#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 4.58 0.01 2.46 -7.23 -1.26 -4.33 120.40 114.64 2kmn s VAL 2 Ca 0.00 1.72 -0.00 0.00 -1.81 0.00 0.00 61.98 61.89 2kmn s VAL 2 Cb 0.00 -4.15 0.00 0.00 0.56 0.00 0.00 36.38 32.79 2kmn s VAL 2 CO 0.00 0.41 0.02 0.00 -0.31 0.00 0.00 175.10 175.21 2kmn n LEU 3 N 2.43 0.00 -4.56 1.32 -0.00 -1.26 -4.94 117.00 110.00 2kmn n LEU 3 Ca -0.03 -0.03 -0.43 0.00 -0.00 0.00 0.00 56.01 55.53 2kmn n LEU 3 Cb 0.50 -0.01 -0.04 0.00 -0.00 0.00 0.00 43.42 43.87 2kmn n LEU 3 CO 0.47 -0.51 0.81 -1.58 -0.00 0.00 0.00 177.39 176.58 2kmn s GLN 4 N -2.76 3.49 -0.07 1.47 2.00 -1.26 -5.00 119.66 117.53 2kmn s GLN 4 Ca 0.01 0.08 -0.20 0.00 -2.00 0.00 0.00 55.36 53.25 2kmn s GLN 4 Cb -0.00 -3.97 -0.04 0.00 0.80 0.00 0.00 33.01 29.79 2kmn s GLN 4 CO 0.01 -1.36 0.56 0.08 -0.50 0.00 0.00 175.29 174.08 2kmn s VAL 5 N 3.99 5.07 0.18 1.34 1.01 -1.26 -3.48 120.40 127.26 2kmn s VAL 5 Ca 0.37 1.15 -0.23 0.00 0.00 0.00 0.00 61.98 63.27 2kmn s VAL 5 Cb -0.10 -3.90 -0.08 0.00 0.00 0.00 0.00 36.38 32.30 2kmn s VAL 5 CO 0.25 0.34 0.74 -0.76 0.00 0.00 0.00 175.10 175.67 2kmn s LEU 6 N 0.36 4.49 0.04 3.92 1.43 0.14 -4.91 118.68 124.16 2kmn s LEU 6 Ca 0.30 1.54 0.09 0.00 -1.03 0.00 0.00 54.13 55.03 2kmn s LEU 6 Cb -0.17 -3.38 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 2kmn s LEU 6 CO 0.14 0.15 -0.26 -1.00 0.23 0.00 0.00 176.35 175.61 2kmn s HIS 7 N -1.29 2.34 0.28 0.29 3.76 -1.26 -3.94 115.29 115.46 2kmn s HIS 7 Ca 0.38 -0.40 -0.30 0.00 -0.15 0.00 0.00 55.06 54.58 2kmn s HIS 7 Cb -0.20 -1.40 -0.11 0.00 1.11 0.00 0.00 32.58 31.98 2kmn s HIS 7 CO 0.24 0.13 1.61 0.42 -0.85 0.00 0.00 174.74 176.28 2kmn s ILE 8 N -0.81 2.09 0.16 0.60 -1.09 0.12 -3.50 121.20 118.77 2kmn s ILE 8 Ca 0.12 0.07 -0.27 0.00 -2.23 0.00 0.00 60.65 58.35 2kmn s ILE 8 Cb -0.10 -3.05 -0.08 0.00 -1.58 0.00 0.00 42.46 37.66 2kmn s ILE 8 CO 0.02 0.01 0.82 -2.16 -1.23 0.00 0.00 174.94 172.41 2kmn s PRO 9 N -0.22 4.63 -0.23 2.79 0.04 -1.26 -4.84 135.00 135.91 2kmn s PRO 9 Ca 0.65 1.24 -0.12 0.00 0.04 0.00 0.00 61.00 62.80 2kmn s PRO 9 Cb -0.48 -3.29 0.07 0.00 0.04 0.00 0.00 34.50 30.85 2kmn s PRO 9 CO 0.45 0.50 0.55 -0.51 0.04 0.00 0.00 177.00 178.03 2kmn s ASP 10 N -0.93 -0.73 0.19 6.66 1.11 -1.23 -5.05 116.67 116.69 2kmn s ASP 10 Ca 0.38 1.22 -0.12 0.00 0.18 0.00 0.00 52.55 54.21 2kmn s ASP 10 Cb -0.23 1.16 0.13 0.00 1.07 0.00 0.00 42.92 45.05 2kmn s ASP 10 CO 0.27 -0.22 1.82 1.05 1.18 0.00 0.00 175.17 179.27 2kmn h GLU 11 N 7.17 0.65 0.00 8.23 4.11 -1.95 -1.98 114.58 130.81 2kmn h GLU 11 Ca -0.32 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.07 2kmn h GLU 11 Cb 1.20 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 2kmn h GLU 11 CO 0.21 0.43 -0.01 0.00 0.07 0.00 0.00 179.01 179.71 2kmn h ARG 12 N 0.67 0.00 0.02 1.06 3.08 -1.93 0.84 114.38 118.11 2kmn h ARG 12 Ca 0.23 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.08 2kmn h ARG 12 Cb 0.04 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2kmn h ARG 12 CO -0.11 0.01 -0.96 -0.07 -1.07 0.00 0.00 179.97 177.77 2kmn h LEU 13 N 0.00 0.09 -1.56 3.04 3.38 -1.55 -2.52 115.31 116.18 2kmn h LEU 13 Ca -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2kmn h LEU 13 Cb 0.03 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2kmn h LEU 13 CO 0.00 1.00 0.00 0.54 0.09 0.00 0.00 178.44 180.07 2kmn n ARG 14 N -3.48 1.99 -3.23 1.13 5.12 0.18 -3.39 116.66 114.99 2kmn n ARG 14 Ca -0.02 -1.53 -0.36 0.00 -1.93 0.00 0.00 57.85 54.01 2kmn n ARG 14 Cb 0.89 -1.36 -0.06 0.00 -1.16 0.00 0.00 32.46 30.77 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 -1.48 4.15 -0.69 5.56 2.20 0.27 -4.28 119.74 125.46 2kmn s LYS 15 Ca 0.30 0.71 -0.25 0.00 -0.36 0.00 0.00 55.97 56.37 2kmn s LYS 15 Cb 0.16 -2.99 0.05 0.00 -1.51 0.00 0.00 37.83 33.54 2kmn s LYS 15 CO 0.22 0.49 1.12 0.08 -0.36 0.00 0.00 175.35 176.90 2kmn s VAL 16 N -1.39 4.03 0.47 4.02 1.01 -1.25 -0.23 120.40 127.06 2kmn s VAL 16 Ca 0.38 0.05 -0.24 0.00 0.00 0.00 0.00 61.98 62.16 2kmn s VAL 16 Cb -0.17 -4.80 -0.08 0.00 0.00 0.00 0.00 36.38 31.34 2kmn s VAL 16 CO 0.20 -1.64 1.35 0.00 0.00 0.00 0.00 175.10 175.01 2kmn n ALA 17 N 8.53 1.65 -2.87 5.51 0.00 -0.40 -4.89 120.51 128.04 2kmn n ALA 17 Ca -0.00 0.21 -0.34 0.00 0.00 0.00 0.00 53.44 53.31 2kmn n ALA 17 Cb 0.47 -2.34 -0.12 0.00 0.00 0.00 0.00 19.45 17.47 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 -2.49 3.47 -0.34 0.00 2.36 -1.26 -4.33 119.74 117.15 2kmn s LYS 18 Ca 0.64 -0.51 -0.29 0.00 -2.55 0.00 0.00 55.97 53.27 2kmn s LYS 18 Cb -0.46 -2.86 0.02 0.00 -1.05 0.00 0.00 37.83 33.48 2kmn s LYS 18 CO 0.55 0.35 1.07 -1.25 1.55 0.00 0.00 175.35 177.62 2kmn s PRO 19 N 0.06 4.02 0.41 4.03 0.04 -1.26 -1.18 135.00 141.11 2kmn s PRO 19 Ca 0.00 0.99 -0.25 0.00 0.04 0.00 0.00 61.00 61.78 2kmn s