#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kh2 h PRO 2 N 0.00 0.34 -4.29 0.00 0.11 -2.05 -3.36 132.00 122.75 2kh2 h PRO 2 Ca 0.00 -0.02 -0.70 0.00 0.11 0.00 0.00 66.00 65.39 2kh2 h PRO 2 Cb 0.00 -0.08 -0.34 0.00 0.11 0.00 0.00 31.00 30.69 2kh2 h PRO 2 CO 0.00 0.22 -0.50 0.54 -0.21 0.00 0.00 178.00 178.05 2kh2 s VAL 3 N -6.16 3.41 0.17 3.15 0.11 -1.26 -4.91 120.40 114.91 2kh2 s VAL 3 Ca -0.13 -2.24 -0.06 0.00 -2.93 0.00 0.00 61.98 56.62 2kh2 s VAL 3 Cb 0.11 -3.31 -0.06 0.00 -1.53 0.00 0.00 36.38 31.58 2kh2 s VAL 3 CO 0.71 -0.74 0.43 -0.13 -3.33 0.00 0.00 175.10 172.05 2kh2 s ARG 4 N 0.90 3.67 -0.03 1.54 0.52 -1.26 -4.94 118.95 119.35 2kh2 s ARG 4 Ca 0.10 0.01 -0.01 0.00 -0.52 0.00 0.00 55.73 55.32 2kh2 s ARG 4 Cb -0.22 -2.78 0.03 0.00 0.52 0.00 0.00 34.95 32.49 2kh2 s ARG 4 CO -0.04 0.42 0.05 -1.12 0.02 0.00 0.00 175.30 174.63 2kh2 s SER 5 N -2.45 0.02 -0.14 0.23 0.01 -1.26 -0.81 113.70 109.30 2kh2 s SER 5 Ca 0.43 0.09 -0.01 0.00 1.31 0.00 0.00 55.95 57.76 2kh2 s SER 5 Cb -0.12 0.00 -0.02 0.00 0.21 0.00 0.00 66.02 66.10 2kh2 s SER 5 CO 0.24 -0.11 -0.10 -0.76 0.41 0.00 0.00 173.24 172.92 2kh2 s LEU 6 N 0.85 2.89 -0.27 2.44 1.43 -0.41 -4.83 118.68 120.79 2kh2 s LEU 6 Ca -0.07 -0.27 -0.25 0.00 -1.03 0.00 0.00 54.13 52.52 2kh2 s LEU 6 Cb -0.10 -1.67 -0.00 0.00 0.03 0.00 0.00 46.19 44.45 2kh2 s LEU 6 CO -0.03 0.16 0.84 0.20 0.23 0.00 0.00 176.35 177.75 2kh2 s ASN 7 N 0.40 6.79 0.12 2.29 0.01 -1.26 0.23 114.94 123.52 2kh2 s ASN 7 Ca -0.08 0.92 -0.04 0.00 -0.71 0.00 0.00 52.86 52.95 2kh2 s ASN 7 Cb -0.15 -2.44 -0.03 0.00 0.41 0.00 0.00 41.25 39.04 2kh2 s ASN 7 CO 0.04 -0.58 0.13 0.00 -1.51 0.00 0.00 177.10 175.18 2kh2 s THR 9 N -3.98 2.52 0.05 0.00 -4.23 0.16 -0.06 115.64 110.10 2kh2 s THR 9 Ca 0.17 -1.63 0.09 0.00 -1.18 0.00 0.00 61.69 59.14 2kh2 s THR 9 Cb 0.06 -2.14 -0.03 0.00 1.34 0.00 0.00 72.50 71.74 2kh2 s THR 9 CO -0.02 0.10 -0.26 -0.76 -0.54 0.00 0.00 174.62 173.14 2kh2 s LEU 10 N -2.08 2.18 0.02 4.79 1.43 -1.26 -0.93 118.68 122.83 2kh2 s LEU 10 Ca 0.16 -0.59 0.04 0.00 -1.03 0.00 0.00 54.13 52.71 2kh2 s LEU 10 Cb -0.10 -1.29 -0.02 0.00 0.03 0.00 0.00 46.19 44.81 2kh2 s LEU 10 CO 0.08 0.26 -0.11 -0.13 0.23 0.00 0.00 176.35 176.68 2kh2 s ARG 11 N -1.25 0.77 0.96 1.70 0.52 -1.25 -3.99 