#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kh2 s ILE 2 N 0.00 4.66 0.38 0.53 -4.36 -1.25 -5.03 121.20 116.12 2kh2 s ILE 2 Ca 0.00 -0.07 0.08 0.00 -0.26 0.00 0.00 60.65 60.39 2kh2 s ILE 2 Cb 0.00 -3.12 -0.02 0.00 1.25 0.00 0.00 42.46 40.56 2kh2 s ILE 2 CO 0.00 0.41 0.34 -1.10 0.24 0.00 0.00 174.94 174.83 2kh2 s GLN 3 N 0.80 2.63 0.23 0.37 1.11 -1.26 -4.67 119.66 118.86 2kh2 s GLN 3 Ca 0.04 -1.42 0.11 0.00 0.01 0.00 0.00 55.36 54.10 2kh2 s GLN 3 Cb -0.13 -2.43 -0.05 0.00 -1.01 0.00 0.00 33.01 29.39 2kh2 s GLN 3 CO 0.02 -0.05 -0.19 -1.64 0.01 0.00 0.00 175.29 173.44 2kh2 s MET 4 N -4.06 1.70 -0.06 2.91 -1.94 -1.26 -2.63 119.30 113.96 2kh2 s MET 4 Ca 0.45 -1.59 -0.01 0.00 -1.71 0.00 0.00 55.69 52.83 2kh2 s MET 4 Cb -0.05 -1.87 0.03 0.00 2.01 0.00 0.00 34.83 34.95 2kh2 s MET 4 CO 0.27 0.37 -0.00 0.99 -0.01 0.00 0.00 175.02 176.64 2kh2 s THR 5 N -2.06 0.38 -0.18 2.05 2.01 -0.33 -4.68 115.64 112.83 2kh2 s THR 5 Ca 0.26 0.09 -0.08 0.00 0.31 0.00 0.00 61.69 62.27 2kh2 s THR 5 Cb -0.07 -0.52 -0.04 0.00 0.01 0.00 0.00 72.50 71.88 2kh2 s THR 5 CO 0.13 0.25 0.08 -1.10 -0.69 0.00 0.00 174.62 173.29 2kh2 s GLN 6 N 1.75 3.98 -0.09 4.92 -0.21 -1.26 -0.66 119.66 128.09 2kh2 s GLN 6 Ca 0.02 -0.31 0.00 0.00 0.02 0.00 0.00 55.36 55.09 2kh2 s GLN 6 Cb -0.13 -3.24 0.02 0.00 1.00 0.00 0.00 33.01 30.66 2kh2 s GLN 6 CO -0.04 0.31 -0.08 -1.12 -2.12 0.00 0.00 175.29 172.24 2kh2 s SER 7 N 0.28 1.93 0.53 5.90 0.01 0.92 -4.19 113.70 119.08 2kh2 s SER 7 Ca 0.05 -0.27 -0.00 0.00 1.31 0.00 0.00 55.95 57.04 2kh2 s SER 7 Cb -0.12 -0.77 0.04 0.00 0.21 0.00 0.00 66.02 65.39 2kh2 s SER 7 CO -0.00 -0.09 0.29 -0.81 0.41 0.00 0.00 173.24 173.04 2kh2 n PRO 8 N 4.64 0.35 0.03 12.44 -0.04 -1.26 -0.42 135.00 150.74 2kh2 n PRO 8 Ca -0.15 -0.74 -0.13 0.00 -0.04 0.00 0.00 63.50 62.43 2kh2 n PRO 8 Cb 0.50 -0.20 -0.14 0.00 -0.04 0.00 0.00 33.50 33.62 2kh2 n PRO 8 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2kh2 h SER 9 N -0.20 0.22 -3.52 3.54 0.02 -1.84 -3.42 113.55 108.35 2kh2 h SER 9 Ca -0.09 -0.34 -0.11 0.00 -0.84 0.00 0.00 61.79 60.40 2kh2 h SER 9 Cb 0.34 -0.07 -0.25 0.00 0.14 0.00 0.00 62.40 62.56 2kh2 h SER 9 CO 0.10 1.29 -0.25 -0.44 -1.14 0.00 0.00 176.83 176.39 2kh2 s SER 10 N -6.68 -0.50 0.05 3.07 0.01 -1.26 -0.36 113.70 108.03 2kh2 s SER 10 Ca -0.08 0.90 -0.15 0.00 1.31 0.00 0.00 55.95 57.94 2kh2 s SER 10 Cb 0.08 0.84 0.02 0.00 0.21 0.00 0.00 66.02 67.17 2kh2 s SER 10 CO 0.83 -0.17 0.33 -1.48 0.41 0.00 0.00 173.24 173.16 2kh2 s LEU 11 N 0.87 0.76 0.13 2.44 2.34 -0.25 -4.95 118.68 120.02 2kh2 s LEU 11 Ca -0.05 -0.16 0.09 0.00 0.06 0.00 0.00 54.13 54.06 2kh2 s LEU 11 Cb -0.06 1.46 -0.04 0.00 -0.56 0.00 0.00 46.19 46.99 2kh2 s LEU 11 CO -0.07 -0.64 -0.20 -0.44 -1.06 0.00 0.00 176.35 173.94 2kh2 s SER 12 N -2.09 2.66 0.29 1.48 0.01 -1.26 -1.20 113.70 113.59 2kh2 s SER 12 Ca -0.05 -0.76 -0.12 0.00 1.31 0.00 0.00 55.95 56.34 2kh2 s SER 12 Cb -0.01 -0.15 0.01 0.00 0.21 0.00 0.00 66.02 66.08 2kh2 s SER 12 CO -0.04 0.03 0.54 0.00 0.41 0.00 0.00 173.24 174.18 2kh2 s ALA 13 N -1.51 -0.16 0.41 1.44 0.00 -0.71 -4.94 121.76 116.29 2kh2 s ALA 13 Ca 0.11 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 51.16 2kh2 s ALA 13 Cb -0.08 1.02 0.00 0.00 0.00 0.00 0.00 23.12 24.06 2kh2 s ALA 13 CO 0.05 -0.87 0.58 -1.12 0.00 0.00 0.00 175.76 174.40 2kh2 s SER 14 N -3.07 5.75 -0.20 0.00 0.01 -1.26 -0.20 113.70 114.73 2kh2 s SER 14 Ca 0.22 -0.17 -0.29 0.00 1.31 0.00 0.00 55.95 57.02 2kh2 s SER 14 Cb -0.02 -1.03 -0.04 0.00 0.21 0.00 0.00 66.02 65.14 2kh2 s SER 14 CO 0.12 -0.68 1.81 -0.69 0.41 0.00 0.00 173.24 174.21 2kh2 s VAL 15 N -2.37 3.43 0.00 3.43 1.01 -1.26 -1.52 120.40 123.12 2kh2 s VAL 15 Ca 0.51 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.96 2kh2 s VAL 15 Cb -0.10 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.82 2kh2 s VAL 15 CO 0.34 -0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.84 2kh2 n GLY 16 N 4.96 0.72 3.84 4.51 0.00 0.14 -4.95 105.19 114.41 2kh2 n GLY 16 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 2kh2 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kh2 s ASP 17 N -2.13 4.92 -0.85 1.61 1.11 -0.57 -4.53 116.67 116.23 2kh2 s ASP 17 Ca 0.00 1.24 -0.11 0.00 0.18 0.00 0.00 52.55 53.85 2kh2 s ASP 17 Cb 0.00 -2.00 0.22 0.00 1.07 0.00 0.00 42.92 42.21 2kh2 s ASP 17 CO 0.00 -1.69 0.77 -0.60 1.18 0.00 0.00 175.17 174.84 2kh2 s ARG 18 N -5.24 3.54 -0.02 8.23 3.52 -1.26 -0.95 118.95 126.76 2kh2 s ARG 18 Ca 0.60 -2.63 -0.30 0.00 -0.13 0.00 0.00 55.73 53.27 2kh2 s ARG 18 Cb -0.13 -4.33 -0.05 0.00 -1.56 0.00 0.00 34.95 28.88 2kh2 s ARG 18 CO 0.53 -1.27 1.38 0.08 -0.81 0.00 0.00 175.30 175.21 2kh2 s VAL 19 N -0.16 3.82 -0.17 7.11 1.01 -1.05 -4.81 120.40 126.15 2kh2 s VAL 19 Ca 0.20 1.18 -0.01 0.00 0.00 0.00 0.00 61.98 63.35 2kh2 s VAL 19 Cb -0.11 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 2kh2 s VAL 19 CO -0.08 -0.01 -0.12 -0.89 0.00 0.00 0.00 175.10 174.00 2kh2 s THR 20 N 2.54 2.96 -0.17 3.92 2.01 -1.26 -0.10 115.64 125.54 2kh2 s THR 20 Ca 0.63 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 61.97 2kh2 s THR 20 Cb -0.30 -2.27 0.01 0.00 0.01 0.00 0.00 72.50 69.95 2kh2 s THR 20 CO 0.25 0.50 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.85 2kh2 s ILE 21 N 0.86 2.21 -0.11 1.82 1.01 0.78 -4.78 121.20 123.00 2kh2 s ILE 21 Ca -0.03 -0.91 -0.06 0.00 0.00 0.00 0.00 60.65 59.65 2kh2 s ILE 21 Cb -0.15 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 2kh2 s ILE 21 CO 0.00 0.53 0.12 -0.89 0.00 0.00 0.00 174.94 174.70 2kh2 s THR 22 N 1.08 5.29 -0.04 2.92 2.01 0.44 -0.33 115.64 127.01 2kh2 s THR 22 Ca -0.00 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.10 2kh2 s THR 22 Cb -0.14 -3.30 0.02 0.00 0.01 0.00 0.00 72.50 69.09 2kh2 s THR 22 CO -0.07 0.60 -0.02 0.00 -0.69 0.00 0.00 174.62 174.43 2kh2 s ARG 24 N 1.14 2.44 0.18 0.00 3.52 0.17 -1.35 118.95 125.05 2kh2 s ARG 24 Ca -0.08 -0.79 0.05 0.00 -0.13 0.00 0.00 55.73 54.78 2kh2 s ARG 24 Cb -0.14 -2.26 -0.04 0.00 -1.56 0.00 0.00 34.95 30.95 2kh2 s ARG 24 CO -0.01 0.55 0.16 -0.08 -0.81 0.00 0.00 175.30 175.11 2kh2 s THR 25 N -0.56 4.58 -0.76 4.11 -1.32 -1.11 -1.18 115.64 119.39 2kh2 s THR 25 Ca 0.08 -1.08 -0.02 0.00 -1.21 0.00 0.00 61.69 59.46 2kh2 s THR 25 Cb -0.11 -3.36 0.38 0.00 -1.51 0.00 0.00 72.50 67.90 2kh2 s THR 25 CO 0.01 -0.14 2.05 -1.20 -2.21 0.00 0.00 174.62 173.12 2kh2 n SER 26 N -0.49 7.58 0.00 8.08 7.64 -1.08 -4.90 113.62 130.44 2kh2 n SER 26 Ca -0.08 -3.80 0.00 0.00 1.01 0.00 0.00 58.87 56.00 2kh2 n SER 26 Cb 0.55 -1.04 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 2kh2 n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kh2 n GLY 27 N -0.65 3.00 3.55 0.23 0.00 -1.26 -4.80 105.19 105.27 2kh2 n GLY 27 Ca 0.57 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 2kh2 n GLY 27 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kh2 s ASN 28 N 0.00 5.80 -0.07 1.61 3.84 -1.26 -4.70 114.94 120.16 2kh2 s ASN 28 Ca 0.00 -0.24 0.17 0.00 0.21 0.00 0.00 52.86 53.00 2kh2 s ASN 28 Cb 0.00 -2.55 0.61 0.00 -0.55 0.00 0.00 41.25 38.76 2kh2 s ASN 28 CO 0.00 -2.07 1.51 2.30 -2.79 0.00 0.00 177.10 176.05 2kh2 n ILE 29 N 6.81 1.36 0.00 -5.21 -5.35 -1.23 -4.99 119.36 110.74 2kh2 n ILE 29 Ca 0.14 -0.97 0.00 0.00 -0.27 0.00 0.00 62.75 61.65 2kh2 n ILE 29 Cb 0.50 0.19 0.00 0.00 -1.74 0.00 0.00 39.64 38.59 2kh2 n ILE 29 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 2kh2 n HIS 30 N 1.10 0.00 -1.83 4.28 8.25 -1.26 -1.80 115.22 123.96 2kh2 n HIS 30 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 2kh2 n HIS 30 Cb 0.71 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.82 2kh2 n HIS 30 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2kh2 n ASN 31 N 2.96 0.00 -3.38 0.41 5.15 -1.26 -0.42 115.26 118.72 2kh2 n ASN 31 Ca 0.00 -1.46 -0.39 0.00 -0.60 0.00 0.00 54.58 52.12 2kh2 n ASN 31 Cb 0.00 -0.09 -0.02 0.00 -0.53 0.00 0.00 39.78 39.13 2kh2 n ASN 31 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2kh2 n TYR 32 N 0.00 2.58 -5.10 1.20 4.01 -0.74 -3.27 117.16 115.84 2kh2 n TYR 32 Ca 0.00 -3.06 -0.28 0.00 -0.16 0.00 0.00 57.90 54.39 2kh2 n TYR 32 Cb 0.59 -2.46 -0.16 0.00 -0.31 0.00 0.00 39.34 37.00 2kh2 n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2kh2 s LEU 33 N 0.28 2.05 0.02 7.72 1.98 -1.26 -2.28 118.68 127.19 2kh2 s LEU 33 Ca 0.66 -0.41 0.05 0.00 -2.89 0.00 0.00 54.13 51.54 2kh2 s LEU 33 Cb 0.17 -1.15 -0.02 0.00 0.66 0.00 0.00 46.19 45.85 2kh2 s LEU 33 CO -0.07 0.27 -0.15 -0.89 -1.89 0.00 0.00 176.35 173.63 2kh2 s THR 34 N -0.54 1.19 -0.04 3.68 2.01 0.11 -0.48 115.64 121.57 2kh2 s THR 34 Ca 0.09 -0.91 0.05 0.00 0.31 0.00 0.00 61.69 61.23 2kh2 s THR 34 Cb -0.09 -1.05 -0.02 0.00 0.01 0.00 0.00 72.50 71.35 2kh2 s THR 34 CO -0.01 0.13 -0.20 0.26 -0.69 0.00 0.00 174.62 174.11 2kh2 s TRP 35 N -0.69 2.54 0.07 4.92 0.52 0.73 -1.32 118.94 125.72 2kh2 s TRP 35 Ca 0.04 -0.35 0.03 0.00 0.02 0.00 0.00 56.10 55.84 2kh2 s TRP 35 Cb -0.07 -1.59 -0.03 0.00 -1.15 0.00 0.00 33.47 30.63 2kh2 s TRP 35 CO 0.01 0.04 -0.10 0.71 0.02 0.00 0.00 176.95 177.63 2kh2 s TYR 36 N -0.57 0.93 -0.19 -1.98 2.02 -1.15 -1.93 117.35 114.48 2kh2 s TYR 36 Ca 0.08 -0.60 -0.00 0.00 -0.37 0.00 0.00 57.07 56.18 2kh2 s TYR 36 Cb -0.11 -0.53 0.05 0.00 -0.40 0.00 0.00 41.96 40.97 2kh2 s TYR 36 CO 0.01 -0.04 -0.06 -1.14 -1.57 0.00 0.00 175.55 172.75 2kh2 s GLN 37 N -2.32 1.54 -0.24 -0.62 0.74 0.20 -1.40 119.66 117.55 2kh2 s GLN 37 Ca -0.00 -0.67 -0.08 0.00 0.05 0.00 0.00 55.36 54.66 2kh2 s GLN 37 Cb -0.06 -2.21 -0.04 0.00 1.10 0.00 0.00 33.01 31.81 2kh2 s GLN 37 CO -0.00 -0.48 0.09 -1.14 -0.55 0.00 0.00 175.29 173.22 2kh2 s GLN 38 N 1.55 3.80 0.42 1.67 0.74 -0.00 0.05 119.66 127.89 2kh2 s GLN 38 Ca -0.01 -0.41 -0.22 0.00 0.05 0.00 0.00 55.36 54.77 2kh2 s GLN 38 Cb -0.16 -3.36 -0.10 0.00 1.10 0.00 0.00 33.01 30.49 2kh2 s GLN 38 CO -0.08 -0.06 0.99 0.15 -0.55 0.00 0.00 175.29 175.74 2kh2 s LYS 39 N 1.30 4.18 -0.07 1.67 -0.14 -1.25 -1.54 119.74 123.88 2kh2 s LYS 39 Ca 0.05 1.28 -0.33 0.00 -1.36 0.00 0.00 55.97 55.62 2kh2 s LYS 39 Cb -0.15 -2.33 -0.11 0.00 -1.68 0.00 0.00 37.83 33.57 2kh2 s LYS 39 CO 0.04 -0.09 1.94 -2.30 -0.76 0.00 0.00 175.35 174.18 2kh2 n PRO 40 N -0.41 2.31 -1.50 -1.68 -0.02 -1.26 -1.25 135.00 131.19 2kh2 n PRO 40 Ca 0.06 0.83 -0.05 0.00 -2.02 0.00 0.00 63.50 62.33 2kh2 n PRO 40 Cb 0.52 -2.77 -0.01 0.00 -0.02 0.00 0.00 33.50 31.22 2kh2 n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kh2 n GLY 41 N 4.61 0.54 2.88 -1.23 0.00 -1.26 -5.01 105.19 105.72 2kh2 n GLY 41 Ca 0.23 -0.78 -0.17 0.00 0.00 0.00 0.00 46.02 45.30 2kh2 n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kh2 n LYS 42 N -2.34 0.39 -2.77 1.61 5.02 -0.38 -5.16 118.16 114.52 2kh2 n LYS 42 Ca -0.05 -2.93 -0.28 0.00 -2.02 0.00 0.00 58.31 53.02 2kh2 n LYS 42 Cb 0.30 2.44 -0.01 0.00 -0.02 0.00 0.00 35.03 37.75 2kh2 n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kh2 s ALA 43 N -3.16 3.41 0.60 7.82 0.00 -1.26 -4.54 121.76 124.63 2kh2 s ALA 43 Ca 0.35 -0.44 -0.17 0.00 0.00 0.00 0.00 51.96 51.70 2kh2 s ALA 43 Cb 0.01 -2.58 -0.03 0.00 0.00 0.00 0.00 23.12 20.52 2kh2 s ALA 43 CO 0.25 -0.20 1.09 -2.14 0.00 0.00 0.00 175.76 174.75 2kh2 s PRO 44 N -4.39 3.17 0.01 0.00 0.02 -1.26 -3.92 135.00 128.63 2kh2 s PRO 44 Ca 0.48 1.38 0.07 0.00 0.02 0.00 0.00 61.00 62.95 2kh2 s PRO 44 Cb -0.10 -2.00 -0.03 0.00 0.02 0.00 0.00 34.50 32.39 2kh2 s PRO 44 CO 0.40 -0.95 -0.21 -0.65 -0.33 0.00 0.00 177.00 175.25 2kh2 s GLN 45 N -3.84 2.07 -0.21 5.54 1.11 0.11 -4.56 119.66 119.88 2kh2 s GLN 45 Ca 0.67 -0.96 -0.29 0.00 0.01 0.00 0.00 55.36 54.79 2kh2 s GLN 45 Cb -0.19 -2.13 0.00 0.00 -1.01 0.00 0.00 33.01 29.68 2kh2 s GLN 45 CO 0.35 0.55 1.08 -1.17 0.01 0.00 0.00 175.29 176.11 2kh2 s LEU 46 N -1.09 4.12 -0.18 2.90 2.96 -1.26 -0.63 118.68 125.49 2kh2 s LEU 46 Ca 0.12 1.44 -0.15 0.00 -0.22 0.00 0.00 54.13 55.33 2kh2 s LEU 46 Cb -0.10 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.98 2kh2 s LEU 46 CO 0.02 -0.68 -0.31 0.18 -1.32 0.00 0.00 176.35 174.24 2kh2 n LEU 47 N 6.33 1.81 -4.04 -0.68 4.77 -0.81 -4.63 117.00 119.75 2kh2 n LEU 47 Ca 0.12 0.31 -0.21 0.00 -0.03 0.00 0.00 56.01 56.20 2kh2 n LEU 47 Cb 0.46 -0.71 -0.15 0.00 -2.33 0.00 0.00 43.42 40.69 2kh2 n LEU 47 CO 0.53 -0.04 -0.45 -0.63 -1.33 0.00 0.00 177.39 175.47 2kh2 s ILE 48 N -2.69 0.92 0.20 -0.08 -1.09 -1.11 -1.01 121.20 116.34 2kh2 s ILE 48 Ca -0.29 -0.45 0.03 0.00 -2.23 0.00 0.00 60.65 57.72 2kh2 s ILE 48 Cb 0.07 -0.80 -0.05 0.00 -1.58 0.00 0.00 42.46 40.10 2kh2 s ILE 48 CO 0.40 0.27 -0.03 -0.72 -1.23 0.00 0.00 174.94 173.64 2kh2 s TYR 49 N 0.04 1.42 -2.03 3.97 1.13 0.32 -0.19 117.35 122.02 2kh2 s TYR 49 Ca -0.01 -0.90 0.00 0.00 -1.41 0.00 0.00 57.07 54.75 2kh2 s TYR 49 Cb -0.08 -0.80 0.00 0.00 -1.10 0.00 0.00 41.96 39.98 2kh2 s TYR 49 CO 0.00 -0.04 0.00 -1.71 -2.51 0.00 0.00 175.55 171.29 2kh2 n ASN 50 N -0.33 -5.61 0.00 -0.18 2.85 -1.18 -1.80 115.26 109.01 2kh2 n ASN 50 Ca -0.07 0.32 0.00 0.00 -0.11 0.00 0.00 54.58 54.73 2kh2 n ASN 50 Cb 0.63 -4.82 0.00 0.00 1.24 0.00 0.00 39.78 36.83 2kh2 n ASN 50 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kh2 n ALA 51 N 0.18 0.00 -2.40 5.20 0.00 0.37 -4.42 120.51 119.44 2kh2 n ALA 51 Ca -0.22 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.25 2kh2 n ALA 51 Cb 0.68 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.15 2kh2 n ALA 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2kh2 n LYS 52 N -0.09 0.01 -3.89 0.00 4.81 -1.20 -3.57 118.16 114.24 2kh2 n LYS 52 Ca 0.00 -1.82 -0.17 0.00 -0.87 0.00 0.00 58.31 55.45 2kh2 n LYS 52 Cb 0.00 -0.11 -0.16 0.00 0.02 0.00 0.00 35.03 34.78 2kh2 n LYS 52 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 2kh2 s THR 53 N -0.03 0.12 0.55 3.15 -1.32 -0.74 -4.90 115.64 112.48 2kh2 s THR 53 Ca 0.28 0.12 -0.20 0.00 -1.21 0.00 0.00 61.69 60.68 2kh2 s THR 53 Cb 0.32 -0.23 -0.05 0.00 -1.51 0.00 0.00 72.50 71.03 2kh2 s THR 53 CO -0.14 0.13 1.20 -0.76 -2.21 0.00 0.00 174.62 172.84 2kh2 s LEU 54 N 1.05 3.76 0.77 9.08 1.02 -1.26 -0.52 118.68 132.58 2kh2 s LEU 54 Ca -0.09 2.36 -0.11 0.00 0.02 0.00 0.00 54.13 56.31 2kh2 s LEU 54 Cb -0.13 -4.50 0.06 0.00 0.02 0.00 0.00 46.19 41.63 2kh2 s LEU 54 CO -0.02 -1.39 1.14 0.00 0.02 0.00 0.00 176.35 176.10 2kh2 s ALA 55 N -1.60 2.77 -0.50 4.21 0.00 -0.18 -4.80 121.76 121.68 2kh2 s ALA 55 Ca 0.73 -0.61 -0.27 0.00 0.00 0.00 0.00 51.96 51.81 2kh2 s ALA 55 Cb -0.30 -2.93 -0.01 0.00 0.00 0.00 0.00 23.12 19.88 2kh2 s ALA 55 CO 0.33 -1.49 1.76 -0.51 0.00 0.00 0.00 175.76 175.85 2kh2 s ASP 56 N -4.52 5.63 0.00 0.00 1.01 -1.26 -2.28 116.67 115.26 2kh2 s ASP 56 Ca 0.61 0.68 0.00 0.00 0.71 0.00 0.00 52.55 54.55 2kh2 s ASP 56 Cb -0.11 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.29 2kh2 s ASP 56 CO 0.49 -2.03 0.00 0.61 0.21 0.00 0.00 175.17 174.46 2kh2 n GLY 57 N 5.52 0.94 3.72 0.21 0.00 -1.26 -5.09 105.19 109.24 2kh2 n GLY 57 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 2kh2 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kh2 s VAL 58 N -2.00 4.98 0.52 1.61 1.01 -0.96 -5.03 120.40 120.53 2kh2 s VAL 58 Ca 0.00 1.49 -0.21 0.00 0.00 0.00 0.00 61.98 63.26 2kh2 s VAL 58 Cb 0.00 -4.06 -0.07 0.00 0.00 0.00 0.00 36.38 32.25 2kh2 s VAL 58 CO 0.00 0.27 1.01 -2.65 0.00 0.00 0.00 175.10 173.74 2kh2 n PRO 59 N 3.58 1.18 0.10 2.72 -0.02 -1.26 -4.87 135.00 136.43 2kh2 n PRO 59 Ca -0.01 0.44 0.10 0.00 -2.02 0.00 0.00 63.50 62.01 2kh2 n PRO 59 Cb 0.51 -2.15 0.44 0.00 -0.02 0.00 0.00 33.50 32.27 2kh2 n PRO 59 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2kh2 n SER 60 N -0.22 0.47 0.00 2.55 7.64 -1.26 -2.48 113.62 120.33 2kh2 n SER 60 Ca 0.11 0.63 0.09 0.00 1.01 0.00 0.00 58.87 60.71 2kh2 n SER 60 Cb 0.44 -0.73 0.47 0.00 -1.01 0.00 0.00 64.21 63.38 2kh2 n SER 60 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2kh2 n ARG 61 N -2.04 0.34 -3.58 1.43 1.85 -1.26 -4.30 116.66 109.10 2kh2 n ARG 61 Ca 0.02 0.09 -0.40 0.00 -1.00 0.00 0.00 57.85 56.55 2kh2 n ARG 61 Cb 0.18 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.02 2kh2 n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2kh2 s PHE 62 N -2.41 3.51 -0.29 2.89 0.08 -1.03 -0.47 117.98 120.25 2kh2 s PHE 62 Ca 0.20 -2.31 -0.09 0.00 0.12 0.00 0.00 56.93 54.85 2kh2 s PHE 62 Cb 0.12 -3.44 -0.01 0.00 -0.57 0.00 0.00 43.02 39.12 2kh2 s PHE 62 CO 0.25 -0.92 0.12 -1.12 -0.10 0.00 0.00 175.22 173.45 2kh2 s SER 63 N 1.60 5.40 -0.05 1.36 0.01 -0.20 -4.86 113.70 116.96 2kh2 s SER 63 Ca 0.14 -0.44 -0.04 0.00 1.31 0.00 0.00 55.95 56.92 2kh2 s SER 63 Cb -0.19 -1.97 -0.04 0.00 0.21 0.00 0.00 66.02 64.03 2kh2 s SER 63 CO -0.04 -0.15 0.16 -0.83 0.41 0.00 0.00 173.24 172.79 2kh2 s GLY 64 N 1.60 2.16 0.37 3.44 0.00 -1.26 -0.37 107.32 113.26 2kh2 s