PRO 19 Cb -0.13 -3.76 -0.08 0.00 0.04 0.00 0.00 34.50 30.57 2kmn s PRO 19 CO 0.03 -0.95 1.17 0.08 0.04 0.00 0.00 177.00 177.37 2kmn s VAL 20 N 3.71 3.12 0.61 -0.36 1.01 -1.26 -4.91 120.40 122.32 2kmn s VAL 20 Ca 0.45 0.93 0.36 0.00 0.00 0.00 0.00 61.98 63.72 2kmn s VAL 20 Cb -0.12 -3.51 0.39 0.00 0.00 0.00 0.00 36.38 33.14 2kmn s VAL 20 CO 0.17 0.07 2.30 -0.33 0.00 0.00 0.00 175.10 177.31 2kmn h GLU 21 N 2.54 0.00 -1.94 2.72 3.07 -2.02 -3.43 114.58 115.51 2kmn h GLU 21 Ca -0.49 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.35 2kmn h GLU 21 Cb 1.24 0.00 -0.22 0.00 -0.84 0.00 0.00 28.75 28.93 2kmn h GLU 21 CO 0.62 0.01 0.18 -2.00 -1.40 0.00 0.00 179.01 176.42 2kmn s GLU 22 N -4.39 0.80 -0.28 2.33 2.12 -1.26 -5.13 118.70 112.87 2kmn s GLU 22 Ca -0.05 0.92 -0.26 0.00 0.36 0.00 0.00 54.97 55.94 2kmn s GLU 22 Cb 0.14 0.39 0.01 0.00 0.26 0.00 0.00 34.13 34.93 2kmn s GLU 22 CO 0.49 -0.10 0.93 0.08 -0.54 0.00 0.00 175.26 176.12 2kmn s VAL 23 N 0.31 4.69 0.00 3.70 1.01 -1.26 -5.02 120.40 123.83 2kmn s VAL 23 Ca 0.00 1.59 0.00 0.00 0.00 0.00 0.00 61.98 63.57 2kmn s VAL 23 Cb -0.05 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.08 2kmn s VAL 23 CO 0.00 -0.28 0.00 -0.46 0.00 0.00 0.00 175.10 174.37 2kmn n ASN 24 N 6.40 0.58 0.18 3.32 0.23 -1.26 -4.95 115.26 119.75 2kmn n ASN 24 Ca 0.08 -0.87 0.05 0.00 -0.53 0.00 0.00 54.58 53.32 2kmn n ASN 24 Cb 0.47 0.00 0.30 0.00 -2.08 0.00 0.00 39.78 38.47 2kmn n ASN 24 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kmn h ALA 25 N 0.50 0.94 -0.19 -2.53 0.00 -1.99 -1.80 119.26 114.20 2kmn h ALA 25 Ca 0.00 -0.35 -0.21 0.00 0.00 0.00 0.00 54.91 54.35 2kmn h ALA 25 Cb 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.74 2kmn h ALA 25 CO 0.00 0.48 -0.71 0.93 0.00 0.00 0.00 179.25 179.96 2kmn h GLU 26 N 0.00 0.81 -0.25 0.00 4.39 -1.99 -2.28 114.58 115.26 2kmn h GLU 26 Ca -0.00 -0.62 -0.04 0.00 0.34 0.00 0.00 59.36 59.04 2kmn h GLU 26 Cb 0.96 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 2kmn h GLU 26 CO 0.05 1.23 0.02 0.82 -1.16 0.00 0.00 179.01 179.97 2kmn h ILE 27 N 0.56 1.24 -0.98 3.13 2.04 -1.90 -2.07 117.51 119.52 2kmn h ILE 27 Ca -0.04 -0.85 0.07 0.00 1.00 0.00 0.00 64.86 65.04 2kmn h ILE 27 Cb 1.33 1.31 -0.07 0.00 -0.74 0.00 0.00 36.82 38.65 2kmn h ILE 27 CO 0.15 0.27 0.63 1.56 0.00 0.00 0.00 178.15 180.76 2kmn h GLN 28 N 0.23 1.10 -0.81 2.37 4.20 -1.32 -0.25 115.11 120.63 2kmn h GLN 28 Ca 0.07 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2kmn h GLN 28 Cb 0.38 -0.25 -0.04 0.00 0.30 0.00 0.00 27.48 27.87 2kmn h GLN 28 CO 0.01 0.73 0.45 0.00 -0.67 0.00 0.00 178.83 179.35 2kmn h ARG 29 N 1.14 1.12 -0.00 1.46 2.47 -1.19 0.14 114.38 119.52 2kmn h ARG 29 Ca 0.43 -0.13 0.00 0.00 -1.26 0.00 0.00 59.98 59.02 2kmn h ARG 29 Cb 0.19 -0.22 -0.00 0.00 -1.65 0.00 0.00 29.97 28.28 2kmn h ARG 29 CO -0.18 0.82 -0.01 0.82 0.56 0.00 0.00 179.97 181.99 2kmn h ILE 30 N 1.12 0.97 -0.32 2.04 2.04 -0.38 -2.11 117.51 120.88 2kmn h ILE 30 Ca 0.28 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 66.07 2kmn h ILE 30 Cb 0.02 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 2kmn h ILE 30 CO -0.05 0.00 -0.11 0.58 0.00 0.00 0.00 178.15 178.57 2kmn h VAL 31 N -0.02 1.29 -0.88 1.67 2.07 -0.95 -0.86 116.25 118.57 2kmn h VAL 31 Ca 0.01 -1.19 0.11 0.00 0.82 0.00 0.00 66.70 66.45 2kmn h VAL 31 Cb 0.02 1.40 -0.08 0.00 -1.52 0.00 0.00 31.29 31.11 2kmn h VAL 31 CO -0.01 0.38 0.51 0.44 0.02 0.00 0.00 177.57 178.91 2kmn h ASP 32 N 0.40 0.71 0.62 0.57 3.32 -0.65 0.27 116.42 121.67 2kmn h ASP 32 Ca 0.08 0.06 -0.16 0.00 0.02 0.00 0.00 57.03 57.02 2kmn h ASP 32 Cb 0.62 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 2kmn h ASP 32 CO 0.04 0.38 -0.74 0.44 -1.72 0.00 0.00 179.24 177.64 2kmn h ASP 33 N 0.81 0.11 -0.29 6.45 3.32 -1.32 -2.61 116.42 122.89 2kmn h ASP 33 Ca 0.44 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.41 2kmn h ASP 33 Cb 0.46 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2kmn h ASP 33 CO -0.28 0.81 0.19 0.24 -1.72 0.00 0.00 179.24 178.48 2kmn h MET 34 N 0.06 0.38 -0.23 3.56 2.86 0.98 0.67 114.93 123.22 2kmn h MET 34 Ca -0.02 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.51 2kmn h MET 34 Cb 1.30 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.87 2kmn h MET 34 CO 0.10 0.27 -0.19 0.27 1.06 0.00 0.00 176.91 178.43 2kmn h PHE 35 N 0.38 0.63 -0.79 -0.22 -5.15 -1.32 0.16 116.94 110.63 2kmn h PHE 35 Ca 0.10 -0.18 0.15 0.00 -0.20 0.00 0.00 57.97 57.85 2kmn h PHE 35 Cb -0.03 -0.14 -0.10 0.00 0.22 0.00 0.00 35.95 35.91 2kmn h PHE 35 CO -0.05 0.85 0.34 0.93 -2.00 0.00 0.00 178.31 178.37 2kmn h GLU 36 N 0.23 0.46 0.51 6.09 4.39 -1.07 0.19 114.58 125.38 2kmn h GLU 36 Ca 0.04 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 2kmn h GLU 36 Cb 0.72 