0.04 0.06 -1.08 0.00 0.00 178.15 177.23 2kmn h GLN 131 N 0.69 0.84 -0.29 2.19 3.07 -1.26 -2.41 115.11 117.95 2kmn h GLN 131 Ca 0.23 -0.25 0.00 0.00 0.09 0.00 0.00 58.65 58.72 2kmn h GLN 131 Cb 0.03 -0.08 -0.01 0.00 0.08 0.00 0.00 27.48 27.49 2kmn h GLN 131 CO -0.10 0.87 0.19 1.25 0.09 0.00 0.00 178.83 181.13 2kmn h HIS 132 N 0.78 0.37 -0.81 0.06 2.76 0.14 -1.65 115.15 116.79 2kmn h HIS 132 Ca 0.14 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.33 2kmn h HIS 132 Cb 0.52 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 29.32 2kmn h HIS 132 CO 0.03 0.24 0.53 0.93 -1.30 0.00 0.00 177.93 178.35 2kmn h GLU 133 N 0.39 1.07 -0.55 5.26 4.39 -0.80 0.36 114.58 124.70 2kmn h GLU 133 Ca 0.11 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.77 2kmn h GLU 133 Cb -0.04 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 28.34 2kmn h GLU 133 CO -0.02 0.71 0.32 0.52 -1.16 0.00 0.00 179.01 179.37 2kmn h MET 134 N 1.10 0.60 -0.07 2.33 2.86 -0.91 0.12 114.93 120.95 2kmn h MET 134 Ca 0.29 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.88 2kmn h MET 134 Cb -0.12 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.41 2kmn h MET 134 CO -0.06 0.40 -0.02 -0.44 1.06 0.00 0.00 176.91 177.84 2kmn h ASP 135 N 0.62 0.13 0.14 1.22 3.32 -0.30 -1.99 116.42 119.57 2kmn h ASP 135 Ca 0.23 -0.39 0.01 0.00 0.02 0.00 0.00 57.03 56.90 2kmn h ASP 135 Cb 0.07 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 2kmn h ASP 135 CO -0.12 0.49 -0.16 -0.74 -1.72 0.00 0.00 179.24 176.98 2kmn h HIS 136 N -0.22 -0.43 0.00 4.55 2.76 0.55 0.26 115.15 122.61 2kmn h HIS 136 Ca 0.02 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.14 2kmn h HIS 136 Cb 0.43 0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.56 2kmn h HIS 136 CO 0.06 -0.25 -0.22 1.37 -1.30 0.00 0.00 177.93 177.59 2kmn h LEU 137 N -0.35 0.00 -1.59 0.26 8.10 -0.85 -0.07 115.31 120.82 2kmn h LEU 137 Ca 0.01 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.98 2kmn h LEU 137 Cb 0.34 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.55 2kmn h LEU 137 CO -0.06 0.22 0.02 0.55 -4.11 0.00 0.00 178.44 175.06 2kmn n VAL 138 N -4.11 0.60 -0.45 0.15 3.14 -0.75 -0.08 118.33 116.83 2kmn n VAL 138 Ca -0.02 -0.12 0.00 0.00 -2.96 0.00 0.00 64.34 61.24 2kmn n VAL 138 Cb 0.29 -0.68 0.00 0.00 -1.06 0.00 0.00 33.84 32.38 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 0.18 0.73 3.81 7.55 0.00 0.24 -4.08 105.19 113.62 2kmn n GLY 139 Ca 0.03 0.00 -0.37 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 -0.37 4.23 0.06 1.61 -2.85 0.87 -3.91 119.74 119.38 2kmn s LYS 140 Ca 0.00 0.80 0.03 0.00 -1.00 0.00 0.00 55.97 55.79 2kmn s LYS 140 Cb 0.00 -3.08 -0.03 0.00 -2.06 0.00 0.00 37.83 32.66 2kmn s LYS 140 CO 0.00 0.53 -0.09 -0.51 0.10 0.00 0.00 175.35 175.38 2kmn s LEU 141 N -1.53 2.30 0.35 2.77 2.01 -1.26 -1.73 118.68 121.59 2kmn s LEU 141 Ca 0.36 -0.62 0.08 0.00 0.01 0.00 0.00 54.13 53.95 2kmn s LEU 141 Cb -0.18 -0.22 0.78 0.00 0.01 0.00 0.00 46.19 46.58 2kmn s LEU 141 CO 0.21 -0.21 1.87 2.19 1.01 0.00 0.00 176.35 181.42 2kmn h PHE 142 N 4.24 0.85 -0.50 0.29 -5.15 -1.95 -0.20 116.94 114.52 2kmn h PHE 142 Ca -0.37 0.02 0.15 0.00 -0.20 0.00 0.00 57.97 57.57 2kmn h PHE 142 Cb 1.20 -0.27 -0.02 0.00 0.22 0.00 0.00 35.95 37.08 2kmn h PHE 142 CO 0.64 0.33 0.50 1.98 -2.00 0.00 0.00 178.31 179.75 2kmn h MET 143 N 0.73 0.00 -0.05 6.09 4.05 -1.96 0.23 114.93 124.02 2kmn h MET 143 Ca 0.44 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.88 2kmn h MET 143 Cb 0.66 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.46 2kmn h MET 143 CO -0.20 0.00 0.18 0.22 0.23 0.00 0.00 176.91 177.34 2kmn h ASP 144 N 0.00 0.00 0.00 1.39 3.58 -1.45 -1.71 116.42 118.23 2kmn h ASP 144 Ca 0.24 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.69 2kmn h ASP 144 Cb 1.23 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.28 2kmn h ASP 144 CO -0.00 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.36 2kmn n TYR 145 N -3.21 0.00 -3.14 0.28 9.36 0.79 -5.05 117.16 116.20 2kmn n TYR 145 Ca -0.01 -0.21 -0.35 0.00 3.32 0.00 0.00 57.90 60.64 2kmn n TYR 145 Cb 0.26 -0.02 -0.06 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 -0.42 4.29 0.00 2.98 2.01 -0.64 -5.08 118.68 121.82 2kmn s LEU 146 Ca 0.00 1.35 0.00 0.00 0.01 0.00 0.00 54.13 55.49 2kmn s LEU 146 Cb 0.00 -3.64 0.00 0.00 0.01 0.00 0.00 46.19 42.56 2kmn s LEU 146 CO 0.00 -0.00 0.00 -1.54 1.01 0.00 0.00 176.35 175.82