GLY 64 Ca 0.05 -0.72 -0.04 0.00 0.00 0.00 0.00 44.72 44.00 2kh2 s GLY 64 CO 0.05 -0.55 0.56 -0.56 0.00 0.00 0.00 173.10 172.60 2kh2 s SER 65 N -1.57 0.87 0.00 1.64 0.01 0.54 -4.52 113.70 110.67 2kh2 s SER 65 Ca 0.22 -1.49 0.00 0.00 1.31 0.00 0.00 55.95 56.00 2kh2 s SER 65 Cb -0.12 0.73 0.00 0.00 0.21 0.00 0.00 66.02 66.83 2kh2 s SER 65 CO 0.13 -1.42 0.00 0.61 0.41 0.00 0.00 173.24 172.96 2kh2 n GLY 66 N -0.59 2.00 3.60 3.44 0.00 -1.26 -0.40 105.19 111.98 2kh2 n GLY 66 Ca -0.01 -2.08 -0.05 0.00 0.00 0.00 0.00 46.02 43.88 2kh2 n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kh2 s SER 67 N 0.00 -0.16 0.85 1.61 1.04 0.02 -4.84 113.70 112.21 2kh2 s SER 67 Ca 0.00 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.53 2kh2 s SER 67 Cb 0.00 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.27 2kh2 s SER 67 CO 0.00 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.62 2kh2 n GLY 68 N 0.26 1.74 0.46 7.32 0.00 0.44 -3.02 105.19 112.40 2kh2 n GLY 68 Ca -0.02 -0.24 0.06 0.00 0.00 0.00 0.00 46.02 45.81 2kh2 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kh2 n THR 69 N 0.00 0.03 -3.81 2.61 -2.24 -1.26 -3.55 114.28 106.06 2kh2 n THR 69 Ca 0.00 -0.52 -0.25 0.00 -2.27 0.00 0.00 64.05 61.01 2kh2 n THR 69 Cb 0.00 1.21 -0.17 0.00 -2.10 0.00 0.00 70.33 69.27 2kh2 n THR 69 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2kh2 s GLN 70 N -0.95 0.93 0.14 -0.78 -0.21 -1.17 -2.75 119.66 114.87 2kh2 s GLN 70 Ca 0.14 -0.17 0.10 0.00 0.02 0.00 0.00 55.36 55.45 2kh2 s GLN 70 Cb 0.10 -1.49 -0.04 0.00 1.00 0.00 0.00 33.01 32.57 2kh2 s GLN 70 CO 0.14 -0.39 -0.24 -0.06 -2.12 0.00 0.00 175.29 172.62 2kh2 s PHE 71 N 1.84 2.16 -0.04 0.91 0.08 -0.45 -0.80 117.98 121.67 2kh2 s PHE 71 Ca 0.03 -0.39 -0.09 0.00 0.12 0.00 0.00 56.93 56.61 2kh2 s PHE 71 Cb -0.14 -1.14 0.01 0.00 -0.57 0.00 0.00 43.02 41.19 2kh2 s PHE 71 CO -0.07 0.35 0.20 0.99 -0.10 0.00 0.00 175.22 176.60 2kh2 s THR 72 N -1.33 0.04 -0.10 0.64 2.01 0.46 -0.99 115.64 116.38 2kh2 s THR 72 Ca 0.14 -0.32 0.03 0.00 0.31 0.00 0.00 61.69 61.86 2kh2 s THR 72 Cb -0.09 -0.40 -0.01 0.00 0.01 0.00 0.00 72.50 72.01 2kh2 s THR 72 CO 0.07 -0.18 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.39 2kh2 s LEU 73 N -0.64 2.28 -0.09 4.42 2.96 0.56 -0.34 118.68 127.82 2kh2 s LEU 73 Ca -0.07 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.38 2kh2 s LEU 73 Cb -0.04 -1.46 0.02 0.00 0.50 0.00 0.00 46.19 45.20 2kh2 s LEU 73 CO 0.01 0.19 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.21 2kh2 s THR 74 N 0.20 1.29 -0.44 3.68 2.01 0.51 -0.16 115.64 122.72 2kh2 s THR 74 Ca -0.13 -0.53 -0.18 0.00 0.31 0.00 0.00 61.69 61.17 2kh2 s THR 74 Cb -0.16 -1.19 0.03 0.00 0.01 0.00 0.00 72.50 71.19 2kh2 s THR 74 CO 0.07 0.40 0.51 -0.63 -0.69 0.00 0.00 174.62 174.28 2kh2 s ILE 75 N 0.97 5.00 0.44 1.82 1.01 0.86 -1.03 121.20 130.27 2kh2 s ILE 75 Ca -0.08 -0.33 0.17 0.00 0.00 0.00 0.00 60.65 60.42 2kh2 s ILE 75 Cb -0.15 -4.13 0.37 0.00 0.01 0.00 0.00 42.46 38.56 2kh2 s ILE 75 CO -0.00 -0.54 1.92 0.28 0.00 0.00 0.00 174.94 176.59 2kh2 h SER 76 N 8.81 0.34 -1.52 3.58 0.02 -1.06 -2.79 113.55 120.93 2kh2 h SER 76 Ca -0.26 0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.57 2kh2 h SER 76 Cb 1.10 -0.04 -0.27 0.00 0.14 0.00 0.00 62.40 63.33 2kh2 h SER 76 CO 0.85 0.17 -0.50 -0.44 -1.14 0.00 0.00 176.83 175.77 2kh2 s SER 77 N -5.92 -0.12 -0.07 3.07 0.01 -1.25 -4.52 113.70 104.91 2kh2 s SER 77 Ca -0.08 -0.26 -0.30 0.00 1.31 0.00 0.00 55.95 56.63 2kh2 s SER 77 Cb 0.21 1.34 -0.06 0.00 0.21 0.00 0.00 66.02 67.72 2kh2 s SER 77 CO 0.77 -0.34 1.80 -0.22 0.41 0.00 0.00 173.24 175.65 2kh2 s LEU 78 N 2.60 4.21 0.24 2.44 2.96 -0.13 -4.73 118.68 126.27 2kh2 s LEU 78 Ca 0.10 2.25 0.08 0.00 -0.22 0.00 0.00 54.13 56.34 2kh2 s LEU 78 Cb -0.12 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 2kh2 s LEU 78 CO -0.29 -1.11 0.05 -1.10 -1.32 0.00 0.00 176.35 172.58 2kh2 s GLN 79 N 4.48 2.50 0.49 1.98 -0.21 -1.26 -0.68 119.66 126.96 2kh2 s GLN 79 Ca 0.80 -1.23 0.24 0.00 0.02 0.00 0.00 55.36 55.18 2kh2 s GLN 79 Cb -0.35 -2.33 1.29 0.00 1.00 0.00 0.00 33.01 32.62 2kh2 s GLN 79 CO 0.34 0.40 1.92 -1.35 -2.12 0.00 0.00 175.29 174.48 2kh2 h PRO 80 N 1.99 0.16 0.00 2.91 0.11 -1.97 0.15 132.00 135.35 2kh2 h PRO 80 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2kh2 h PRO 80 Cb 1.23 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2kh2 h PRO 80 CO 0.60 0.11 0.00 -0.85 -0.21 0.00 0.00 178.00 177.65 2kh2 n GLU 81 N -4.40 0.08 -0.01 1.05 0.28 -1.26 -2.63 120.64 113.75 2kh2 n GLU 81 Ca 0.15 0.28 0.12 0.00 -0.16 0.00 0.00 57.16 57.55 2kh2 n GLU 81 Cb 0.71 -1.64 0.64 0.00 1.43 0.00 0.00 31.44 32.58 2kh2 n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2kh2 n ASP 82 N -1.78 0.44 -4.58 -1.84 8.00 0.53 -4.78 116.55 112.53 2kh2 n ASP 82 Ca 0.04 -1.35 -0.41 0.00 0.71 0.00 0.00 54.79 53.77 2kh2 n ASP 82 Cb 0.22 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 2kh2 n ASP 82 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2kh2 s PHE 83 N -1.97 1.56 0.02 1.24 5.36 -1.08 -4.82 117.98 118.29 2kh2 s PHE 83 Ca 0.36 0.77 -0.08 0.00 -0.96 0.00 0.00 56.93 57.02 2kh2 s PHE 83 Cb 0.17 -4.01 0.03 0.00 -0.34 0.00 0.00 43.02 38.87 2kh2 s PHE 83 CO 0.28 -2.97 0.37 0.00 -1.46 0.00 0.00 175.22 171.44 2kh2 n ALA 84 N 11.80 -1.02 -3.03 11.12 0.00 -1.25 -4.53 120.51 133.59 2kh2 n ALA 84 Ca 0.26 -0.27 -0.33 0.00 0.00 0.00 0.00 53.44 53.09 2kh2 n ALA 84 Cb 0.49 0.09 -0.14 0.00 0.00 0.00 0.00 19.45 19.89 2kh2 n ALA 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kh2 s ASN 85 N -1.84 4.16 -0.06 0.00 4.22 -0.59 -3.03 114.94 117.80 2kh2 s ASN 85 Ca 0.09 -0.28 -0.08 0.00 -2.14 0.00 0.00 52.86 50.44 2kh2 s ASN 85 Cb -0.00 -1.62 -0.04 0.00 1.28 0.00 0.00 41.25 40.86 2kh2 s ASN 85 CO 0.00 0.17 0.22 -0.31 -2.04 0.00 0.00 177.10 175.15 2kh2 s TYR 86 N 0.31 3.62 0.40 1.54 1.51 0.49 -0.82 117.35 124.40 2kh2 s TYR 86 Ca -0.09 0.61 0.04 0.00 -1.01 0.00 0.00 57.07 56.63 2kh2 s TYR 86 Cb -0.15 -2.01 -0.05 0.00 -0.11 0.00 0.00 41.96 39.64 2kh2 s TYR 86 CO 0.05 0.69 0.05 0.71 -1.11 0.00 0.00 175.55 175.94 2kh2 s TYR 87 N -1.12 2.07 0.16 2.71 2.02 -0.50 -0.00 117.35 122.69 2kh2 s TYR 87 Ca 0.20 -0.93 0.06 0.00 -0.37 0.00 0.00 57.07 56.03 2kh2 s TYR 87 Cb -0.13 -1.46 -0.04 0.00 -0.40 0.00 0.00 41.96 39.92 2kh2 s TYR 87 CO 0.09 0.12 -0.13 0.00 -1.57 0.00 0.00 175.55 174.06 2kh2 s GLN 89 N -3.31 0.72 0.06 0.00 -0.44 -0.44 -2.67 119.66 113.58 2kh2 s GLN 89 Ca 0.16 0.99 0.08 0.00 -2.50 0.00 0.00 55.36 54.09 2kh2 s GLN 89 Cb -0.01 0.28 -0.03 0.00 -1.64 0.00 0.00 33.01 31.60 2kh2 s GLN 89 CO 0.04 -0.11 -0.21 -3.38 0.50 0.00 0.00 175.29 172.13 2kh2 s HIS 90 N 0.79 2.48 -0.44 1.67 -3.43 -1.26 0.05 115.29 115.14 2kh2 s HIS 90 Ca -0.04 -0.31 0.10 0.00 -0.80 0.00 0.00 55.06 54.02 2kh2 s HIS 90 Cb -0.05 -1.42 0.37 0.00 -1.43 0.00 0.00 32.58 30.05 2kh2 s HIS 90 CO -0.06 0.24 0.88 1.97 -2.00 0.00 0.00 174.74 175.77 2kh2 n PHE 91 N 1.48 1.94 -0.03 0.38 -1.74 -0.97 -4.70 117.46 113.82 2kh2 n PHE 91 Ca -0.16 -3.65 -0.06 0.00 -0.56 0.00 0.00 57.45 53.02 2kh2 n PHE 91 Cb 0.52 -0.40 -0.03 0.00 1.52 0.00 0.00 39.48 41.09 2kh2 n PHE 91 CO 0.00 0.00 0.00 1.87 -0.56 0.00 0.00 176.76 178.07 2kh2 n TRP 92 N -0.02 0.00 -3.80 2.97 -0.00 -1.26 -4.84 117.44 110.48 2kh2 n TRP 92 Ca 0.26 0.00 -0.10 0.00 -0.00 0.00 0.00 57.50 57.67 2kh2 n TRP 92 Cb 0.60 -0.25 0.01 0.00 -0.00 0.00 0.00 31.31 31.66 2kh2 n TRP 92 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 177.69 178.12 2kh2 n SER 93 N -2.91 -1.87 -4.67 5.87 7.64 -1.26 -5.15 113.62 111.27 2kh2 n SER 93 Ca -0.12 -2.53 -0.31 0.00 1.01 0.00 0.00 58.87 56.92 2kh2 n SER 93 Cb 0.61 3.18 0.16 0.00 -1.01 0.00 0.00 64.21 67.16 2kh2 n SER 93 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2kh2 s LEU 94 N 0.00 2.87 0.00 -3.43 1.02 -1.26 -3.32 118.68 114.56 2kh2 s LEU 94 Ca 0.18 2.21 0.18 0.00 0.02 0.00 0.00 54.13 56.72 2kh2 s LEU 94 Cb -0.04 -4.57 0.50 0.00 0.02 0.00 0.00 46.19 42.11 2kh2 s LEU 94 CO 0.13 -3.09 1.42 -0.81 0.02 0.00 0.00 176.35 174.02 2kh2 n PRO 95 N -4.17 2.29 -3.09 1.29 -0.04 -1.26 -3.89 135.00 126.13 2kh2 n PRO 95 Ca 0.12 -2.01 -0.14 0.00 -0.04 0.00 0.00 63.50 61.44 2kh2 n PRO 95 Cb 0.52 -1.44 0.07 0.00 -0.04 0.00 0.00 33.50 32.61 2kh2 n PRO 95 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2kh2 n PHE 96 N 1.14 -1.98 -3.39 0.54 3.72 -1.21 -4.79 117.46 111.49 2kh2 n PHE 96 Ca 0.19 0.76 -0.19 0.00 -0.05 0.00 0.00 57.45 58.16 2kh2 n PHE 96 Cb 0.47 -4.23 -0.01 0.00 -0.94 0.00 0.00 39.48 34.78 2kh2 n PHE 96 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2kh2 s THR 97 N -3.32 3.59 0.53 4.37 -4.23 -1.26 -4.38 115.64 110.94 2kh2 s THR 97 Ca 0.20 -1.07 0.09 0.00 -1.18 0.00 0.00 61.69 59.73 2kh2 s THR 97 Cb -0.03 -3.23 0.06 0.00 1.34 0.00 0.00 72.50 70.64 2kh2 s THR 97 CO 0.62 -0.10 0.70 -0.36 -0.54 0.00 0.00 174.62 174.94 2kh2 s PHE 98 N -2.26 1.82 0.00 3.99 0.40 -1.22 -4.20 117.98 116.51 2kh2 s PHE 98 Ca 0.48 -0.64 0.00 0.00 -0.60 0.00 0.00 56.93 56.17 2kh2 s PHE 98 Cb -0.09 -2.24 0.00 0.00 0.51 0.00 0.00 43.02 41.20 2kh2 s PHE 98 CO 0.31 -0.90 0.00 0.41 0.70 0.00 0.00 175.22 175.74 2kh2 n GLY 99 N -2.10 -0.76 0.20 4.36 0.00 -1.09 -4.74 105.19 101.06 2kh2 n GLY 99 Ca 0.12 -1.72 0.09 0.00 0.00 0.00 0.00 46.02 44.51 2kh2 n GLY 99 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2kh2 h GLN 100 N 0.00 0.00 0.00 1.61 7.50 -1.92 -3.44 115.11 118.85 2kh2 h GLN 100 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2kh2 h GLN 100 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 2kh2 h GLN 100 CO 0.00 0.25 0.00 0.41 -1.50 0.00 0.00 178.83 177.99 2kh2 n GLY 101 N 0.67 0.71 3.30 3.46 0.00 -1.26 -4.88 105.19 107.20 2kh2 n GLY 101 Ca 0.02 -1.33 -0.35 0.00 0.00 0.00 0.00 46.02 44.35 2kh2 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kh2 s THR 102 N -0.35 3.44 -0.31 2.61 2.01 1.00 -4.69 115.64 119.34 2kh2 s THR 102 Ca 0.00 -0.61 -0.16 0.00 0.31 0.00 0.00 61.69 61.23 2kh2 s THR 102 Cb 0.00 -2.64 -0.02 0.00 0.01 0.00 0.00 72.50 69.85 2kh2 s THR 102 CO 0.00 0.32 0.44 -0.54 -0.69 0.00 0.00 174.62 174.15 2kh2 s LYS 103 N 1.46 3.82 -0.20 4.92 1.02 0.52 -0.38 119.74 130.91 2kh2 s LYS 103 Ca 0.04 -0.05 -0.05 0.00 0.02 0.00 0.00 55.97 55.93 2kh2 s LYS 103 Cb -0.15 -3.73 -0.03 0.00 -0.52 0.00 0.00 37.83 33.40 2kh2 s LYS 103 CO -0.02 -0.45 0.00 0.08 -0.92 0.00 0.00 175.35 174.04 2kh2 s VAL 104 N 2.20 4.02 -0.07 3.17 1.01 -1.17 -1.09 120.40 128.47 2kh2 s VAL 104 Ca 0.17 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 61.89 2kh2 s VAL 104 Cb -0.16 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 2kh2 s VAL 104 CO 0.11 0.43 -0.18 -0.70 0.00 0.00 0.00 175.10 174.76 2kh2 s GLU 105 N 0.90 2.73 -0.52 2.72 2.12 -0.34 -3.92 118.70 122.38 2kh2 s GLU 105 Ca 0.01 -0.78 -0.23 0.00 0.36 0.00 0.00 54.97 54.34 2kh2 s GLU 105 Cb -0.14 -2.35 0.04 0.00 0.26 0.00 0.00 34.13 31.94 2kh2 s GLU 105 CO 0.02 0.43 0.83 0.42 -0.54 0.00 0.00 175.26 176.42 2kh2 s ILE 106 N -0.25 4.56 -0.46 -3.70 1.09 -1.26 -1.74 121.20 119.45 2kh2 s ILE 106 Ca 0.00 0.09 -0.20 0.00 -1.10 0.00 0.00 60.65 59.44 2kh2 s ILE 106 Cb -0.13 -4.44 0.03 0.00 -1.06 0.00 0.00 42.46 36.86 2kh2 s ILE 106 CO 0.03 -0.97 0.64 -0.54 -0.10 0.00 0.00 174.94 174.00 2kh2 s LYS 107 N 3.48 3.23 0.01 2.79 1.02 0.72 -4.94 119.74 126.05 2kh2 s LYS 107 Ca 0.26 -0.50 0.07 0.00 0.02 0.00 0.00 55.97 55.82 2kh2 s LYS 107 Cb -0.14 -3.99 -0.03 0.00 -0.52 0.00 0.00 37.83 33.15 2kh2 s LYS 107 CO 0.18 -1.07 -0.20 0.50 -0.92 0.00 0.00 175.35 173.83 2kh2 s ARG 108 N 2.80 2.11 0.29 1.68 3.52 -1.26 -4.28 118.95 123.80 2kh2 s ARG 108 Ca 0.21 -0.94 -0.03 0.00 -0.13 0.00 0.00 55.73 54.84 2kh2 s ARG 108 Cb -0.15 -2.16 0.42 0.00 -1.56 0.00 0.00 34.95 31.50 2kh2 s ARG 108 CO 0.17 0.55 1.96 1.15 -0.81 0.00 0.00 175.30 178.32 2kh2 h THR 109 N 4.17 1.21 0.00 4.11 2.02 -2.01 -3.48 112.91 118.93 2kh2 h THR 109 Ca -0.46 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.32 2kh2 h THR 109 Cb 1.15 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 2kh2 h THR 109 CO 0.47 0.21 0.00 0.61 0.37 0.00 0.00 175.52 177.18 2kh2 n GLY 110 N -1.40 -0.41 0.00 2.16 0.00 -1.26 -5.12 105.19 99.17 2kh2 n GLY 110 Ca 0.10 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 45.05 2kh2 n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kh2 n GLY 111 N 0.00 -1.30 0.00 -0.02 0.00 -1.26 -5.05 105.19 97.56 2kh2 n GLY 111 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.45 2kh2 n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kh2 n GLY 112 N 0.00 -1.05 2.16 -0.02 0.00 -1.26 -4.96 105.19 100.06 2kh2 n GLY 112 Ca 0.00 0.43 -0.18 0.00 0.00 0.00 0.00 46.02 46.27 2kh2 n GLY 112 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kh2 n GLY 113 N 0.00 3.63 3.56 -0.02 0.00 -1.26 -4.88 105.19 106.21 2kh2 n GLY 113 Ca 0.00 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 2kh2 n GLY 113 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kh2 s SER 114 N 1.15 6.34 0.38 1.61 1.04 -1.26 -4.95 113.70 118.01 2kh2 s SER 114 Ca 0.56 -0.17 -0.13 0.00 0.48 0.00 0.00 55.95 56.69 2kh2 s SER 114 Cb 0.32 -2.53 0.05 0.00 0.10 0.00 0.00 66.02 63.96 2kh2 s SER 114 CO -0.09 -1.52 0.73 0.61 0.98 0.00 0.00 173.24 173.94 2kh2 n GLY 115 N 5.16 1.16 0.00 7.32 0.00 -1.26 -5.14 105.19 112.43 2kh2 n GLY 115 Ca 0.05 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.77 2kh2 n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kh2 n GLY 116 N -0.52 3.34 0.00 -0.02 0.00 -1.26 -5.14 105.19 101.59 2kh2 n GLY 116 Ca -0.07 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.02 2kh2 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kh2 n GLY 117 N 5.00 -0.60 3.92 -0.02 0.00 -1.26 -5.16 105.19 107.06 2kh2 n GLY 117 Ca 0.00 -0.61 -0.27 0.00 0.00 0.00 0.00 46.02 45.14 2kh2 n GLY 117 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kh2 s GLY 118 N 0.00 1.65 0.05 -0.02 0.00 -1.26 -5.10 107.32 102.64 2kh2 s GLY 118 Ca 0.00 -0.83 0.03 0.00 0.00 0.00 0.00 44.72 43.92 2kh2 s GLY 118 CO 0.00 -0.38 -0.09 -1.35 0.00 0.00 0.00 173.10 171.28 2kh2 s SER 119 N -4.55 1.04 0.33 1.64 1.04 -1.26 -5.16 113.70 106.77 2kh2 s SER 119 Ca 0.61 -0.58 -0.01 0.00 0.48 0.00 0.00 55.95 56.45 2kh2 s SER 119 Cb -0.11 0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.03 2kh2 s SER 119 CO 0.47 -0.19 0.42 -0.83 0.98 0.00 0.00 173.24 174.08 2kh2 s GLY 120 N -1.68 1.58 0.00 7.32 0.00 -1.26 -5.07 107.32 108.21 2kh2 s GLY 120 Ca -0.07 -1.59 0.00 0.00 0.00 0.00 0.00 44.72 43.06 2kh2 s GLY 120 CO 0.01 -1.09 0.00 0.61 0.00 0.00 0.00 173.10 172.63 2kh2 n GLY 121 N -0.54 -0.82 3.71 0.20 0.00 -1.26 -5.04 105.19 101.43 2kh2 n GLY 121 Ca 0.02 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 2kh2 n GLY 121 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kh2 s GLY 122 N 0.00 2.38 -0.85 -0.02 0.00 -1.26 -3.05 107.32 104.52 2kh2 s GLY 122 Ca 0.00 0.79 -0.01 0.00 0.00 0.00 0.00 44.72 45.49 2kh2 s GLY 122 CO 0.00 2.06 0.19 0.61 0.00 0.00 0.00 173.10 175.96 2kh2 n GLY 123 N 3.23 0.01 2.80 0.20 0.00 -1.26 -4.93 105.19 105.24 2kh2 n GLY 123 Ca 0.09 -0.36 -0.02 0.00 0.00 0.00 0.00 46.02 45.73 2kh2 n GLY 123 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kh2 n SER 124 N -0.28 1.42 0.00 1.61 7.64 -1.17 -4.77 113.62 118.06 2kh2 n SER 124 Ca -0.09 -2.16 0.00 0.00 1.01 0.00 0.00 58.87 57.64 2kh2 n SER 124 Cb 0.58 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 2kh2 n SER 124 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kh2 n GLY 125 N -0.53 -1.89 2.58 0.23 0.00 -1.26 -4.56 105.19 99.75 2kh2 n GLY 125 Ca 0.06 0.54 -0.15 0.00 0.00 0.00 0.00 46.02 46.48 2kh2 n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kh2 n GLY 126 N -1.10 3.35 3.59 -0.02 0.00 -1.26 -5.07 105.19 104.68 2kh2 n GLY 126 Ca 0.00 -1.85 -0.05 0.00 0.00 0.00 0.00 46.02 44.12 2kh2 n GLY 126 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kh2 s GLY 127 N -3.36 -0.30 0.00 -0.02 0.00 -1.26 -5.08 107.32 97.30 2kh2 s GLY 127 Ca 0.36 1.58 0.00 0.00 0.00 0.00 0.00 44.72 46.66 2kh2 s GLY 127 CO -0.04 0.54 0.00 0.61 0.00 0.00 0.00 173.10 174.20 2kh2 n GLY 128 N -0.07 0.28 3.21 0.20 0.00 -1.26 -4.26 105.19 103.28 2kh2 n GLY 128 Ca -0.01 -1.28 -0.22 0.00 0.00 0.00 0.00 46.02 44.51 2kh2 n GLY 128 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kh2 s SER 129 N -4.00 2.05 -0.19 1.61 0.15 -1.26 -5.14 113.70 106.91 2kh2 s SER 129 Ca 0.00 -0.56 -0.15 0.00 0.70 0.00 0.00 55.95 55.94 2kh2 s SER 129 Cb 0.00 -0.12 0.06 0.00 -1.71 0.00 0.00 66.02 64.24 2kh2 s SER 129 CO 0.00 0.04 0.50 -0.70 1.20 0.00 0.00 173.24 174.28 2kh2 s GLU 130 N -1.46 0.55 -0.10 5.44 2.56 -1.26 -5.01 118.70 119.42 2kh2 s GLU 130 Ca 0.03 0.78 -0.03 0.00 0.00 0.00 0.00 54.97 55.75 2kh2 s GLU 130 Cb -0.09 0.19 -0.03 0.00 2.00 0.00 0.00 34.13 36.19 2kh2 s GLU 130 CO 0.02 -0.10 0.03 0.08 -0.56 0.00 0.00 175.26 174.73 2kh2 s VAL 131 N 0.73 4.55 -0.10 3.70 1.01 -1.26 -4.25 120.40 124.77 2kh2 s VAL 131 Ca -0.04 -0.15 -0.21 0.00 0.00 0.00 0.00 61.98 61.58 2kh2 s VAL 131 Cb -0.05 -2.93 0.05 0.00 0.00 0.00 0.00 36.38 33.45 2kh2 s VAL 131 CO -0.05 0.60 0.51 0.00 0.00 0.00 0.00 175.10 176.17 2kh2 s GLN 132 N -0.86 0.77 -0.27 2.72 -2.07 -1.09 -5.01 119.66 113.84 2kh2 s GLN 132 Ca 0.13 0.33 0.03 0.00 -1.82 0.00 0.00 55.36 54.02 2kh2 s GLN 132 Cb -0.12 0.36 0.06 0.00 -1.09 0.00 0.00 33.01 32.23 2kh2 s GLN 132 CO 0.03 -0.18 -0.08 -0.51 -1.32 0.00 0.00 175.29 173.22 2kh2 s LEU 133 N -0.63 3.46 -0.47 2.60 1.43 -1.26 -2.53 118.68 121.27 2kh2 s LEU 133 Ca -0.07 -1.46 -0.10 0.00 -1.03 0.00 0.00 54.13 51.47 2kh2 s LEU 133 Cb -0.03 -1.50 0.12 0.00 0.03 0.00 0.00 46.19 44.81 2kh2 s LEU 133 CO 0.05 -0.22 0.35 -0.69 0.23 0.00 0.00 176.35 176.07 2kh2 s VAL 134 N 1.13 4.29 0.02 -1.59 1.01 -0.25 -2.79 120.40 122.22 2kh2 s VAL 134 Ca -0.06 -1.74 -0.12 0.00 0.00 0.00 0.00 61.98 60.06 2kh2 s VAL 134 Cb -0.20 -3.81 -0.06 0.00 0.00 0.00 0.00 36.38 32.32 2kh2 s VAL 134 CO -0.06 -0.77 0.37 -1.61 0.00 0.00 0.00 175.10 173.04 2kh2 s GLU 135 N 1.38 3.80 0.32 2.72 8.01 -1.26 -0.62 118.70 133.05 2kh2 s GLU 135 Ca 0.05 0.25 -0.01 0.00 0.01 0.00 0.00 54.97 55.27 2kh2 s GLU 135 Cb -0.26 -3.13 0.01 0.00 -4.31 0.00 0.00 34.13 26.44 2kh2 s GLU 135 CO -0.00 0.65 0.44 0.43 0.01 0.00 0.00 175.26 176.78 2kh2 n SER 136 N 1.46 -1.22 0.00 -0.19 7.64 0.82 -4.65 113.62 117.48 2kh2 n SER 136 Ca -0.12 -2.72 0.00 0.00 1.01 0.00 0.00 58.87 57.04 2kh2 n SER 136 Cb 0.53 2.28 0.00 0.00 -1.01 0.00 0.00 64.21 66.01 2kh2 n SER 136 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kh2 n GLY 137 N -0.52 0.48 3.77 0.23 0.00 -1.26 -0.92 105.19 106.96 2kh2 n GLY 137 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2kh2 n GLY 137 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kh2 s GLY 138 N -1.15 1.64 0.00 -0.02 0.00 -1.26 -4.75 107.32 101.78 2kh2 s GLY 138 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.86 2kh2 s GLY 138 CO 0.00 -0.13 0.00 0.61 0.00 0.00 0.00 173.10 173.58 2kh2 n GLY 139 N -2.28 -0.97 3.47 0.20 0.00 -0.99 -4.99 105.19 99.62 2kh2 n GLY 139 Ca 0.11 -1.09 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 2kh2 n GLY 139 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kh2 s LEU 140 N 0.00 3.94 0.19 0.99 2.96 -1.26 -1.16 118.68 124.33 2kh2 s LEU 140 Ca 0.00 -0.34 0.09 0.00 -0.22 0.00 0.00 54.13 53.66 2kh2 s LEU 140 Cb 0.00 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 2kh2 s LEU 140 CO 0.00 -0.13 -0.19 0.68 -1.32 0.00 0.00 176.35 175.39 2kh2 s VAL 141 N 1.65 1.97 0.46 1.68 -7.23 -0.32 -4.98 120.40 113.63 2kh2 s VAL 141 Ca 0.06 -2.04 -0.20 0.00 -1.81 0.00 0.00 61.98 57.98 2kh2 s VAL 141 Cb -0.16 -1.98 -0.10 0.00 0.56 0.00 0.00 36.38 34.70 2kh2 s VAL 141 CO 0.07 -0.34 0.98 -1.58 -0.31 0.00 0.00 175.10 173.91 2kh2 s GLN 142 N -3.00 4.07 0.29 4.82 0.74 -1.19 -0.93 119.66 124.45 2kh2 s GLN 142 Ca 0.19 1.13 -0.29 0.00 0.05 0.00 0.00 55.36 56.43 2kh2 s GLN 142 Cb -0.05 -2.15 -0.13 0.00 1.10 0.00 0.00 33.01 31.78 2kh2 s GLN 142 CO 0.08 -0.17 1.33 -2.30 -0.55 0.00 0.00 175.29 173.68 2kh2 n PRO 143 N -0.94 2.04 -0.41 1.67 -0.02 -1.25 -1.55 135.00 134.53 2kh2 n PRO 143 Ca 0.07 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2kh2 n PRO 143 Cb 0.54 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 2kh2 n PRO 143 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kh2 n GLY 144 N 1.45 1.41 0.33 -1.23 0.00 0.72 -4.97 105.19 102.89 2kh2 n GLY 144 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.08 2kh2 n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kh2 n GLY 145 N -2.00 -1.03 3.09 -0.02 0.00 -0.60 -4.15 105.19 100.48 2kh2 n GLY 145 Ca 0.00 -1.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.23 2kh2 n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kh2 s SER 146 N -1.41 0.78 -0.02 1.61 0.01 -1.26 -1.49 113.70 111.93 2kh2 s SER 146 Ca 0.06 -0.80 -0.21 0.00 1.31 0.00 0.00 55.95 56.31 2kh2 s SER 146 Cb -0.00 0.10 0.04 0.00 0.21 0.00 0.00 66.02 66.37 2kh2 s SER 146 CO 0.04 -0.40 0.46 -0.76 0.41 0.00 0.00 173.24 173.00 2kh2 s LEU 147 N -2.36 0.23 -0.22 2.44 1.43 0.74 -5.00 118.68 115.94 2kh2 s LEU 147 Ca 0.00 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 2kh2 s LEU 147 Cb -0.01 1.80 0.05 0.00 0.03 0.00 0.00 46.19 48.07 2kh2 s LEU 147 CO -0.04 -0.54 -0.06 -0.60 0.23 0.00 0.00 176.35 175.35 2kh2 s ARG 148 N -1.43 1.62 0.32 1.70 3.52 -1.26 -0.03 118.95 123.39 2kh2 s ARG 148 Ca -0.12 -0.87 -0.22 0.00 -0.13 0.00 0.00 55.73 54.40 2kh2 s ARG 148 Cb -0.03 -2.46 -0.10 0.00 -1.56 0.00 0.00 34.95 30.81 2kh2 s ARG 148 CO 0.05 -0.55 0.86 -0.51 -0.81 0.00 0.00 175.30 174.35 2kh2 s LEU 149 N 1.45 4.20 -0.15 -0.88 1.43 -0.12 -4.80 118.68 119.81 2kh2 s LEU 149 Ca -0.04 1.62 0.00 0.00 -1.03 0.00 0.00 54.13 54.68 2kh2 s LEU 149 Cb -0.18 -4.05 0.03 0.00 0.03 0.00 0.00 46.19 42.02 2kh2 s LEU 149 CO -0.07 -0.13 -0.12 -0.44 0.23 0.00 0.00 176.35 175.81 2kh2 s SER 150 N -1.86 2.75 -0.24 2.29 0.01 -0.10 -0.93 113.70 115.63 2kh2 s SER 150 Ca 0.52 -0.54 -0.06 0.00 1.31 0.00 0.00 55.95 57.18 2kh2 s SER 150 Cb -0.15 -1.14 -0.02 0.00 0.21 0.00 0.00 66.02 64.93 2kh2 s SER 150 CO 0.20 -0.09 0.03 0.00 0.41 0.00 0.00 173.24 173.79 2kh2 s ALA 152 N 1.56 3.57 -0.10 0.00 0.00 0.20 -0.33 121.76 126.67 2kh2 s ALA 152 Ca 0.06 -0.43 -0.03 0.00 0.00 0.00 0.00 51.96 51.56 2kh2 s ALA 152 Cb -0.15 -2.91 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 2kh2 s ALA 152 CO 0.01 -0.62 0.02 0.00 0.00 0.00 0.00 175.76 175.17 2kh2 s ALA 153 N 2.05 3.34 0.16 0.00 0.00 0.36 -1.09 121.76 126.59 2kh2 s ALA 153 Ca 0.25 -0.79 -0.18 0.00 0.00 0.00 0.00 51.96 51.24 2kh2 s ALA 153 Cb -0.16 -1.56 0.04 0.00 0.00 0.00 0.00 23.12 21.44 2kh2 s ALA 153 CO 0.09 0.55 0.49 -1.54 0.00 0.00 0.00 175.76 175.35 2kh2 s SER 154 N -0.76 -0.31 0.00 0.00 1.04 -1.05 -4.76 113.70 107.86 2kh2 s SER 154 Ca 0.12 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.22 2kh2 s SER 154 Cb -0.12 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.54 2kh2 s SER 154 CO 0.02 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.90 2kh2 n GLY 155 N -0.30 0.77 3.39 7.32 0.00 -1.26 -2.68 105.19 112.42 2kh2 n GLY 155 Ca -0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 2kh2 n GLY 155 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2kh2 s PHE 156 N -2.94 0.03 -1.17 1.61 -0.71 -1.26 -4.64 117.98 108.90 2kh2 s PHE 156 Ca 0.00 -0.38 -0.21 0.00 -1.04 0.00 0.00 56.93 55.30 2kh2 s PHE 156 Cb 0.00 0.19 0.00 0.00 -1.21 0.00 0.00 43.02 42.00 2kh2 s PHE 156 CO 0.00 -0.77 1.78 0.34 -1.34 0.00 0.00 175.22 175.23 2kh2 s ASP 157 N -2.88 6.00 0.46 1.98 3.68 -1.26 -4.80 116.67 119.86 2kh2 s ASP 157 Ca 0.09 -1.82 0.20 0.00 2.13 0.00 0.00 52.55 53.15 2kh2 s ASP 157 Cb 0.01 -2.58 1.18 0.00 -1.45 0.00 0.00 42.92 40.09 2kh2 s ASP 157 CO -0.05 -2.02 1.93 0.15 0.13 0.00 0.00 175.17 175.31 2kh2 h PHE 158 N 9.07 0.32 0.00 -5.34 3.57 -1.96 -0.18 116.94 122.41 2kh2 h PHE 158 Ca 0.29 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.80 2kh2 h PHE 158 Cb 0.93 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.57 2kh2 h PHE 158 CO 1.31 0.12 0.00 0.66 -2.23 0.00 0.00 178.31 178.17 2kh2 h SER 159 N 0.27 0.00 -0.20 0.41 4.64 -1.92 -3.21 113.55 113.53 2kh2 h SER 159 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 2kh2 h SER 159 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 2kh2 h SER 159 CO -0.08 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.42 2kh2 n ARG 160 N -2.38 2.61 -4.40 4.77 1.74 -0.12 -4.86 116.66 114.02 2kh2 n ARG 160 Ca 0.04 -1.76 -0.20 0.00 -0.77 0.00 0.00 57.85 55.16 2kh2 n ARG 160 Cb 0.38 -1.17 -0.14 0.00 -1.02 0.00 0.00 32.46 30.51 2kh2 n ARG 160 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2kh2 s TYR 161 N -0.96 1.18 0.23 -1.55 2.02 -0.98 -5.03 117.35 112.25 2kh2 s TYR 161 Ca 0.14 -0.32 -0.13 0.00 -0.37 0.00 0.00 57.07 56.40 2kh2 s TYR 161 Cb 0.08 -0.72 -0.08 0.00 -0.40 0.00 0.00 41.96 40.84 2kh2 s TYR 161 CO 0.10 0.02 0.60 -0.51 -1.57 0.00 0.00 175.55 174.19 2kh2 s ASP 162 N -0.93 6.74 0.26 2.29 -0.00 -1.23 -4.56 116.67 119.24 2kh2 s ASP 162 Ca 0.02 1.07 0.07 0.00 -0.00 0.00 0.00 52.55 53.71 2kh2 