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 2kmn h GLU 36 CO 0.05 0.31 -0.24 1.15 -1.16 0.00 0.00 179.01 179.11 2kmn h THR 37 N 0.48 0.00 -0.92 1.13 2.02 0.53 -2.22 112.91 113.93 2kmn h THR 37 Ca 0.44 -0.50 0.25 0.00 0.77 0.00 0.00 66.41 67.37 2kmn h THR 37 Cb 0.68 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.96 2kmn h THR 37 CO -0.41 0.00 0.39 -0.03 0.37 0.00 0.00 175.52 175.84 2kmn h MET 38 N -1.18 0.32 -0.31 6.66 1.85 0.21 1.38 114.93 123.86 2kmn h MET 38 Ca -0.07 -0.02 -0.12 0.00 -0.61 0.00 0.00 59.70 58.88 2kmn h MET 38 Cb 0.52 -0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.48 2kmn h MET 38 CO 0.11 0.21 -0.28 1.88 -0.40 0.00 0.00 176.91 178.44 2kmn h TYR 39 N 0.32 0.87 -0.01 1.39 -1.99 -0.76 0.62 116.97 117.41 2kmn h TYR 39 Ca 0.61 -0.25 0.00 0.00 2.00 0.00 0.00 58.73 61.08 2kmn h TYR 39 Cb 1.24 -0.19 -0.00 0.00 2.00 0.00 0.00 36.73 39.78 2kmn h TYR 39 CO -0.14 1.01 0.01 0.00 -0.00 0.00 0.00 178.16 179.03 2kmn h ALA 40 N 0.72 1.85 0.00 3.88 0.00 0.21 1.13 119.26 127.05 2kmn h ALA 40 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2kmn h ALA 40 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2kmn h ALA 40 CO 0.07 -0.02 -0.26 -1.91 0.00 0.00 0.00 179.25 177.13 2kmn n GLU 41 N -4.30 0.05 -1.84 0.00 4.07 0.26 -4.90 120.64 113.98 2kmn n GLU 41 Ca -0.03 0.02 -0.17 0.00 -0.06 0.00 0.00 57.16 56.93 2kmn n GLU 41 Cb 0.10 -1.54 -0.05 0.00 -0.06 0.00 0.00 31.44 29.90 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 -1.25 -2.67 5.31 -0.58 0.39 -4.97 120.64 115.26 2kmn n GLU 42 Ca 0.06 0.98 -0.39 0.00 -0.42 0.00 0.00 57.16 57.39 2kmn n GLU 42 Cb 0.35 -5.29 -0.05 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 -2.58 2.96 0.00 0.62 0.00 0.20 -4.94 107.32 103.58 2kmn s GLY 43 Ca 0.00 0.66 0.29 0.00 0.00 0.00 0.00 44.72 45.68 2kmn s GLY 43 CO 0.00 1.18 2.07 1.39 0.00 0.00 0.00 173.10 177.74 2kmn n ILE 44 N 0.92 0.03 0.00 0.90 2.08 -1.26 -4.41 119.36 117.62 2kmn n ILE 44 Ca 0.00 0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.32 2kmn n ILE 44 Cb 0.48 -0.54 0.00 0.00 -0.75 0.00 0.00 39.64 38.83 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 0.97 1.17 3.14 7.39 0.00 -1.26 0.22 105.19 116.81 2kmn n GLY 45 Ca 0.19 0.21 -0.26 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.20 0.99 2.96 0.05 -4.93 118.68 119.48 2kmn s LEU 46 Ca 0.00 -0.36 -0.11 0.00 -0.22 0.00 0.00 54.13 53.45 2kmn s LEU 46 Cb 0.00 -0.98 -0.05 0.00 0.50 0.00 0.00 46.19 45.66 2kmn s LEU 46 CO 0.00 0.15 0.15 0.00 -1.32 0.00 0.00 176.35 175.33 2kmn s ALA 47 N 0.05 3.68 0.12 5.97 0.00 -1.26 -1.33 121.76 128.99 2kmn s ALA 47 Ca -0.04 -0.66 -0.10 0.00 0.00 0.00 0.00 51.96 51.16 2kmn s ALA 47 Cb -0.12 -2.20 0.12 0.00 0.00 0.00 0.00 23.12 20.92 2kmn s ALA 47 CO 0.02 0.15 0.83 0.00 0.00 0.00 0.00 175.76 176.76 2kmn n ALA 48 N 3.53 -0.08 -0.22 0.00 0.00 0.15 0.95 120.51 124.84 2kmn n ALA 48 Ca -0.15 0.53 0.15 0.00 0.00 0.00 0.00 53.44 53.97 2kmn n ALA 48 Cb 0.52 -0.23 0.47 0.00 0.00 0.00 0.00 19.45 20.21 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 0.77 -0.45 0.00 1.35 -1.75 0.32 112.91 113.15 2kmn h THR 49 Ca 0.18 -0.17 -0.09 0.00 -0.55 0.00 0.00 66.41 65.78 2kmn h THR 49 Cb 0.31 0.23 -0.02 0.00 -1.73 0.00 0.00 68.15 66.94 2kmn h THR 49 CO -0.53 0.09 -0.10 1.56 -0.25 0.00 0.00 175.52 176.30 2kmn h GLN 50 N 0.50 0.80 -0.37 4.72 4.20 0.29 -2.13 115.11 123.12 2kmn h GLN 50 Ca 0.43 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2kmn h GLN 50 Cb 0.90 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.61 2kmn h GLN 50 CO -0.17 0.87 0.00 1.33 -0.67 0.00 0.00 178.83 180.19 2kmn n VAL 51 N -4.17 0.44 -2.15 -0.54 0.24 0.10 0.24 118.33 112.49 2kmn n VAL 51 Ca 0.02 -0.35 -0.01 0.00 -2.04 0.00 0.00 64.34 61.96 2kmn n VAL 51 Cb 0.36 0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.76 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 0.20 -1.49 -3.91 -1.34 2.03 -0.75 -4.28 116.55 107.01 2kmn n ASP 52 Ca 0.08 -0.01 -0.30 0.00 0.52 0.00 0.00 54.79 55.09 2kmn n ASP 52 Cb 0.28 -0.73 -0.16 0.00 -0.72 0.00 0.00 41.12 39.79 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 -2.28 1.33 -1.25 5.18 -5.25 -0.47 -4.98 121.20 113.48 2kmn s ILE 53 Ca 0.01 -0.98 -0.13 0.00 -0.99 0.00 0.00 60.65 58.56 2kmn s ILE 53 Cb -0.00 -1.58 -0.06 0.00 2.95 0.00 0.00 42.46 43.77 2kmn s ILE 53 CO 0.01 -0.03 2.35 0.00 -1.79 0.00 0.00 174.94 175.48 2kmn n HIS 54 N 4.76 2.42 -3.68 1.37 1.44 -1.26 -2.86 115.22 117.42 2kmn n HIS 54 Ca -0.12 -2.56 -0.11 0.00 -2.01 0.00 0.00 57.72 52.92 2kmn n HIS 54 Cb 0.46 -2.18 -0.09 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 3.32 0.57 -0.32 -1.40 -0.21 -1.26 -4.10 119.66 116.25 2kmn s GLN 55 Ca 0.54 0.86 -0.28 0.00 0.02 0.00 0.00 55.36 56.50 2kmn s GLN 55 Cb 0.14 0.16 -0.30 0.00 1.00 0.00 0.00 33.01 34.01 