118.95 116.41 2kh2 s ARG 11 Ca 0.12 -0.60 -0.15 0.00 -0.52 0.00 0.00 55.73 54.58 2kh2 s ARG 11 Cb -0.10 -0.73 0.21 0.00 0.52 0.00 0.00 34.95 34.85 2kh2 s ARG 11 CO 0.02 0.18 1.31 0.16 0.02 0.00 0.00 175.30 176.99 2kh2 s ASP 12 N -0.90 3.05 0.12 0.23 -4.77 -0.83 -0.43 116.67 113.15 2kh2 s ASP 12 Ca 0.00 0.13 0.13 0.00 -3.30 0.00 0.00 52.55 49.51 2kh2 s ASP 12 Cb -0.07 -0.14 0.61 0.00 -1.09 0.00 0.00 42.92 42.23 2kh2 s ASP 12 CO 0.01 -2.76 1.40 -1.20 0.70 0.00 0.00 175.17 173.32 2kh2 n SER 13 N -3.73 0.25 -1.05 2.11 7.64 -1.25 -1.16 113.62 116.42 2kh2 n SER 13 Ca 0.16 0.59 0.12 0.00 1.01 0.00 0.00 58.87 60.75 2kh2 n SER 13 Cb 0.59 -0.63 0.15 0.00 -1.01 0.00 0.00 64.21 63.31 2kh2 n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kh2 n GLN 14 N -1.80 2.40 -1.56 1.43 6.02 -1.26 -4.94 117.38 117.67 2kh2 n GLN 14 Ca 0.01 -2.09 -0.06 0.00 -0.01 0.00 0.00 57.00 54.85 2kh2 n GLN 14 Cb 0.10 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 29.86 2kh2 n GLN 14 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2kh2 n GLN 15 N 1.42 -0.43 -3.05 -1.09 1.13 -0.31 -4.98 117.38 110.07 2kh2 n GLN 15 Ca 0.16 0.53 -0.33 0.00 -1.94 0.00 0.00 57.00 55.43 2kh2 n GLN 15 Cb 0.60 -4.31 -0.06 0.00 0.11 0.00 0.00 30.24 26.58 2kh2 n GLN 15 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2kh2 s LYS 16 N -3.24 4.08 0.23 -1.09 1.02 -1.26 -4.28 119.74 115.21 2kh2 s LYS 16 Ca 0.00 0.80 0.08 0.00 0.02 0.00 0.00 55.97 56.88 2kh2 s LYS 16 Cb 0.00 -2.39 -0.04 0.00 -0.52 0.00 0.00 37.83 34.88 2kh2 s LYS 16 CO 0.00 0.12 0.03 -1.12 -0.92 0.00 0.00 175.35 173.46 2kh2 s SER 17 N -2.21 4.80 -0.19 2.83 0.01 0.11 -1.96 113.70 117.10 2kh2 s SER 17 Ca 0.56 -0.49 -0.15 0.00 1.31 0.00 0.00 55.95 57.18 2kh2 s SER 17 Cb -0.10 -1.01 -0.04 0.00 0.21 0.00 0.00 66.02 65.08 2kh2 s SER 17 CO 0.17 0.03 0.36 -0.76 0.41 0.00 0.00 173.24 173.44 2kh2 s LEU 18 N -3.45 4.18 0.17 2.44 1.43 -1.26 -1.08 118.68 121.12 2kh2 s LEU 18 Ca 0.30 0.51 0.08 0.00 -1.03 0.00 0.00 54.13 53.99 2kh2 s LEU 18 Cb -0.08 -2.47 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 2kh2 s LEU 18 CO 0.20 -0.02 -0.17 0.68 0.23 0.00 0.00 176.35 177.28 2kh2 s VAL 19 N 1.03 1.75 -0.53 -1.59 -7.23 0.37 -1.27 120.40 112.93 2kh2 s VAL 19 Ca 0.18 -1.95 -0.28 0.00 -1.81 0.00 0.00 