s ASP 162 Cb -0.07 -2.29 -0.05 0.00 -0.00 0.00 0.00 42.92 40.51 2kh2 s ASP 162 CO 0.01 -0.05 -0.08 -0.04 -0.00 0.00 0.00 175.17 175.01 2kh2 s MET 163 N -2.57 1.48 0.27 8.23 -1.94 -1.07 -0.67 119.30 123.03 2kh2 s MET 163 Ca 0.46 -1.73 -0.10 0.00 -1.71 0.00 0.00 55.69 52.61 2kh2 s MET 163 Cb -0.12 -1.12 -0.00 0.00 2.01 0.00 0.00 34.83 35.60 2kh2 s MET 163 CO 0.20 0.07 0.47 -1.12 -0.01 0.00 0.00 175.02 174.63 2kh2 s SER 164 N -3.40 0.15 -0.05 3.03 0.01 -0.25 -1.29 113.70 111.90 2kh2 s SER 164 Ca 0.28 -1.10 0.04 0.00 1.31 0.00 0.00 55.95 56.48 2kh2 s SER 164 Cb 0.03 0.61 -0.00 0.00 0.21 0.00 0.00 66.02 66.86 2kh2 s SER 164 CO 0.10 -1.19 -0.18 0.26 0.41 0.00 0.00 173.24 172.64 2kh2 s TRP 165 N -3.71 1.85 -0.04 2.43 0.52 -0.27 -1.40 118.94 118.32 2kh2 s TRP 165 Ca 0.25 -0.57 0.02 0.00 0.02 0.00 0.00 56.10 55.82 2kh2 s TRP 165 Cb -0.00 -1.25 0.01 0.00 -1.15 0.00 0.00 33.47 31.07 2kh2 s TRP 165 CO 0.12 -0.21 -0.10 0.08 0.02 0.00 0.00 176.95 176.86 2kh2 s VAL 166 N 0.11 0.89 0.25 4.03 1.01 -0.96 -0.13 120.40 125.60 2kh2 s VAL 166 Ca -0.06 -0.39 0.10 0.00 0.00 0.00 0.00 61.98 61.63 2kh2 s VAL 166 Cb -0.13 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.40 2kh2 s VAL 166 CO 0.03 0.28 -0.09 0.00 0.00 0.00 0.00 175.10 175.32 2kh2 s ARG 167 N 0.38 2.02 -0.15 2.72 1.70 0.42 -0.30 118.95 125.74 2kh2 s ARG 167 Ca -0.07 -1.51 -0.04 0.00 -0.47 0.00 0.00 55.73 53.64 2kh2 s ARG 167 Cb -0.11 -2.02 0.06 0.00 -0.57 0.00 0.00 34.95 32.30 2kh2 s ARG 167 CO 0.01 0.37 0.11 -1.14 -1.08 0.00 0.00 175.30 173.57 2kh2 s GLN 168 N -3.42 0.06 0.47 3.89 0.74 0.75 0.25 119.66 122.40 2kh2 s GLN 168 Ca 0.29 0.10 -0.21 0.00 0.05 0.00 0.00 55.36 55.59 2kh2 s GLN 168 Cb -0.06 -1.37 -0.08 0.00 1.10 0.00 0.00 33.01 32.59 2kh2 s GLN 168 CO 0.17 -0.58 1.04 0.00 -0.55 0.00 0.00 175.29 175.37 2kh2 s ALA 169 N 2.19 2.90 -0.21 1.58 0.00 -1.24 -1.13 121.76 125.85 2kh2 s ALA 169 Ca 0.03 0.63 -0.32 0.00 0.00 0.00 0.00 51.96 52.30 2kh2 s ALA 169 Cb -0.15 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 19.62 2kh2 s ALA 169 CO -0.08 -0.31 2.09 -2.30 0.00 0.00 0.00 175.76 175.16 2kh2 n PRO 170 N -0.84 1.79 -2.28 0.00 -0.02 -1.26 -1.23 135.00 131.16 2kh2 n PRO 170 Ca 0.09 0.56 -0.07 0.00 -2.02 0.00 0.00 63.50 62.06 2kh2 n PRO 170 Cb 0.52 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 2kh2 n PRO 170 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kh2 n GLY 171 N 5.52 0.17 0.00 -1.23 0.00 -1.26 -5.00 105.19 103.38 2kh2 n GLY 171 Ca 0.31 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2kh2 n GLY 171 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kh2 n LYS 172 N -1.72 0.28 -3.91 1.61 4.81 -0.36 -5.19 118.16 113.68 2kh2 n LYS 172 Ca -0.06 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.21 2kh2 n LYS 172 Cb 0.55 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.54 2kh2 n LYS 172 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 2kh2 n ARG 173 N 0.00 0.42 -3.02 1.64 1.85 -1.26 -4.93 116.66 111.37 2kh2 n ARG 173 Ca 0.00 -2.83 -0.41 0.00 -1.00 0.00 0.00 57.85 53.61 2kh2 n ARG 173 Cb 0.00 2.41 -0.05 0.00 -1.05 0.00 0.00 32.46 33.77 2kh2 n ARG 173 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2kh2 s LEU 174 N 0.00 4.12 -0.06 2.89 1.43 -1.26 -3.61 118.68 122.19 2kh2 s LEU 174 Ca 0.33 0.92 0.05 0.00 -1.03 0.00 0.00 54.13 54.40 2kh2 s LEU 174 Cb 0.01 -3.02 -0.02 0.00 0.03 0.00 0.00 46.19 43.20 2kh2 s LEU 174 CO 0.23 -0.38 -0.22 -1.83 0.23 0.00 0.00 176.35 174.39 2kh2 s GLU 175 N 2.31 2.54 0.27 1.70 -1.05 0.14 -3.45 118.70 121.16 2kh2 s GLU 175 Ca 0.31 -0.85 -0.30 0.00 -0.15 0.00 0.00 54.97 53.99 2kh2 s GLU 175 Cb -0.16 -2.22 -0.10 0.00 -0.44 0.00 0.00 34.13 31.21 2kh2 s GLU 175 CO 0.10 0.44 1.43 -0.46 0.95 0.00 0.00 175.26 177.72 2kh2 s TRP 176 N -0.30 2.99 -0.18 4.83 -0.00 -1.26 -0.43 118.94 124.59 2kh2 s TRP 176 Ca 0.01 1.09 -0.02 0.00 -0.00 0.00 0.00 56.10 57.17 2kh2 s TRP 176 Cb -0.13 -3.82 -0.10 0.00 -0.00 0.00 0.00 33.47 29.42 2kh2 s TRP 176 CO 0.02 -2.59 -0.18 0.28 -0.00 0.00 0.00 176.95 174.48 2kh2 n VAL 177 N 1.99 1.00 -3.62 5.86 0.31 0.82 -4.85 118.33 119.84 2kh2 n VAL 177 Ca 0.05 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 2kh2 n VAL 177 Cb 0.40 -1.34 -0.01 0.00 -0.91 0.00 0.00 33.84 31.99 2kh2 n VAL 177 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kh2 s ALA 178 N -2.34 -2.19 -0.05 3.52 0.00 -1.16 -4.46 121.76 115.07 2kh2 s ALA 178 Ca -0.24 0.81 0.02 0.00 0.00 0.00 0.00 51.96 52.55 2kh2 s ALA 178 Cb 0.07 0.30 0.01 0.00 0.00 0.00 0.00 23.12 23.51 2kh2 s ALA 178 CO 0.37 -0.99 -0.11 -0.47 0.00 0.00 0.00 175.76 174.57 2kh2 s TYR 179 N -2.46 1.28 -0.31 0.00 6.14 -0.85 -1.11 117.35 120.04 2kh2 s TYR 179 Ca 0.13 -0.43 0.02 0.00 0.64 0.00 0.00 57.07 57.43 2kh2 s TYR 179 Cb 0.04 -0.95 0.09 0.00 0.42 0.00 0.00 41.96 41.56 2kh2 s TYR 179 CO -0.04 -0.23 0.04 -1.50 0.64 0.00 0.00 175.55 174.46 2kh2 s ILE 180 N 0.58 1.74 0.87 3.14 1.10 -0.41 -3.69 121.20 124.53 2kh2 s ILE 180 Ca -0.12 -1.85 -0.11 0.00 -0.51 0.00 0.00 60.65 58.07 2kh2 s ILE 180 Cb -0.14 -2.22 0.12 0.00 0.15 0.00 0.00 42.46 40.36 2kh2 s ILE 180 CO 0.03 -0.51 1.14 -0.94 -2.11 0.00 0.00 174.94 172.55 2kh2 s SER 181 N 1.20 3.35 0.21 4.50 1.04 -1.26 -2.60 113.70 120.15 2kh2 s SER 181 Ca 0.07 2.15 -0.20 0.00 0.48 0.00 0.00 55.95 58.44 2kh2 s SER 181 Cb -0.19 -2.56 0.17 0.00 0.10 0.00 0.00 66.02 63.54 2kh2 s SER 181 CO -0.12 -2.82 1.56 0.77 0.98 0.00 0.00 173.24 173.61 2kh2 h SER 182 N -1.55 -1.49 -0.00 7.02 4.64 -1.92 -2.95 113.55 117.30 2kh2 h SER 182 Ca -0.44 0.30 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2kh2 h SER 182 Cb 1.26 0.75 0.00 0.00 -0.31 0.00 0.00 62.40 64.10 2kh2 h SER 182 CO 0.44 -0.29 -0.19 0.61 -0.87 0.00 0.00 176.83 176.54 2kh2 n GLY 183 N -1.44 -0.01 0.17 -0.77 0.00 -1.26 -4.95 105.19 96.94 2kh2 n GLY 183 Ca 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2kh2 n GLY 183 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kh2 n GLY 184 N 0.88 1.32 0.21 -0.02 0.00 -1.12 -5.01 105.19 101.45 2kh2 n GLY 184 Ca 0.02 -0.08 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 2kh2 n GLY 184 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2kh2 h GLY 185 N 0.00 0.42 -5.84 -0.02 0.00 -1.94 -3.44 103.07 92.25 2kh2 h GLY 185 Ca 0.00 -0.43 -0.12 0.00 0.00 0.00 0.00 47.33 46.78 2kh2 h GLY 185 CO 0.00 0.39 -0.36 -0.56 0.00 0.00 0.00 176.54 176.01 2kh2 s SER 186 N -6.87 -0.32 -0.33 0.19 0.01 -1.26 -5.13 113.70 99.99 2kh2 s SER 186 Ca -0.06 0.88 -0.15 0.00 1.31 0.00 0.00 55.95 57.93 2kh2 s SER 186 Cb 0.13 0.95 -0.02 0.00 0.21 0.00 0.00 66.02 67.28 2kh2 s SER 186 CO 0.80 -0.21 0.35 0.42 0.41 0.00 0.00 173.24 175.01 2kh2 s THR 187 N 1.92 5.18 -0.25 1.44 -4.23 -1.26 -4.22 115.64 114.21 2kh2 s THR 187 Ca -0.06 0.14 -0.09 0.00 -1.18 0.00 0.00 61.69 60.51 2kh2 s THR 187 Cb -0.10 -3.78 -0.04 0.00 1.34 0.00 0.00 72.50 69.93 2kh2 s THR 187 CO -0.12 -0.02 0.11 -0.31 -0.54 0.00 0.00 174.62 173.73 2kh2 s TYR 188 N 2.00 3.15 -0.14 3.99 2.02 -1.24 -5.03 117.35 122.10 2kh2 s TYR 188 Ca 0.12 -0.19 0.00 0.00 -0.37 0.00 0.00 57.07 56.63 2kh2 s TYR 188 Cb -0.16 -2.26 0.03 0.00 -0.40 0.00 0.00 41.96 39.16 2kh2 s TYR 188 CO 0.11 -0.23 -0.11 -0.06 -1.57 0.00 0.00 175.55 173.69 2kh2 s PHE 189 N 1.51 1.89 0.49 2.71 0.08 -1.26 -2.01 117.98 121.38 2kh2 s PHE 189 Ca 0.06 -1.04 -0.24 0.00 0.12 0.00 0.00 56.93 55.83 2kh2 s PHE 189 Cb -0.15 -1.44 -0.07 0.00 -0.57 0.00 0.00 43.02 40.79 2kh2 s PHE 189 CO 0.06 -0.61 1.36 -2.30 -0.10 0.00 0.00 175.22 173.62 2kh2 n PRO 190 N 4.84 1.94 -0.32 0.24 -0.02 -1.26 -4.75 135.00 135.67 2kh2 n PRO 190 Ca -0.15 0.70 0.11 0.00 -2.02 0.00 0.00 63.50 62.14 2kh2 n PRO 190 Cb 0.50 -2.55 0.33 0.00 -0.02 0.00 0.00 33.50 31.76 2kh2 n PRO 190 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2kh2 h ASP 191 N 1.87 0.76 -0.02 2.55 5.19 -1.97 -0.06 116.42 124.75 2kh2 h ASP 191 Ca -0.50 0.06 -0.04 0.00 -0.62 0.00 0.00 57.03 55.93 2kh2 h ASP 191 Cb 1.29 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.70 2kh2 h ASP 191 CO 0.59 0.36 -0.07 0.74 -3.12 0.00 0.00 179.24 177.73 2kh2 h THR 192 N 0.79 1.14 -0.01 0.35 2.02 -1.96 -2.86 112.91 112.38 2kh2 h THR 192 Ca 0.50 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 67.08 2kh2 h THR 192 Cb 0.73 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 2kh2 h THR 192 CO -0.27 0.19 -0.43 1.33 0.37 0.00 0.00 175.52 