2kmn s GLN 55 CO -0.03 -0.12 1.73 0.54 -2.12 0.00 0.00 175.29 175.29 2kmn n ARG 56 N 3.61 0.49 -4.14 2.91 1.74 -0.33 -4.50 116.66 116.44 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 0.57 -2.74 -0.14 0.00 -1.02 0.00 0.00 32.46 29.13 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 7.11 3.22 0.05 0.55 -1.09 -1.26 0.91 121.20 130.68 2kmn s ILE 57 Ca 0.66 -0.56 0.06 0.00 -2.23 0.00 0.00 60.65 58.58 2kmn s ILE 57 Cb 0.13 -2.43 -0.02 0.00 -1.58 0.00 0.00 42.46 38.56 2kmn s ILE 57 CO 0.27 0.46 -0.16 0.27 -1.23 0.00 0.00 174.94 174.55 2kmn s ILE 58 N 1.15 1.27 -0.02 2.92 -5.25 -0.10 0.33 121.20 121.50 2kmn s ILE 58 Ca 0.02 -1.09 0.04 0.00 -0.99 0.00 0.00 60.65 58.63 2kmn s ILE 58 Cb -0.14 -1.14 -0.01 0.00 2.95 0.00 0.00 42.46 44.12 2kmn s ILE 58 CO -0.02 0.03 -0.15 0.68 -1.79 0.00 0.00 174.94 173.69 2kmn s VAL 59 N -0.88 1.22 0.13 8.37 -7.23 -0.44 -0.24 120.40 121.33 2kmn s VAL 59 Ca 0.03 -0.65 0.09 0.00 -1.81 0.00 0.00 61.98 59.64 2kmn s VAL 59 Cb -0.08 -1.03 -0.04 0.00 0.56 0.00 0.00 36.38 35.79 2kmn s VAL 59 CO 0.02 0.35 -0.17 -0.63 -0.31 0.00 0.00 175.10 174.35 2kmn s ILE 60 N -0.24 2.87 -0.05 -0.62 -1.09 0.26 -0.77 121.20 121.56 2kmn s ILE 60 Ca 0.03 -1.53 0.09 0.00 -2.23 0.00 0.00 60.65 57.01 2kmn s ILE 60 Cb -0.07 -2.33 0.16 0.00 -1.58 0.00 0.00 42.46 38.64 2kmn s ILE 60 CO 0.00 0.07 1.08 -0.67 -1.23 0.00 0.00 174.94 174.19 2kmn n ASP 61 N 0.70 0.93 -4.55 3.58 2.03 0.59 -0.64 116.55 119.18 2kmn n ASP 61 Ca -0.15 -2.45 -0.41 0.00 0.52 0.00 0.00 54.79 52.30 2kmn n ASP 61 Cb 0.53 -0.30 -0.08 0.00 -0.72 0.00 0.00 41.12 40.55 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 5.06 -0.30 5.18 1.01 -1.04 -4.77 120.40 124.46 2kmn s VAL 62 Ca 0.16 0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.34 2kmn s VAL 62 Cb 0.15 -3.93 -0.10 0.00 0.00 0.00 0.00 36.38 32.50 2kmn s VAL 62 CO -0.01 -0.20 1.24 -1.54 0.00 0.00 0.00 175.10 174.59 2kmn n SER 63 N 5.64 -1.65 0.26 3.32 3.41 -1.26 -4.68 113.62 118.66 2kmn n SER 63 Ca -0.06 -1.02 0.14 0.00 -0.26 0.00 0.00 58.87 57.68 2kmn n SER 63 Cb 0.49 -0.52 0.64 0.00 -0.26 0.00 0.00 64.21 64.56 2kmn n SER 63 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2kmn h GLU 64 N 8.70 0.00 0.00 4.33 4.22 -1.92 -3.47 114.58 126.43 2kmn h GLU 64 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.45 2kmn h GLU 64 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2kmn h GLU 64 CO 1.09 0.10 0.00 -1.71 -2.18 0.00 0.00 179.01 176.30 2kmn n ASN 65 N -3.27 0.00 0.05 1.04 2.85 -1.26 -5.05 115.26 109.62 2kmn n ASN 65 Ca -0.00 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.37 2kmn n ASN 65 Cb 0.33 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.28 2kmn n ASN 65 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 2kmn h ARG 66 N 0.00 -0.22 -5.41 1.20 2.47 -2.01 -3.44 114.38 106.98 2kmn h ARG 66 Ca 0.00 0.01 -0.60 0.00 -1.26 0.00 0.00 59.98 58.14 2kmn h ARG 66 Cb 0.00 0.05 -0.11 0.00 -1.65 0.00 0.00 29.97 28.26 2kmn h ARG 66 CO 0.00 0.19 -0.40 -0.51 0.56 0.00 0.00 179.97 179.81 2kmn s ASP 67 N -5.46 6.34 -1.25 7.04 1.11 -1.26 -5.03 116.67 118.17 2kmn s ASP 67 Ca -0.12 0.39 -0.14 0.00 0.18 0.00 0.00 52.55 52.86 2kmn s ASP 67 Cb 0.00 -2.14 0.14 0.00 1.07 0.00 0.00 42.92 41.99 2kmn s ASP 67 CO 0.43 0.14 1.59 -0.62 1.18 0.00 0.00 175.17 177.90 2kmn n GLU 68 N 3.49 3.33 -3.32 8.23 1.02 -1.26 -4.55 120.64 127.58 2kmn n GLU 68 Ca -0.14 -3.62 -0.20 0.00 -0.02 0.00 0.00 57.16 53.18 2kmn n GLU 68 Cb 0.52 -3.16 -0.08 0.00 -0.02 0.00 0.00 31.44 28.70 2kmn n GLU 68 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2kmn s ARG 69 N 2.19 0.74 -0.15 3.49 3.52 -1.26 -4.85 118.95 122.63 2kmn s ARG 69 Ca 0.46 -1.28 -0.06 0.00 -0.13 0.00 0.00 55.73 54.72 2kmn s ARG 69 Cb 0.01 -0.92 -0.04 0.00 -1.56 0.00 0.00 34.95 32.44 2kmn s ARG 69 CO 0.02 -1.26 0.04 -0.51 -0.81 0.00 0.00 175.30 172.78 2kmn s LEU 70 N 0.96 3.75 -0.03 -0.88 1.43 0.19 -5.00 118.68 119.10 2kmn s LEU 70 Ca 0.22 0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.45 2kmn s LEU 70 Cb -0.10 -1.92 0.01 0.00 0.03 0.00 0.00 46.19 44.21 2kmn s LEU 70 CO -0.06 0.25 -0.05 0.54 0.23 0.00 0.00 176.35 177.26 2kmn s VAL 71 N -0.10 0.48 -0.00 -1.59 0.11 -1.26 0.90 120.40 118.93 2kmn s VAL 71 Ca 0.06 -0.15 0.00 0.00 -2.93 0.00 0.00 61.98 58.97 2kmn s VAL 71 Cb -0.12 -0.48 -0.00 0.00 -1.53 0.00 0.00 36.38 34.25 2kmn s VAL 71 CO 0.01 0.19 -0.01 -0.76 -3.33 0.00 0.00 175.10 171.20 2kmn s LEU 72 N 0.57 1.98 -0.09 2.54 1.02 0.67 -4.34 118.68 121.03 2kmn s LEU 72 Ca -0.07 -0.02 0.04 0.00 0.02 0.00 0.00 54.13 54.10 2kmn s LEU 72 Cb -0.11 -0.07 -0.01 0.00 0.02 0.00 0.00 46.19 46.03 2kmn s LEU 72 CO -0.00 0.01 -0.22 -0.63 0.02 0.00 0.00 176.35 175.53 2kmn s ILE 73 N -0.01 2.25 -1.48 -0.59 -1.09 0.49 -0.92 121.20 119.85 2kmn s ILE 73 Ca 0.00 -0.97 -0.13 