61.98 58.12 2kh2 s VAL 19 Cb -0.14 -1.85 0.02 0.00 0.56 0.00 0.00 36.38 34.97 2kh2 s VAL 19 CO 0.07 -0.38 1.32 -0.04 -0.31 0.00 0.00 175.10 175.75 2kh2 s MET 20 N -2.95 3.46 0.00 4.82 -1.94 -1.26 -0.82 119.30 120.61 2kh2 s MET 20 Ca 0.16 0.50 0.00 0.00 -1.71 0.00 0.00 55.69 54.64 2kh2 s MET 20 Cb -0.05 -4.05 0.00 0.00 2.01 0.00 0.00 34.83 32.75 2kh2 s MET 20 CO 0.06 -1.73 0.15 0.45 -0.01 0.00 0.00 175.02 173.94 2kh2 n SER 21 N 8.91 0.00 -1.98 3.03 2.88 -0.36 -4.92 113.62 121.18 2kh2 n SER 21 Ca 0.12 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 2kh2 n SER 21 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 2kh2 n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kh2 n GLY 22 N 1.38 2.28 0.24 0.46 0.00 -1.17 -4.95 105.19 103.43 2kh2 n GLY 22 Ca 0.00 -2.14 0.09 0.00 0.00 0.00 0.00 46.02 43.97 2kh2 n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kh2 h PRO 23 N 0.00 0.00 -0.39 1.61 0.13 -2.03 -3.14 132.00 128.18 2kh2 h PRO 23 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.84 2kh2 h PRO 23 Cb 0.00 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 30.78 2kh2 h PRO 23 CO 0.00 0.19 -0.93 0.66 -0.23 0.00 0.00 178.00 177.69 2kh2 n TYR 24 N -3.88 1.30 -3.83 1.56 4.01 -1.26 -4.99 117.16 110.07 2kh2 n TYR 24 Ca -0.02 -1.78 -0.12 0.00 -0.16 0.00 0.00 57.90 55.82 2kh2 n TYR 24 Cb 0.28 -0.25 -0.10 0.00 -0.31 0.00 0.00 39.34 38.96 2kh2 n TYR 24 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2kh2 s GLU 25 N -2.98 0.53 0.03 -0.72 2.12 -1.19 -3.91 118.70 112.58 2kh2 s GLU 25 Ca 0.37 -0.29 0.06 0.00 0.36 0.00 0.00 54.97 55.47 2kh2 s GLU 25 Cb 0.37 0.23 -0.02 0.00 0.26 0.00 0.00 34.13 34.96 2kh2 s GLU 25 CO -0.04 -0.13 -0.18 -0.51 -0.54 0.00 0.00 175.26 173.85 2kh2 s LEU 26 N -1.27 2.14 0.12 2.70 1.43 -1.26 -1.23 118.68 121.31 2kh2 s LEU 26 Ca -0.13 -0.46 0.06 0.00 -1.03 0.00 0.00 54.13 52.56 2kh2 s LEU 26 Cb -0.06 -0.87 -0.04 0.00 0.03 0.00 0.00 46.19 45.25 2kh2 s LEU 26 CO 0.02 0.14 -0.15 -0.54 0.23 0.00 0.00 176.35 176.05 2kh2 s LYS 27 N -1.02 1.03 -0.17 1.70 1.02 -0.00 -1.03 119.74 121.28 2kh2 s LYS 27 Ca 0.06 -1.21 -0.02 0.00 0.02 0.00 0.00 55.97 54.82 2kh2 s LYS 27 Cb -0.08 -0.97 -0.01 0.00 -0.52 0.00 0.00 37.83 36.25 2kh2 s LYS 27 CO 0.01 0.19 -0.10 0.00 -0.92 0.00 0.00 