176.71 2kh2 n VAL 193 N -4.34 0.00 -1.67 3.16 0.24 -0.49 -4.95 118.33 110.28 2kh2 n VAL 193 Ca -0.01 -0.28 -0.61 0.00 -2.04 0.00 0.00 64.34 61.40 2kh2 n VAL 193 Cb 0.22 1.20 -0.08 0.00 -1.47 0.00 0.00 33.84 33.70 2kh2 n VAL 193 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2kh2 n LYS 194 N -0.20 0.70 0.00 7.34 5.02 -0.16 -0.93 118.16 129.93 2kh2 n LYS 194 Ca 0.07 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 2kh2 n LYS 194 Cb 0.38 -1.90 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 2kh2 n LYS 194 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kh2 n GLY 195 N 4.57 2.87 0.09 0.72 0.00 -1.26 -4.80 105.19 107.37 2kh2 n GLY 195 Ca 0.31 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.24 2kh2 n GLY 195 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2kh2 h ARG 196 N 0.23 0.02 -6.57 1.61 3.08 -1.29 -3.46 114.38 107.99 2kh2 h ARG 196 Ca 0.00 -0.04 -0.69 0.00 0.07 0.00 0.00 59.98 59.32 2kh2 h ARG 196 Cb 0.00 0.02 -0.22 0.00 0.08 0.00 0.00 29.97 29.84 2kh2 h ARG 196 CO 0.00 0.56 -0.81 -0.06 -1.07 0.00 0.00 179.97 178.60 2kh2 s PHE 197 N -2.60 2.55 -0.15 3.04 0.40 -0.95 -0.40 117.98 119.87 2kh2 s PHE 197 Ca -0.06 -0.26 -0.08 0.00 -0.60 0.00 0.00 56.93 55.92 2kh2 s PHE 197 Cb 0.08 -1.47 0.05 0.00 0.51 0.00 0.00 43.02 42.20 2kh2 s PHE 197 CO 0.82 0.24 0.36 0.99 0.70 0.00 0.00 175.22 178.34 2kh2 s THR 198 N -0.91 -0.03 0.23 0.64 2.01 -0.30 -4.88 115.64 112.40 2kh2 s THR 198 Ca 0.14 0.10 0.07 0.00 0.31 0.00 0.00 61.69 62.31 2kh2 s THR 198 Cb -0.10 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.83 2kh2 s THR 198 CO 0.05 0.04 0.14 0.27 -0.69 0.00 0.00 174.62 174.43 2kh2 s ILE 199 N 1.27 4.28 -0.01 1.82 -0.00 -1.26 0.24 121.20 127.54 2kh2 s ILE 199 Ca -0.09 -1.40 -0.14 0.00 -0.00 0.00 0.00 60.65 59.02 2kh2 s ILE 199 Cb -0.08 -3.27 0.02 0.00 -0.00 0.00 0.00 42.46 39.13 2kh2 s ILE 199 CO -0.11 -0.28 0.30 -0.44 -0.00 0.00 0.00 174.94 174.41 2kh2 s SER 200 N -3.60 -0.17 0.04 4.36 0.01 -0.21 -4.96 113.70 109.17 2kh2 s SER 200 Ca 0.32 0.04 0.05 0.00 1.31 0.00 0.00 55.95 57.66 2kh2 s SER 200 Cb -0.08 0.31 -0.02 0.00 0.21 0.00 0.00 66.02 66.44 2kh2 s SER 200 CO 0.23 -0.46 -0.13 0.00 0.41 0.00 0.00 173.24 173.29 2kh2 s ARG 201 N -1.48 0.89 -0.25 12.44 1.70 -1.26 -0.30 118.95 130.68 2kh2 s ARG 201 Ca -0.13 -0.72 0.03 0.00 -0.47 0.00 0.00 55.73 54.44 2kh2 s ARG 201 Cb -0.05 -0.89 0.06 0.00 -0.57 0.00 0.00 34.95 33.50 2kh2 s ARG 201 CO 0.03 0.22 -0.11 0.34 -1.08 0.00 0.00 175.30 174.70 2kh2 s ASP 202 N -1.09 4.35 0.00 -2.89 2.15 -0.33 -4.98 116.67 113.88 2kh2 s ASP 202 Ca 0.01 -1.35 0.31 0.00 0.43 0.00 0.00 52.55 51.95 2kh2 s ASP 202 Cb -0.08 -1.53 1.59 0.00 -0.30 0.00 0.00 42.92 42.60 2kh2 s ASP 202 CO 0.01 -0.18 2.09 -0.46 -0.17 0.00 0.00 175.17 176.46 2kh2 n ASN 203 N 4.45 0.00 -0.08 -0.34 0.23 -1.26 -1.66 115.26 116.60 2kh2 n ASN 203 Ca -0.14 -0.29 -0.15 0.00 -0.53 0.00 0.00 54.58 53.47 2kh2 n ASN 203 Cb 0.43 -0.24 -0.11 0.00 -2.08 0.00 0.00 39.78 37.77 2kh2 n ASN 203 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kh2 h ALA 204 N 3.52 0.09 -0.62 -2.53 0.00 -1.96 -3.36 119.26 114.40 2kh2 h ALA 204 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2kh2 h ALA 204 Cb 0.24 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2kh2 h ALA 204 CO 0.00 0.25 0.00 1.63 0.00 0.00 0.00 179.25 181.13 2kh2 n LYS 205 N -4.56 2.68 -3.67 0.00 5.02 -1.25 -4.99 118.16 111.39 2kh2 n LYS 205 Ca -0.17 -2.51 -0.27 0.00 -2.02 0.00 0.00 58.31 53.35 2kh2 n LYS 205 Cb 0.51 -1.52 0.02 0.00 -0.02 0.00 0.00 35.03 34.02 2kh2 n LYS 205 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2kh2 n ASN 206 N 1.49 -5.44 -3.90 4.39 3.02 -0.66 -4.75 115.26 109.40 2kh2 n ASN 206 Ca 0.22 -0.89 -0.11 0.00 -0.03 0.00 0.00 54.58 53.77 2kh2 n ASN 206 Cb 0.60 -2.98 -0.10 0.00 -0.61 0.00 0.00 39.78 36.68 2kh2 n ASN 206 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2kh2 s THR 207 N -3.27 0.09 -0.13 3.41 -1.32 -0.90 -0.48 115.64 113.03 2kh2 s THR 207 Ca 0.27 -0.71 -0.04 0.00 -1.21 0.00 0.00 61.69 60.00 2kh2 s THR 207 Cb -0.11 -0.35 -0.03 0.00 -1.51 0.00 0.00 72.50 70.49 2kh2 s THR 207 CO 0.87 -0.39 0.02 -0.76 -2.21 0.00 0.00 174.62 172.15 2kh2 s LEU 208 N -1.29 3.65 -0.30 9.08 1.43 0.55 -1.19 118.68 130.61 2kh2 s LEU 208 Ca -0.14 0.09 -0.03 0.00 -1.03 0.00 0.00 54.13 53.03 2kh2 s LEU 208 Cb -0.08 -1.88 0.04 0.00 0.03 0.00 0.00 46.19 44.31 2kh2 s LEU 208 CO 0.01 0.27 0.01 -0.31 0.23 0.00 0.00 176.35 176.56 2kh2 s TYR 209 N -0.24 3.24 -0.42 0.29 2.02 0.58 -0.78 117.35 122.04 2kh2 s TYR 209 Ca 0.06 -1.74 -0.15 0.00 -0.37 0.00 0.00 57.07 54.87 2kh2 s TYR 209 Cb -0.12 -2.13 0.03 0.00 -0.40 0.00 0.00 41.96 39.33 2kh2 s TYR 209 CO 0.02 -0.78 0.32 -1.17 -1.57 0.00 0.00 175.55 172.37 2kh2 s LEU 210 N 1.29 5.20 -0.25 -1.29 2.96 -0.11 -1.04 118.68 125.45 2kh2 s LEU 210 Ca -0.04 -0.98 -0.23 0.00 -0.22 0.00 0.00 54.13 52.66 2kh2 s LEU 210 Cb -0.19 -2.17 -0.01 0.00 0.50 0.00 0.00 46.19 44.32 2kh2 s LEU 210 CO -0.01 -0.49 0.77 -1.58 -1.32 0.00 0.00 176.35 173.73 2kh2 s GLN 211 N 1.68 4.16 -0.31 1.98 2.00 0.14 -0.94 119.66 128.37 2kh2 s GLN 211 Ca 0.05 0.83 0.01 0.00 -2.00 0.00 0.00 55.36 54.24 2kh2 s GLN 211 Cb -0.20 -3.65 0.07 0.00 0.80 0.00 0.00 33.01 30.03 2kh2 s GLN 211 CO 0.09 -0.49 -0.01 -1.64 -0.50 0.00 0.00 175.29 172.75 2kh2 s MET 212 N 2.75 2.16 0.25 1.67 -1.94 0.95 -1.15 119.30 123.99 2kh2 s MET 212 Ca 0.32 -1.46 0.09 0.00 -1.71 0.00 0.00 55.69 52.94 2kh2 s MET 212 Cb -0.15 -3.13 -0.04 0.00 2.01 0.00 0.00 34.83 33.51 2kh2 s MET 212 CO 0.08 -0.71 -0.01 0.54 -0.01 0.00 0.00 175.02 174.91 2kh2 s ASN 213 N 1.21 4.54 -1.39 3.03 4.22 0.46 -0.19 114.94 126.83 2kh2 s ASN 213 Ca -0.02 -0.61 -0.01 0.00 -2.14 0.00 0.00 52.86 50.07 2kh2 s ASN 213 Cb -0.20 -0.85 0.01 0.00 1.28 0.00 0.00 41.25 41.49 2kh2 s ASN 213 CO -0.04 0.02 0.55 -1.54 -2.04 0.00 0.00 177.10 174.05 2kh2 n SER 214 N -0.73 -0.86 -4.69 3.54 3.41 -0.82 -4.62 113.62 108.84 2kh2 n SER 214 Ca -0.07 -0.93 -0.42 0.00 -0.26 0.00 0.00 58.87 57.18 2kh2 n SER 214 Cb 0.58 -3.42 -0.03 0.00 -0.26 0.00 0.00 64.21 61.09 2kh2 n SER 214 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2kh2 s LEU 215 N -6.89 4.37 0.44 1.04 1.43 -0.55 -4.70 118.68 113.82 2kh2 s LEU 215 Ca 0.05 2.50 0.07 0.00 -1.03 0.00 0.00 54.13 55.72 2kh2 s LEU 215 Cb -0.03 -3.56 0.02 0.00 0.03 0.00 0.00 46.19 42.65 2kh2 s LEU 215 CO 0.86 -0.91 0.61 -0.13 0.23 0.00 0.00 176.35 177.01 2kh2 s ARG 216 N 2.81 2.77 0.44 1.70 0.52 -1.26 -0.20 118.95 125.73 2kh2 s ARG 216 Ca 0.75 -1.20 0.12 0.00 -0.52 0.00 0.00 55.73 54.88 2kh2 s ARG 216 Cb -0.40 -2.72 0.99 0.00 0.52 0.00 0.00 34.95 33.34 2kh2 s ARG 216 CO 0.33 -0.35 2.03 0.00 0.02 0.00 0.00 175.30 177.32 2kh2 h ALA 217 N 0.54 1.73 0.00 2.13 0.00 -1.95 -0.50 119.26 121.22 2kh2 h ALA 217 Ca -0.40 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2kh2 h ALA 217 Cb 1.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2kh2 h ALA 217 CO 0.46 0.21 0.00 -0.85 0.00 0.00 0.00 179.25 179.06 2kh2 n GLU 218 N -4.40 0.10 0.00 0.00 0.28 -1.26 -2.44 120.64 112.92 2kh2 n GLU 218 Ca -0.01 0.28 0.15 0.00 -0.16 0.00 0.00 57.16 57.42 2kh2 n GLU 218 Cb 0.17 -1.67 0.68 0.00 1.43 0.00 0.00 31.44 32.05 2kh2 n GLU 218 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2kh2 n ASP 219 N -1.85 0.67 -4.65 -1.84 8.00 -0.20 -4.82 116.55 111.86 2kh2 n ASP 219 Ca 0.04 -1.00 -0.43 0.00 0.71 0.00 0.00 54.79 54.11 2kh2 n ASP 219 Cb 0.24 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.29 2kh2 n ASP 219 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2kh2 s THR 220 N -2.19 3.72 -0.04 -3.53 2.01 -1.02 -4.87 115.64 109.73 2kh2 s THR 220 Ca 0.37 0.85 -0.21 0.00 0.31 0.00 0.00 61.69 63.01 2kh2 s THR 220 Cb 0.21 -3.62 0.07 0.00 0.01 0.00 0.00 72.50 69.17 2kh2 s THR 220 CO 0.40 -0.16 0.96 0.00 -0.69 0.00 0.00 174.62 175.13 2kh2 n ALA 221 N 7.58 -2.72 -2.82 7.40 0.00 -0.81 -4.58 120.51 124.55 2kh2 n ALA 221 Ca 0.17 -0.55 -0.36 0.00 0.00 0.00 0.00 53.44 52.70 2kh2 n ALA 221 Cb 0.44 0.06 -0.07 0.00 0.00 0.00 0.00 19.45 19.88 2kh2 n ALA 221 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2kh2 s VAL 222 N -2.03 5.16 -0.25 0.00 1.01 -0.29 -1.78 120.40 122.22 2kh2 s VAL 222 Ca 0.23 0.