0.00 -2.23 0.00 0.00 60.65 57.32 2kmn s ILE 73 Cb -0.01 -1.86 0.09 0.00 -1.58 0.00 0.00 42.46 39.11 2kmn s ILE 73 CO -0.00 0.56 0.73 0.59 -1.23 0.00 0.00 174.94 175.59 2kmn n ASN 74 N 3.24 -4.16 -4.61 3.58 3.02 0.26 -2.08 115.26 114.52 2kmn n ASN 74 Ca -0.18 -0.65 -0.36 0.00 -0.03 0.00 0.00 54.58 53.36 2kmn n ASN 74 Cb 0.53 -3.38 0.08 0.00 -0.61 0.00 0.00 39.78 36.40 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 -4.21 0.59 -4.06 3.52 -0.02 -1.26 -4.82 135.00 124.74 2kmn n PRO 75 Ca 0.02 0.25 -0.14 0.00 -2.02 0.00 0.00 63.50 61.62 2kmn n PRO 75 Cb 0.53 -2.19 -0.13 0.00 -0.02 0.00 0.00 33.50 31.68 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 -3.17 0.35 0.11 -0.52 -1.05 0.18 -4.95 118.70 109.67 2kmn s GLU 76 Ca 0.74 -0.32 -0.29 0.00 -0.15 0.00 0.00 54.97 54.95 2kmn s GLU 76 Cb -0.36 -0.25 -0.06 0.00 -0.44 0.00 0.00 34.13 33.01 2kmn s GLU 76 CO 0.50 0.06 0.91 -1.17 0.95 0.00 0.00 175.26 176.51 2kmn s LEU 77 N -0.56 4.51 -0.10 1.83 0.20 -1.26 -0.30 118.68 123.00 2kmn s LEU 77 Ca -0.03 1.74 0.03 0.00 0.69 0.00 0.00 54.13 56.55 2kmn s LEU 77 Cb -0.04 -3.51 -0.08 0.00 -0.43 0.00 0.00 46.19 42.14 2kmn s LEU 77 CO -0.00 -0.01 -0.06 0.18 -0.29 0.00 0.00 176.35 176.17 2kmn n LEU 78 N 2.59 2.19 -3.47 -0.68 4.32 0.92 -4.91 117.00 117.96 2kmn n LEU 78 Ca 0.01 -0.04 -0.14 0.00 -0.02 0.00 0.00 56.01 55.82 2kmn n LEU 78 Cb 0.49 -0.21 -0.04 0.00 -1.62 0.00 0.00 43.42 42.04 2kmn n LEU 78 CO 0.50 0.55 0.45 -0.70 -1.22 0.00 0.00 177.39 176.97 2kmn s GLU 79 N -2.20 1.13 0.02 3.23 2.12 -0.48 -4.91 118.70 117.61 2kmn s GLU 79 Ca -0.11 -0.18 -0.12 0.00 0.36 0.00 0.00 54.97 54.92 2kmn s GLU 79 Cb 0.03 0.53 0.01 0.00 0.26 0.00 0.00 34.13 34.96 2kmn s GLU 79 CO 0.27 -0.45 0.25 -1.59 -0.54 0.00 0.00 175.26 173.19 2kmn s LYS 80 N -2.69 0.70 -0.13 4.30 -2.85 -1.26 -0.44 119.74 117.37 2kmn s LYS 80 Ca -0.03 -0.47 -0.28 0.00 -1.00 0.00 0.00 55.97 54.19 2kmn s LYS 80 Cb -0.01 0.30 0.07 0.00 -2.06 0.00 0.00 37.83 36.13 2kmn s LYS 80 CO -0.04 -0.20 0.68 -1.54 0.10 0.00 0.00 175.35 174.35 2kmn s SER 81 N -1.82 -0.68 0.23 0.03 1.04 0.75 -4.95 113.70 108.31 2kmn s SER 81 Ca -0.08 0.96 0.00 0.00 0.48 0.00 0.00 55.95 57.31 2kmn s SER 81 Cb -0.03 0.86 0.00 0.00 0.10 0.00 0.00 66.02 66.95 2kmn s SER 81 CO -0.01 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.34 2kmn n GLY 82 N 1.57 -2.09 2.87 7.32 0.00 -1.26 0.85 105.19 114.44 2kmn n GLY 82 Ca -0.17 -1.31 -0.15 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.34 0.19 0.31 1.61 2.02 -1.26 -1.77 118.70 117.47 2kmn s GLU 83 Ca 0.00 0.46 0.02 0.00 0.02 0.00 0.00 54.97 55.47 2kmn s GLU 83 Cb 0.00 -0.65 -0.03 0.00 0.10 0.00 0.00 34.13 33.54 2kmn s GLU 83 CO 0.00 -0.51 0.49 0.95 0.02 0.00 0.00 175.26 176.21 2kmn s THR 84 N 2.39 5.15 -0.29 3.63 -4.23 0.29 -4.82 115.64 117.76 2kmn s THR 84 Ca 0.06 -0.61 -0.02 0.00 -1.18 0.00 0.00 61.69 59.93 2kmn s THR 84 Cb -0.14 -3.86 0.10 0.00 1.34 0.00 0.00 72.50 69.93 2kmn s THR 84 CO -0.11 -0.49 0.11 -0.83 -0.54 0.00 0.00 174.62 172.76 2kmn s GLY 85 N -4.00 0.79 -0.07 3.99 0.00 -1.26 -2.19 107.32 104.57 2kmn s GLY 85 Ca 0.38 -1.34 -0.06 0.00 0.00 0.00 0.00 44.72 43.70 2kmn s GLY 85 CO 0.34 1.80 0.19 -0.42 0.00 0.00 0.00 173.10 175.00 2kmn s ILE 86 N 1.84 -0.01 0.36 0.90 -1.09 -1.25 -4.90 121.20 117.05 2kmn s ILE 86 Ca 0.09 0.05 -0.26 0.00 -2.23 0.00 0.00 60.65 58.29 2kmn s ILE 86 Cb -0.17 -0.28 -0.09 0.00 -1.58 0.00 0.00 42.46 40.34 2kmn s ILE 86 CO -0.29 0.02 1.11 -1.61 -1.23 0.00 0.00 174.94 172.94 2kmn s GLU 87 N 0.44 4.28 0.21 2.79 2.02 -1.26 -2.37 118.70 124.83 2kmn s GLU 87 Ca -0.03 1.72 -0.17 0.00 0.02 0.00 0.00 54.97 56.51 2kmn s GLU 87 Cb -0.04 -2.80 0.02 0.00 0.10 0.00 0.00 34.13 31.41 2kmn s GLU 87 CO -0.02 -0.08 0.52 -1.21 0.02 0.00 0.00 175.26 174.49 2kmn s GLU 88 N -2.09 1.44 0.35 1.61 2.02 -0.45 -4.84 118.70 116.75 2kmn s GLU 88 Ca 0.53 -0.97 0.09 0.00 0.02 0.00 0.00 54.97 54.65 2kmn s GLU 88 Cb -0.28 0.51 -0.07 0.00 0.10 0.00 0.00 34.13 34.40 2kmn s GLU 88 CO 0.36 -0.61 -0.08 0.20 0.02 0.00 0.00 175.26 175.14 2kmn s GLY 89 N -2.91 2.21 -0.03 -1.39 0.00 -1.26 -0.30 107.32 103.64 2kmn s GLY 89 Ca 0.12 -2.10 0.07 0.00 0.00 0.00 0.00 44.72 42.81 2kmn s GLY 89 CO 0.01 -2.03 -0.22 0.00 0.00 0.00 0.00 173.10 170.85 2kmn h LEU 91 N 5.41 0.00 0.18 0.00 7.12 -1.92 0.15 115.31 126.25 2kmn h LEU 91 Ca -0.44 0.00 -0.31 0.00 0.13 0.00 0.00 57.88 57.26 2kmn h LEU 91 Cb 1.13 0.00 0.03 0.00 -0.53 0.00 0.00 40.66 41.29 2kmn h LEU 91 CO 0.48 0.00 -1.36 0.28 -0.13 0.00 0.00 178.44 177.71 2kmn h SER 92 N 0.00 0.74 -3.69 1.25 0.02 -1.88 -3.44 113.55 106.56 2kmn h SER 92 Ca 0.05 -0.76 -0.50 0.00 -0.84 0.00 0.00 61.79 59.74 2kmn h SER 92 Cb 0.41 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 2kmn h SER 92 CO -0.00 1.59 0.08 -0.63 -1.14 0.00 0.00 176.83 176.72 