175.35 174.54 2kh2 s ALA 28 N -1.95 2.69 0.00 5.17 0.00 0.89 -0.48 121.76 128.09 2kh2 s ALA 28 Ca 0.08 -1.00 -0.21 0.00 0.00 0.00 0.00 51.96 50.83 2kh2 s ALA 28 Cb -0.06 -1.40 0.04 0.00 0.00 0.00 0.00 23.12 21.70 2kh2 s ALA 28 CO 0.03 -0.03 0.47 -0.48 0.00 0.00 0.00 175.76 175.75 2kh2 s LEU 29 N 0.80 0.19 0.08 0.00 0.05 -0.25 -2.54 118.68 117.01 2kh2 s LEU 29 Ca -0.04 0.24 -0.32 0.00 0.05 0.00 0.00 54.13 54.06 2kh2 s LEU 29 Cb -0.15 1.87 -0.11 0.00 -2.05 0.00 0.00 46.19 45.75 2kh2 s LEU 29 CO 0.01 -0.60 1.84 1.41 -0.55 0.00 0.00 176.35 178.46 2kh2 n HIS 30 N 0.82 2.52 -3.90 3.48 8.25 -1.26 0.08 115.22 125.21 2kh2 n HIS 30 Ca -0.20 -0.11 -0.26 0.00 -0.26 0.00 0.00 57.72 56.90 2kh2 n HIS 30 Cb 0.58 -2.71 -0.17 0.00 1.12 0.00 0.00 29.99 28.81 2kh2 n HIS 30 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2kh2 s LEU 31 N 2.99 1.05 -0.26 2.41 2.96 -1.26 -4.85 118.68 121.72 2kh2 s LEU 31 Ca 0.84 -0.24 -0.11 0.00 -0.22 0.00 0.00 54.13 54.40 2kh2 s LEU 31 Cb -0.53 -0.73 0.10 0.00 0.50 0.00 0.00 46.19 45.53 2kh2 s LEU 31 CO 0.40 -0.13 0.59 -1.58 -1.32 0.00 0.00 176.35 174.32 2kh2 s GLN 32 N 1.72 0.55 0.00 1.98 0.74 -1.26 -4.82 119.66 118.56 2kh2 s GLN 32 Ca 0.04 1.24 0.00 0.00 0.05 0.00 0.00 55.36 56.69 2kh2 s GLN 32 Cb -0.13 0.47 0.00 0.00 1.10 0.00 0.00 33.01 34.46 2kh2 s GLN 32 CO -0.07 -0.19 0.00 0.41 -0.55 0.00 0.00 175.29 174.89 2kh2 n GLY 33 N 4.99 0.21 0.00 2.59 0.00 -1.26 -4.50 105.19 107.23 2kh2 n GLY 33 Ca -0.15 -1.95 0.10 0.00 0.00 0.00 0.00 46.02 44.02 2kh2 n GLY 33 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kh2 n GLN 34 N 0.00 0.64 0.01 1.61 -0.06 -1.26 -1.52 117.38 116.80 2kh2 n GLN 34 Ca 0.00 0.00 0.11 0.00 -2.00 0.00 0.00 57.00 55.11 2kh2 n GLN 34 Cb 0.00 -1.48 -0.04 0.00 -4.06 0.00 0.00 30.24 24.66 2kh2 n GLN 34 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2kh2 n ASP 35 N -0.98 0.62 0.25 1.69 9.92 -1.26 -4.30 116.55 122.50 2kh2 n ASP 35 Ca 0.15 -0.41 0.08 0.00 -0.53 0.00 0.00 54.79 54.07 2kh2 n ASP 35 Cb 0.07 1.04 0.62 0.00 -0.64 0.00 0.00 41.12 42.20 2kh2 n ASP 35 CO 0.00 0.00 0.00 -0.03 0.13 0.00 0.00 177.20 177.30 2kh2 h MET 36 N 0.00 0.00 0.00 -1.24 4.05 -1.55 -2.19 114.93 114.00 2kh2 h MET 36 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2kh2 h MET 36 Cb 