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.26 2kh2 s VAL 222 Cb -0.00 -3.24 0.02 0.00 0.00 0.00 0.00 36.38 33.16 2kh2 s VAL 222 CO -0.01 0.60 -0.04 -0.31 0.00 0.00 0.00 175.10 175.33 2kh2 s TYR 223 N -0.85 3.06 -0.09 5.22 1.51 0.37 -0.18 117.35 126.39 2kh2 s TYR 223 Ca 0.14 -1.41 -0.03 0.00 -1.01 0.00 0.00 57.07 54.75 2kh2 s TYR 223 Cb -0.12 -2.09 -0.03 0.00 -0.11 0.00 0.00 41.96 39.61 2kh2 s TYR 223 CO 0.03 -0.69 0.03 0.71 -1.11 0.00 0.00 175.55 174.52 2kh2 s TYR 224 N 1.36 3.26 0.23 2.71 1.51 0.59 0.37 117.35 127.37 2kh2 s TYR 224 Ca 0.01 0.26 -0.30 0.00 -1.01 0.00 0.00 57.07 56.04 2kh2 s TYR 224 Cb -0.16 -1.83 -0.09 0.00 -0.11 0.00 0.00 41.96 39.77 2kh2 s TYR 224 CO -0.04 0.52 1.01 0.00 -1.11 0.00 0.00 175.55 175.93 2kh2 s ALA 226 N -0.91 1.27 0.03 0.00 0.00 -0.49 -0.77 121.76 120.89 2kh2 s ALA 226 Ca 0.44 -0.79 0.08 0.00 0.00 0.00 0.00 51.96 51.69 2kh2 s ALA 226 Cb -0.28 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 2kh2 s ALA 226 CO 0.35 0.27 -0.24 0.50 0.00 0.00 0.00 175.76 176.64 2kh2 s ARG 227 N -0.87 1.68 -0.19 0.00 3.52 -0.89 -1.09 118.95 121.11 2kh2 s ARG 227 Ca 0.04 -1.01 -0.01 0.00 -0.13 0.00 0.00 55.73 54.63 2kh2 s ARG 227 Cb -0.07 -1.79 0.01 0.00 -1.56 0.00 0.00 34.95 31.53 2kh2 s ARG 227 CO 0.01 0.47 -0.15 -0.65 -0.81 0.00 0.00 175.30 174.17 2kh2 s GLN 228 N -1.10 3.14 -0.11 5.12 -0.21 0.15 -1.40 119.66 125.26 2kh2 s GLN 228 Ca 0.10 -0.76 0.07 0.00 0.02 0.00 0.00 55.36 54.79 2kh2 s GLN 228 Cb -0.09 -2.71 0.40 0.00 1.00 0.00 0.00 33.01 31.60 2kh2 s GLN 228 CO 0.01 -0.17 1.12 0.27 -2.12 0.00 0.00 175.29 174.40 2kh2 n ASN 229 N 4.59 3.22 -0.59 5.90 6.94 -1.26 -3.56 115.26 130.50 2kh2 n ASN 229 Ca -0.20 -2.42 0.00 0.00 -0.02 0.00 0.00 54.58 51.94 2kh2 n ASN 229 Cb 0.51 -0.57 0.00 0.00 -2.36 0.00 0.00 39.78 37.36 2kh2 n ASN 229 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2kh2 n LYS 230 N 0.32 0.00 0.00 -3.83 4.01 -1.26 -5.02 118.16 112.38 2kh2 n LYS 230 Ca 0.13 0.00 0.12 0.00 -0.51 0.00 0.00 58.31 58.06 2kh2 n LYS 230 Cb 0.69 0.00 0.19 0.00 -0.51 0.00 0.00 35.03 35.39 2kh2 n LYS 230 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2kh2 n LYS 231 N 0.00 1.57 -3.18 1.97 4.76 -1.26 -4.71 118.16 117.32 2kh2 n LYS 231 Ca 0.00 -1.20 -0.25 0.00 -2.87 0.00 0.00 58.31 53.99 2kh2 n LYS 231 Cb 0.00 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 31.70 2kh2 n LYS 231 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2kh2 s LEU 232 N -2.25 3.92 -1.19 -0.35 1.43 -1.26 -5.02 118.68 113.96 2kh2 s LEU 232 Ca 0.26 0.61 -0.15 0.00 -1.03 0.00 0.00 54.13 53.82 2kh2 s LEU 232 Cb 0.19 -3.49 0.15 0.00 0.03 0.00 0.00 46.19 43.08 2kh2 s LEU 232 CO 0.44 -0.36 1.44 0.28 0.23 0.00 0.00 176.35 178.37 2kh2 s THR 233 N -2.40 4.89 0.03 5.49 -1.32 -1.26 -4.86 115.64 116.20 2kh2 s THR 233 Ca 0.42 -2.43 -0.01 0.00 -1.21 0.00 0.00 61.69 58.47 2kh2 s THR 233 Cb -0.10 -4.93 -0.02 0.00 -1.51 0.00 0.00 72.50 65.94 2kh2 s THR 233 CO 0.38 -1.66 -0.01 -1.66 -2.21 0.00 0.00 174.62 169.46 2kh2 s TRP 234 N 2.02 0.33 -0.28 9.09 -2.14 -1.26 -4.77 118.94 121.93 2kh2 s TRP 234 Ca 0.43 -0.68 -0.08 0.00 2.66 0.00 0.00 56.10 58.43 2kh2 s TRP 234 Cb -0.02 -0.24 -0.01 0.00 -3.10 0.00 0.00 33.47 30.10 2kh2 s TRP 234 CO -0.00 -0.27 0.09 -0.06 -2.66 0.00 0.00 176.95 174.05 2kh2 s PHE 235 N -2.34 3.13 -0.12 1.66 0.08 -1.26 -4.10 117.98 115.04 2kh2 s PHE 235 Ca -0.08 -0.71 0.19 0.00 0.12 0.00 0.00 56.93 56.45 2kh2 s PHE 235 Cb -0.03 -2.27 -0.23 0.00 -0.57 0.00 0.00 43.02 39.92 2kh2 s PHE 235 CO -0.04 -0.48 0.49 -0.40 -0.10 0.00 0.00 175.22 174.69 2kh2 n ASP 236 N 4.91 0.32 -3.83 1.36 5.75 -0.49 -4.76 116.55 119.81 2kh2 n ASP 236 Ca -0.15 0.14 -0.13 0.00 -0.01 0.00 0.00 54.79 54.64 2kh2 n ASP 236 Cb 0.49 1.01 -0.14 0.00 -1.03 0.00 0.00 41.12 41.46 2kh2 n ASP 236 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2kh2 s TYR 237 N -3.00 -0.07 0.10 2.11 5.04 -1.25 -4.54 117.35 115.74 2kh2 s TYR 237 Ca -0.07 0.19 0.09 0.00 -2.44 0.00 0.00 57.07 54.85 2kh2 s TYR 237 Cb 0.10 -0.01 -0.04 0.00 0.35 0.00 0.00 41.96 42.36 2kh2 s TYR 237 CO 0.85 -0.05 -0.23 -1.58 -1.34 0.00 0.00 175.55 173.19 2kh2 s TRP 238 N 0.25 2.41 0.00 4.97 0.52 -1.26 -2.10 118.94 123.73 2kh2 s TRP 238 Ca -0.02 -0.34 0.00 0.00 0.02 0.00 0.00 56.10 55.77 2kh2 s TRP 238 Cb -0.03 -1.34 0.00 0.00 -1.15 0.00 0.00 33.47 30.96 2kh2 s TRP 238 CO -0.01 0.30 0.00 0.41 0.02 0.00 0.00 176.95 177.67 2kh2 n GLY 239 N 1.15 -0.15 0.09 0.98 0.00 0.05 -4.70 105.19 102.61 2kh2 n GLY 239 Ca -0.17 -1.41 -0.09 0.00 0.00 0.00 0.00 46.02 44.35 2kh2 n GLY 239 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kh2 n GLN 240 N 0.00 0.66 -0.00 1.61 7.27 -1.12 -4.64 117.38 121.16 2kh2 n GLN 240 Ca 0.00 0.11 0.00 0.00 0.07 0.00 0.00 57.00 57.18 2kh2 n GLN 240 Cb 0.00 -1.63 0.00 0.00 2.41 0.00 0.00 30.24 31.02 2kh2 n GLN 240 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2kh2 n GLY 241 N 1.65 1.59 3.48 1.69 0.00 -1.26 -4.55 105.19 107.79 2kh2 n GLY 241 Ca -0.25 -1.34 -0.36 0.00 0.00 0.00 0.00 46.02 44.06 2kh2 n GLY 241 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kh2 s THR 242 N -0.01 4.42 -0.15 2.61 2.01 0.16 -4.85 115.64 119.83 2kh2 s THR 242 Ca 0.00 -0.14 -0.29 0.00 0.31 0.00 0.00 61.69 61.57 2kh2 s THR 242 Cb 0.00 -3.06 -0.01 0.00 0.01 0.00 0.00 72.50 69.45 2kh2 s THR 242 CO 0.00 0.35 1.09 -0.22 -0.69 0.00 0.00 174.62 175.16 2kh2 s LEU 243 N 1.43 4.19 -0.13 4.42 2.96 -1.26 -0.48 118.68 129.80 2kh2 s LEU 243 Ca 0.05 1.56 0.01 0.00 -0.22 0.00 0.00 54.13 55.53 2kh2 s LEU 243 Cb -0.15 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.01 2kh2 s LEU 243 CO 0.04 -0.60 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.62 2kh2 s VAL 244 N 2.70 1.64 -0.14 1.68 1.01 -0.74 -2.36 120.40 124.19 2kh2 s VAL 244 Ca 0.49 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.79 2kh2 s VAL 244 Cb -0.19 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 34.70 2kh2 s VAL 244 CO 0.14 0.47 -0.20 0.42 0.00 0.00 0.00 175.10 175.93 2kh2 s THR 245 N 1.20 1.92 -0.44 3.92 -4.23 -0.31 -1.93 115.64 115.77 2kh2 s THR 245 Ca -0.01 -0.88 -0.11 0.00 -1.18 0.00 0.00 61.69 59.51 2kh2 s THR 245 Cb -0.14 -1.72 0.08 0.00 1.34 0.00 0.00 72.50 72.06 2kh2 s THR 245 CO -0.06 0.52 0.31 -0.69 -0.54 0.00 0.00 174.62 174.15 2kh2 s VAL 246 N 0.99 4.55 0.31 2.29 1.01 -1.26 -1.17 120.40 127.13 2kh2 s VAL 246 Ca -0.04 -1.30 -0.03 0.00 0.00 0.00 0.00 61.98 60.62 2kh2 s VAL 246 Cb -0.15 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.48 2kh2 s VAL 246 CO -0.05 -0.54 0.45 -1.20 0.00 0.00 0.00 175.10 173.77 2kh2 n SER 247 N 5.01 -1.27 -4.89 3.32 7.64 -0.11 -4.64 113.62 118.69 2kh2 n SER 247 Ca -0.11 -2.60 -0.33 0.00 1.01 0.00 0.00 58.87 56.84 2kh2 n SER 247 Cb 0.43 2.32 -0.05 0.00 -1.01 0.00 0.00 64.21 65.90 2kh2 n SER 247 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2kh2 s SER 248 N -2.86 6.52 0.00 6.43 0.15 -1.26 -3.20 113.70 119.49 2kh2 s SER 248 Ca 0.24 0.62 0.12 0.00 0.70 0.00 0.00 55.95 57.63 2kh2 s SER 248 Cb -0.01 -2.11 0.40 0.00 -1.71 0.00 0.00 66.02 62.59 2kh2 s SER 248 CO 0.17 0.13 1.31 1.41 1.20 0.00 0.00 173.24 177.46 2kh2 n HIS 249 N 0.53 0.39 -3.35 3.44 -0.00 -1.26 -4.85 115.22 110.12 2kh2 n HIS 249 Ca -0.06 -0.19 -0.38 0.00 -0.00 0.00 0.00 57.72 57.09 2kh2 n HIS 249 Cb 0.52 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.45 2kh2 n HIS 249 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kh2 s HIS 250 N -1.61 3.62 -0.21 4.41 3.76 -1.26 -5.05 115.29 118.95 2kh2 s HIS 250 Ca 0.24 0.99 -0.29 0.00 -0.15 0.00 0.00 55.06 55.86 2kh2 s HIS 250 Cb 0.13 -2.48 0.15 0.00 1.11 0.00 0.00 32.58 31.48 2kh2 s HIS 250 CO 0.17 0.37 1.11 -3.38 -0.85 0.00 0.00 174.74 172.16 2kh2 s HIS 251 N -0.12 -0.28 0.34 1.40 -0.00 -1.26 -5.17 115.29 110.19 2kh2 s HIS 251 Ca 0.26 0.52 -0.04 0.00 -0.00 0.00 0.00 55.06 55.80 2kh2 s HIS 251 Cb -0.16 0.45 -0.05 0.00 -0.00 0.00 0.00 32.58 32.82 2kh2 s HIS 251 CO 0.13 -0.24 0.60 -1.01 -0.00 0.00 0.00 174.74 174.22 2kh2 s HIS 252 N -0.87 3.49 0.11 0.38 3.76 -1.26 -5.01 115.29 115.89 2kh2 s HIS 252 Ca 0.02 0.63 -0.34 0.00 -0.15 0.00 0.00 55.06 55.22 2kh2 s HIS 252 Cb -0.01 -2.11 -0.13 0.00 1.11 0.00 0.00 32.58 31.44 2kh2 s HIS 252 CO -0.03 0.08 1.65 1.58 -0.85 0.00 0.00 174.74 177.17 2kh2 n HIS 253 N -1.35 2.31 1.65 1.40 -0.00 -1.26 -5.32 115.22 112.65 2kh2 n HIS 253 Ca -0.02 0.19 0.15 0.00 0.46 0.00 0.00 57.72 58.50 2kh2 n HIS 253 Cb 0.55 -2.58 0.65 0.00 -0.12 0.00 0.00 29.99 28.49 2kh2 n HIS 253 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38