2kmn s ILE 93 N -2.71 4.70 -0.01 3.27 1.09 0.51 0.16 121.20 128.20 2kmn s ILE 93 Ca -0.08 0.92 -0.04 0.00 -1.10 0.00 0.00 60.65 60.35 2kmn s ILE 93 Cb 0.05 -3.63 -0.18 0.00 -1.06 0.00 0.00 42.46 37.64 2kmn s ILE 93 CO 0.93 -0.15 2.63 -0.81 -0.10 0.00 0.00 174.94 177.44 2kmn n PRO 94 N -0.27 1.38 -1.01 2.79 -0.04 -1.26 -4.45 135.00 132.14 2kmn n PRO 94 Ca 0.03 -0.69 -0.00 0.00 -0.04 0.00 0.00 63.50 62.79 2kmn n PRO 94 Cb 0.53 -1.85 -0.00 0.00 -0.04 0.00 0.00 33.50 32.14 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 2.67 -0.19 -2.48 0.54 2.13 -1.26 -4.96 120.64 117.10 2kmn n GLU 95 Ca 0.30 0.17 -0.39 0.00 0.66 0.00 0.00 57.16 57.90 2kmn n GLU 95 Cb 0.62 -3.42 -0.03 0.00 0.27 0.00 0.00 31.44 28.88 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 -0.66 3.47 0.02 5.31 -0.21 -1.26 -4.87 119.66 121.46 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 -5.33 -0.05 0.00 1.00 0.00 0.00 33.01 28.63 2kmn s GLN 96 CO 0.00 -2.40 0.76 1.03 -2.12 0.00 0.00 175.29 172.56 2kmn s ARG 97 N 5.21 4.49 0.07 2.91 0.52 -1.25 -4.56 118.95 126.34 2kmn s ARG 97 Ca 0.50 1.05 0.03 0.00 -0.52 0.00 0.00 55.73 56.79 2kmn s ARG 97 Cb -0.01 -3.38 -0.03 0.00 0.52 0.00 0.00 34.95 32.05 2kmn s ARG 97 CO -0.07 0.23 -0.09 0.00 0.02 0.00 0.00 175.30 175.40 2kmn s ALA 98 N 0.13 0.88 0.21 2.13 0.00 0.58 -4.67 121.76 121.02 2kmn s ALA 98 Ca 0.39 -1.05 -0.30 0.00 0.00 0.00 0.00 51.96 51.00 2kmn s ALA 98 Cb -0.20 0.05 -0.08 0.00 0.00 0.00 0.00 23.12 22.89 2kmn s ALA 98 CO 0.22 -0.06 1.10 -1.17 0.00 0.00 0.00 175.76 175.86 2kmn s LEU 99 N -2.19 4.51 -0.03 0.00 0.20 -1.26 -1.34 118.68 118.56 2kmn s LEU 99 Ca 0.00 2.14 0.02 0.00 0.69 0.00 0.00 54.13 56.99 2kmn s LEU 99 Cb -0.04 -3.61 0.01 0.00 -0.43 0.00 0.00 46.19 42.11 2kmn s LEU 99 CO -0.01 -0.20 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.07 2kmn s VAL 100 N -0.49 0.80 -0.15 1.68 1.01 -1.00 -4.85 120.40 117.40 2kmn s VAL 100 Ca 0.48 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.82 2kmn s VAL 100 Cb -0.30 -0.73 -0.00 0.00 0.00 0.00 0.00 36.38 35.35 2kmn s VAL 100 CO 0.36 0.26 1.03 -2.84 0.00 0.00 0.00 175.10 173.91 2kmn s PRO 101 N 0.35 4.35 0.16 2.72 0.02 -1.26 -3.82 135.00 137.52 2kmn s PRO 101 Ca -0.06 1.39 -0.05 0.00 0.02 0.00 0.00 61.00 62.30 2kmn s PRO 101 Cb -0.10 -3.59 -0.02 0.00 0.02 0.00 0.00 34.50 30.81 2kmn s PRO 101 CO 0.01 -0.45 0.19 -0.98 -0.33 0.00 0.00 177.00 175.43 2kmn s ARG 102 N 2.52 1.08 0.65 5.54 3.03 -0.93 -4.98 118.95 125.86 2kmn s ARG 102 Ca 0.47 -1.32 -0.16 0.00 2.03 0.00 0.00 55.73 56.76 2kmn s ARG 102 Cb -0.17 0.32 -0.01 0.00 -1.03 0.00 0.00 34.95 34.06 2kmn s ARG 102 CO 0.13 -0.36 1.13 0.00 -1.13 0.00 0.00 175.30 175.07 2kmn s ALA 103 N -4.02 2.46 0.06 7.88 0.00 -1.25 0.10 121.76 127.00 2kmn s ALA 103 Ca 0.22 0.64 -0.16 0.00 0.00 0.00 0.00 51.96 52.66 2kmn s ALA 103 Cb 0.05 -3.35 -0.18 0.00 0.00 0.00 0.00 23.12 19.64 2kmn s ALA 103 CO 0.02 -1.27 1.23 0.93 0.00 0.00 0.00 175.76 176.67 2kmn h GLU 104 N 0.19 0.61 -3.72 0.00 5.08 0.13 -3.40 114.58 113.47 2kmn h GLU 104 Ca -0.47 -0.52 -0.25 0.00 -1.00 0.00 0.00 59.36 57.11 2kmn h GLU 104 Cb 1.26 0.12 -0.29 0.00 0.50 0.00 0.00 28.75 30.33 2kmn h GLU 104 CO 0.54 1.14 -0.72 0.15 -1.00 0.00 0.00 179.01 179.12 2kmn s LYS 105 N -3.61 0.02 -0.01 2.33 1.02 -0.48 -0.75 119.74 118.25 2kmn s LYS 105 Ca -0.12 0.03 -0.02 0.00 0.02 0.00 0.00 55.97 55.88 2kmn s LYS 105 Cb 0.06 -0.07 0.00 0.00 -0.52 0.00 0.00 37.83 37.30 2kmn s LYS 105 CO 0.86 -0.03 0.05 0.14 -0.92 0.00 0.00 175.35 175.44 2kmn s VAL 106 N 0.21 0.02 -0.19 3.17 -7.23 0.36 -0.17 120.40 116.56 2kmn s VAL 106 Ca -0.02 -0.17 -0.05 0.00 -1.81 0.00 0.00 61.98 59.93 2kmn s VAL 106 Cb -0.03 -0.13 -0.03 0.00 0.56 0.00 0.00 36.38 36.76 2kmn s VAL 106 CO -0.01 -0.09 0.00 -0.54 -0.31 0.00 0.00 175.10 174.15 2kmn s LYS 107 N -0.27 3.65 0.18 4.82 -0.14 0.41 0.67 119.74 129.06 2kmn s LYS 107 Ca -0.03 -0.51 0.05 0.00 -1.36 0.00 0.00 55.97 54.12 2kmn s LYS 107 Cb -0.02 -3.07 -0.05 0.00 -1.68 0.00 0.00 37.83 33.01 2kmn s LYS 107 CO 0.00 0.06 -0.08 0.96 -0.76 0.00 0.00 175.35 175.53 2kmn s ILE 108 N 0.88 1.21 -0.08 2.17 -5.25 0.97 -0.05 121.20 121.05 2kmn s ILE 108 Ca 0.01 -2.07 0.01 0.00 -0.99 0.00 0.00 60.65 57.60 2kmn s ILE 108 Cb -0.14 -2.03 -0.03 0.00 2.95 0.00 0.00 42.46 43.21 2kmn s ILE 108 CO 0.02 -0.60 -0.08 -0.13 -1.79 0.00 0.00 174.94 172.37 2kmn s ARG 109 N -3.77 2.85 0.21 0.37 0.52 0.59 0.65 118.95 120.37 2kmn s ARG 109 Ca 0.21 -0.57 -0.17 0.00 -0.52 0.00 0.00 55.73 54.68 2kmn s ARG 109 Cb 0.03 -2.60 0.02 0.00 0.52 0.00 0.00 34.95 32.92 2kmn s ARG 109 CO 0.04 0.59 0.53 0.00 0.02 0.00 0.00 175.30 176.48 2kmn s ALA 110 N -0.61 -0.81 0.15 2.13 0.00 0.14 0.51 121.76 123.27 2kmn s ALA 110 Ca 0.09 -0.38 0.10 0.00 0.00 0.00 0.00 51.96 51.77 2kmn s ALA 110 Cb -0.12 0.89 -0.04 0.00 