0.70 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.50 2kh2 h MET 36 CO 0.00 0.05 0.00 0.39 0.23 0.00 0.00 176.91 177.58 2kh2 n GLU 37 N -4.43 0.02 -0.02 0.39 -0.58 -1.26 -1.32 120.64 113.45 2kh2 n GLU 37 Ca -0.03 0.36 0.13 0.00 -0.42 0.00 0.00 57.16 57.20 2kh2 n GLU 37 Cb 0.13 -1.50 0.57 0.00 -0.57 0.00 0.00 31.44 30.07 2kh2 n GLU 37 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2kh2 n GLN 38 N -1.43 1.50 -2.29 3.49 6.02 -0.82 -4.90 117.38 118.94 2kh2 n GLN 38 Ca 0.02 -0.74 -0.37 0.00 -0.01 0.00 0.00 57.00 55.90 2kh2 n GLN 38 Cb 0.05 -1.45 -0.01 0.00 1.02 0.00 0.00 30.24 29.85 2kh2 n GLN 38 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2kh2 s GLN 39 N -1.95 3.79 -0.08 -1.09 -2.07 -0.43 -4.62 119.66 113.22 2kh2 s GLN 39 Ca 0.38 1.73 -0.19 0.00 -1.82 0.00 0.00 55.36 55.46 2kh2 s GLN 39 Cb 0.20 -2.41 -0.04 0.00 -1.09 0.00 0.00 33.01 29.66 2kh2 s GLN 39 CO 0.31 -0.51 0.54 0.08 -1.32 0.00 0.00 175.29 174.39 2kh2 s VAL 40 N -1.57 5.09 -0.20 3.63 1.01 -0.40 -5.01 120.40 122.95 2kh2 s VAL 40 Ca 0.63 1.10 -0.11 0.00 0.00 0.00 0.00 61.98 63.60 2kh2 s VAL 40 Cb -0.28 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 2kh2 s VAL 40 CO 0.33 0.35 0.19 -0.69 0.00 0.00 0.00 175.10 175.28 2kh2 s VAL 41 N 0.36 5.37 -0.16 2.92 1.01 -1.26 -4.67 120.40 123.96 2kh2 s VAL 41 Ca 0.29 0.30 -0.07 0.00 0.00 0.00 0.00 61.98 62.50 2kh2 s VAL 41 Cb -0.16 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2kh2 s VAL 41 CO 0.13 0.40 0.08 -0.36 0.00 0.00 0.00 175.10 175.35 2kh2 s PHE 42 N 0.56 3.33 -0.32 5.22 0.08 0.92 -1.33 117.98 126.44 2kh2 s PHE 42 Ca 0.10 0.21 -0.25 0.00 0.12 0.00 0.00 56.93 57.12 2kh2 s PHE 42 Cb -0.12 -2.03 0.01 0.00 -0.57 0.00 0.00 43.02 40.31 2kh2 s PHE 42 CO 0.01 0.33 0.86 -1.12 -0.10 0.00 0.00 175.22 175.19 2kh2 s SER 43 N -0.06 6.70 -0.75 1.36 0.01 0.12 -1.08 113.70 120.00 2kh2 s SER 43 Ca 0.07 0.69 -0.19 0.00 1.31 0.00 0.00 55.95 57.83 2kh2 s SER 43 Cb -0.12 -2.44 0.12 0.00 0.21 0.00 0.00 66.02 63.79 2kh2 s SER 43 CO 0.01 -0.70 0.93 -0.32 0.41 0.00 0.00 173.24 173.56 2kh2 s MET 44 N 3.16 3.32 0.06 12.44 1.75 0.14 -2.49 119.30 137.67 2kh2 s MET 44 Ca 0.35 -1.47 -0.26 0.00 -1.25 0.00 0.00 55.69 53.06 2kh2 s MET 44 Cb -0.13 -4.51 -0.06 0.00 2.84 0.00 0.00 34.83 32.97 2kh2 s