0.00 0.00 0.00 23.12 23.86 2kmn s ALA 110 CO 0.02 -0.84 -0.19 -0.48 0.00 0.00 0.00 175.76 174.27 2kmn s LEU 111 N -2.91 2.64 0.68 0.00 0.05 -0.88 0.15 118.68 118.42 2kmn s LEU 111 Ca 0.12 -0.66 -0.07 0.00 0.05 0.00 0.00 54.13 53.57 2kmn s LEU 111 Cb -0.01 -1.43 0.05 0.00 -2.05 0.00 0.00 46.19 42.74 2kmn s LEU 111 CO 0.01 0.15 1.00 -0.62 -0.55 0.00 0.00 176.35 176.33 2kmn s ASP 112 N -2.41 4.98 0.66 1.48 2.15 -0.92 0.18 116.67 122.80 2kmn s ASP 112 Ca 0.20 0.54 0.33 0.00 0.43 0.00 0.00 52.55 54.05 2kmn s ASP 112 Cb -0.09 -1.26 1.81 0.00 -0.30 0.00 0.00 42.92 43.08 2kmn s ASP 112 CO 0.11 -1.49 2.03 -0.09 -0.17 0.00 0.00 175.17 175.55 2kmn h ARG 113 N -0.53 0.00 0.00 4.34 2.43 -1.92 0.48 114.38 119.17 2kmn h ARG 113 Ca -0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 2kmn h ARG 113 Cb 1.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 2kmn h ARG 113 CO 0.61 0.00 0.00 -0.44 -1.51 0.00 0.00 179.97 178.63 2kmn h ASP 114 N 0.00 0.00 -0.05 -3.80 5.19 -1.96 -3.45 116.42 112.34 2kmn h ASP 114 Ca 0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 2kmn h ASP 114 Cb 0.52 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.03 2kmn h ASP 114 CO -0.00 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 2kmn n GLY 115 N 1.09 1.08 2.83 2.75 0.00 0.17 -5.08 105.19 108.02 2kmn n GLY 115 Ca 0.04 -0.04 -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 -0.37 1.03 -0.27 1.61 -0.14 -1.25 -4.88 119.74 115.47 2kmn s LYS 116 Ca 0.00 -1.21 -0.29 0.00 -1.36 0.00 0.00 55.97 53.11 2kmn s LYS 116 Cb 0.00 -2.38 -0.01 0.00 -1.68 0.00 0.00 37.83 33.76 2kmn s LYS 116 CO 0.00 -0.89 1.36 -2.14 -0.76 0.00 0.00 175.35 172.91 2kmn s PRO 117 N 1.43 3.93 0.33 -1.68 0.02 -1.26 -2.16 135.00 135.61 2kmn s PRO 117 Ca 0.07 1.37 0.05 0.00 0.02 0.00 0.00 61.00 62.52 2kmn s PRO 117 Cb -0.18 -3.90 -0.07 0.00 0.02 0.00 0.00 34.50 30.38 2kmn s PRO 117 CO -0.17 -1.11 0.01 -0.59 -0.33 0.00 0.00 177.00 174.82 2kmn s PHE 118 N 4.43 2.10 -0.15 6.54 -0.12 0.40 -4.88 117.98 126.30 2kmn s PHE 118 Ca 0.59 -0.81 -0.04 0.00 -0.05 0.00 0.00 56.93 56.62 2kmn s PHE 118 Cb -0.19 -1.36 -0.03 0.00 -0.63 0.00 0.00 43.02 40.82 2kmn s PHE 118 CO 0.23 0.19 -0.02 -1.21 -0.05 0.00 0.00 175.22 174.37 2kmn s GLU 119 N -3.80 3.68 -0.03 1.99 2.02 -1.26 0.25 118.70 121.54 2kmn s GLU 119 Ca 0.34 -0.48 0.04 0.00 0.02 0.00 0.00 54.97 54.88 2kmn s GLU 119 Cb 0.08 -2.95 -0.00 0.00 0.10 0.00 0.00 34.13 31.35 2kmn s GLU 119 CO 0.15 0.28 -0.14 -0.48 0.02 0.00 0.00 175.26 175.09 2kmn s LEU 120 N 0.28 1.87 -0.20 1.80 0.05 0.21 -4.96 118.68 117.71 2kmn s LEU 120 Ca -0.02 -0.29 -0.15 0.00 0.05 0.00 0.00 54.13 53.73 2kmn s LEU 120 Cb -0.14 -0.80 -0.04 0.00 -2.05 0.00 0.00 46.19 43.16 2kmn s LEU 120 CO 0.02 0.12 0.35 -1.83 -0.55 0.00 0.00 176.35 174.46 2kmn s GLU 121 N 0.08 4.16 -0.07 1.48 -1.05 -1.26 -0.02 118.70 122.02 2kmn s GLU 121 Ca -0.03 0.11 0.04 0.00 -0.15 0.00 0.00 54.97 54.94 2kmn s GLU 121 Cb -0.10 -3.53 -0.02 0.00 -0.44 0.00 0.00 34.13 30.04 2kmn s GLU 121 CO 0.01 0.00 -0.18 0.00 0.95 0.00 0.00 175.26 176.04 2kmn s ALA 122 N 1.20 2.45 0.28 -0.84 0.00 0.21 -4.94 121.76 120.11 2kmn s ALA 122 Ca 0.17 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 51.20 2kmn s ALA 122 Cb -0.14 -0.90 -0.06 0.00 0.00 0.00 0.00 23.12 22.02 2kmn s ALA 122 CO 0.07 0.43 -0.05 -0.51 0.00 0.00 0.00 175.76 175.69 2kmn s ASP 123 N -0.24 2.74 0.45 0.00 1.01 -1.26 0.13 116.67 119.50 2kmn s ASP 123 Ca 0.00 -1.20 0.00 0.00 0.71 0.00 0.00 52.55 52.06 2kmn s ASP 123 Cb -0.13 -0.16 0.00 0.00 1.01 0.00 0.00 42.92 43.64 2kmn s ASP 123 CO 0.03 -0.36 0.00 0.61 0.21 0.00 0.00 175.17 175.66 2kmn n GLY 124 N -0.59 2.18 0.38 0.21 0.00 0.07 -0.99 105.19 106.45 2kmn n GLY 124 Ca -0.05 -0.22 0.16 0.00 0.00 0.00 0.00 46.02 45.91 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 0.26 0.11 0.99 7.12 -1.98 0.38 115.31 122.19 2kmn h LEU 125 Ca 0.00 0.01 -0.01 0.00 0.13 0.00 0.00 57.88 58.02 2kmn h LEU 125 Cb 0.00 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.09 2kmn h LEU 125 CO 0.00 0.14 -0.06 0.25 -0.13 0.00 0.00 178.44 178.65 2kmn h LEU 126 N 0.28 -0.13 -0.94 2.25 7.12 -1.58 -1.70 115.31 120.61 2kmn h LEU 126 Ca 0.32 -0.42 0.04 0.00 0.13 0.00 0.00 57.88 57.95 2kmn h LEU 126 Cb 0.85 0.03 -0.06 0.00 -0.53 0.00 0.00 40.66 40.96 2kmn h LEU 126 CO -0.07 0.40 0.61 0.00 -0.13 0.00 0.00 178.44 179.25 2kmn h ALA 127 N 0.01 1.26 0.26 1.25 0.00 -0.26 -0.97 119.26 120.80 2kmn h ALA 127 Ca -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2kmn h ALA 127 Cb 0.54 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2kmn h ALA 127 CO 0.03 0.45 -0.12 0.82 0.00 0.00 0.00 179.25 180.42 2kmn h ILE 128 N 1.15 0.75 -0.03 0.00 1.08 -0.32 -1.65 117.51 118.49 2kmn h ILE 128 Ca 0.38 -0.75 0.02 0.00 -0.39 0.00 0.00 64.86 64.12 2kmn h ILE 128 Cb 0.05 1.13 -0.02 0.00 -3.07 0.00 0.00 36.82 34.92 2kmn h ILE 128 CO -0.14 0.15 -0.07 0.00 -0.69 0.00 0.00 178.15 177.40 2kmn h ILE 130 N -0.11 1.17 -0.43 0.00 2.10 -1.28 -0.26 117.51 118.70 2kmn h ILE 130 Ca 0.04 -0.34 -0.12 0.00 1.08 0.00 0.00 64.86 65.52 2kmn h ILE 130 Cb 0.17 0.34 -0.01 0.00 -1.09 0.00 0.00 36.82 36.22 2kmn h ILE 130 CO -0.10 0.17 -0.21 0.06 -1.08 0.00 0.00 178.15 176.98 2kmn h GLN 131 N 0.79 0.85 -0.36 2.19 3.07 -1.03 -2.29 115.11 118.33 2kmn h GLN 131 Ca 0.21 -0.35 0.02 0.00 0.09 0.00 0.00 58.65 58.63 2kmn h GLN 131 Cb -0.05 -0.04 -0.03 0.00 0.08 0.00 0.00 27.48 27.45 2kmn h GLN 131 CO -0.04 0.99 0.19 1.25 0.09 0.00 0.00 178.83 181.30 2kmn h HIS 132 N 0.74 0.35 -0.58 0.06 2.76 0.32 -1.98 115.15 116.83 2kmn h HIS 132 Ca 0.10 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.30 2kmn h HIS 132 Cb 0.75 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.57 2kmn h HIS 132 CO 0.04 0.19 0.37 0.93 -1.30 0.00 0.00 177.93 178.16 2kmn h GLU 133 N 0.39 0.72 -0.25 5.26 4.39 -0.86 0.21 114.58 124.44 2kmn h GLU 133 Ca 0.15 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.84 2kmn h GLU 133 Cb 0.05 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.50 2kmn h GLU 133 CO -0.10 0.48 0.04 0.52 -1.16 0.00 0.00 179.01 178.79 2kmn h MET 134 N 0.74 0.13 -0.20 2.33 2.86 -0.90 0.30 114.93 120.19 2kmn h MET 134 Ca 0.22 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.83 2kmn h MET 134 Cb -0.04 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 2kmn h MET 134 CO -0.07 0.09 0.06 0.38 1.06 0.00 0.00 176.91 178.43 2kmn h ASP 135 N 0.14 0.30 -0.03 1.22 3.04 -1.01 -2.16 116.42 117.92 2kmn h ASP 135 Ca 0.11 -0.21 0.02 0.00 -3.24 0.00 0.00 57.03 53.72 2kmn h ASP 135 Cb 0.12 -0.08 -0.03 0.00 -1.04 0.00 0.00 39.33 38.30 2kmn h ASP 135 CO -0.16 0.44 -0.13 -0.74 -2.04 0.00 0.00 179.24 176.61 2kmn h HIS 136 N 0.15 -0.32 -0.13 4.15 2.76 -0.16 -0.90 115.15 120.70 2kmn h HIS 136 Ca 0.06 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 2kmn h HIS 136 Cb 0.25 0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.35 2kmn h HIS 136 CO 0.00 -0.19 0.05 1.37 -1.30 0.00 0.00 177.93 177.87 2kmn h LEU 137 N -0.20 0.15 -1.38 0.26 8.10 -0.36 0.14 115.31 122.02 2kmn h LEU 137 Ca 0.05 -0.01 -0.00 0.00 0.11 0.00 0.00 57.88 58.03 2kmn h LEU 137 Cb 0.27 -0.04 -0.00 0.00 -0.44 0.00 0.00 40.66 40.45 2kmn h LEU 137 CO -0.15 0.14 0.01 0.55 -4.11 0.00 0.00 178.44 174.88 2kmn n VAL 138 N -4.49 0.39 -0.86 0.15 3.14 -0.82 -1.27 118.33 114.57 2kmn n VAL 138 Ca -0.01 -0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 2kmn n VAL 138 Cb 0.11 -0.65 0.00 0.00 -1.06 0.00 0.00 33.84 32.24 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 0.15 0.15 3.65 7.55 0.00 0.68 -3.86 105.19 113.52 2kmn n GLY 139 Ca 0.01 0.00 -0.39 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 -1.27 4.14 0.27 1.61 -2.85 -0.40 -3.98 119.74 117.26 2kmn s LYS 140 Ca 0.00 0.21 0.11 0.00 -1.00 0.00 0.00 55.97 55.29 2kmn s LYS 140 Cb 0.00 -3.57 -0.05 0.00 -2.06 0.00 0.00 37.83 32.15 2kmn s LYS 140 CO 0.00 -0.13 -0.18 -0.51 0.10 0.00 0.00 175.35 174.64 2kmn s LEU 141 N 1.59 2.59 0.39 2.77 2.01 -1.26 -2.32 118.68 124.46 2kmn s LEU 141 Ca 0.19 -1.05 0.06 0.00 0.01 0.00 0.00 54.13 53.34 2kmn s LEU 141 Cb -0.15 -0.99 0.79 0.00 0.01 0.00 0.00 46.19 45.85 2kmn s LEU 141 CO 0.09 -0.03 2.04 2.19 1.01 0.00 0.00 176.35 181.64 2kmn h PHE 142 N 2.31 0.59 -0.02 0.29 -5.15 -1.97 -1.28 116.94 111.72 2kmn h PHE 142 Ca -0.40 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.39 2kmn h PHE 142 Cb 1.25 -0.20 -0.00 0.00 0.22 0.00 0.00 35.95 37.22 2kmn h PHE 142 CO 0.78 0.38 0.02 1.98 -2.00 0.00 0.00 178.31 179.47 2kmn h MET 143 N 0.63 0.00 -0.14 6.09 4.05 -1.95 -1.18 114.93 122.42 2kmn h MET 143 Ca 0.17 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.63 2kmn h MET 143 Cb -0.05 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.74 2kmn h MET 143 CO -0.03 0.00 0.16 0.22 0.23 0.00 0.00 176.91 177.48 2kmn h ASP 144 N 0.00 0.00 0.00 1.39 3.58 -1.64 -2.40 116.42 117.35 2kmn h ASP 144 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2kmn h ASP 144 Cb 0.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.09 2kmn h ASP 144 CO -0.00 0.00 -0.12 0.00 -2.88 0.00 0.00 179.24 176.24 2kmn n TYR 145 N -3.79 0.00 -3.34 0.28 9.36 -0.49 -5.06 117.16 114.12 2kmn n TYR 145 Ca 0.00 -0.48 -0.37 0.00 3.32 0.00 0.00 57.90 60.37 2kmn n TYR 145 Cb 0.27 -0.08 -0.06 0.00 -0.63 0.00 0.00 39.34 38.84 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 -1.27 4.45 0.00 2.98 1.02 -0.91 -5.13 118.68 119.83 2kmn s LEU 146 Ca 0.11 1.15 0.18 0.00 0.02 0.00 0.00 54.13 55.59 2kmn s LEU 146 Cb 0.10 -2.98 1.05 0.00 0.02 0.00 0.00 46.19 44.38 2kmn s LEU 146 CO 0.01 0.22 1.45 -1.20 0.02 0.00 0.00 176.35 176.85