MET 44 CO 0.14 -1.67 0.80 -1.12 -0.65 0.00 0.00 175.02 172.52 2kh2 s SER 45 N 3.50 7.27 -0.47 1.11 0.01 -0.86 -1.29 113.70 122.97 2kh2 s SER 45 Ca 0.22 1.52 -0.26 0.00 1.31 0.00 0.00 55.95 58.74 2kh2 s SER 45 Cb -0.14 -2.49 0.03 0.00 0.21 0.00 0.00 66.02 63.63 2kh2 s SER 45 CO -0.00 0.00 0.98 -0.36 0.41 0.00 0.00 173.24 174.27 2kh2 s PHE 46 N -0.06 2.89 0.36 2.43 0.40 0.01 -0.82 117.98 123.19 2kh2 s PHE 46 Ca 0.40 0.46 0.08 0.00 -0.60 0.00 0.00 56.93 57.27 2kh2 s PHE 46 Cb -0.21 -4.10 -0.05 0.00 0.51 0.00 0.00 43.02 39.17 2kh2 s PHE 46 CO 0.24 -1.15 0.11 0.14 0.70 0.00 0.00 175.22 175.26 2kh2 s VAL 47 N 3.95 2.64 -0.04 -0.44 -7.23 -1.19 -4.58 120.40 113.51 2kh2 s VAL 47 Ca 0.40 -1.79 -0.03 0.00 -1.81 0.00 0.00 61.98 58.75 2kh2 s VAL 47 Cb -0.09 -2.92 -0.04 0.00 0.56 0.00 0.00 36.38 33.89 2kh2 s VAL 47 CO 0.28 -0.13 0.12 -1.10 -0.31 0.00 0.00 175.10 173.96 2kh2 s GLN 48 N -3.82 3.26 0.00 4.82 1.11 -1.21 -4.66 119.66 119.16 2kh2 s GLN 48 Ca 0.38 -0.35 0.00 0.00 0.01 0.00 0.00 55.36 55.40 2kh2 s GLN 48 Cb 0.01 -3.00 0.00 0.00 -1.01 0.00 0.00 33.01 29.01 2kh2 s GLN 48 CO 0.21 0.69 0.00 0.41 0.01 0.00 0.00 175.29 176.61 2kh2 n GLY 49 N 1.35 -0.84 3.47 3.09 0.00 -1.26 -4.87 105.19 106.14 2kh2 n GLY 49 Ca -0.14 0.45 -0.44 0.00 0.00 0.00 0.00 46.02 45.90 2kh2 n GLY 49 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kh2 n GLU 50 N 0.00 3.31 -2.99 1.61 4.71 -1.26 -4.98 120.64 121.05 2kh2 n GLU 50 Ca 0.00 -3.64 -0.40 0.00 -0.01 0.00 0.00 57.16 53.11 2kh2 n GLU 50 Cb 0.00 -3.19 -0.04 0.00 -1.01 0.00 0.00 31.44 27.20 2kh2 n GLU 50 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 2kh2 s GLU 51 N 2.41 4.46 0.28 3.49 2.12 -1.26 -3.77 118.70 126.43 2kh2 s GLU 51 Ca 0.46 0.98 -0.06 0.00 0.36 0.00 0.00 54.97 56.72 2kh2 s GLU 51 Cb 0.00 -3.44 0.02 0.00 0.26 0.00 0.00 34.13 30.97 2kh2 s GLU 51 CO 0.03 0.07 0.47 0.43 -0.54 0.00 0.00 175.26 175.71 2kh2 n SER 52 N 3.70 -1.33 -0.01 -1.70 7.64 -0.77 -5.01 113.62 116.14 2kh2 n SER 52 Ca -0.00 -2.31 -0.08 0.00 1.01 0.00 0.00 58.87 57.49 2kh2 n SER 52 Cb 0.51 2.33 -0.13 0.00 -1.01 0.00 0.00 64.21 65.90 2kh2 n SER 52 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 2kh2 h ASN 53 N 1.47 0.00 0.02 6.43 -0.00 -2.00 -3.40 115.58 118.10 2kh2 h ASN 53 Ca -0.22 0.00 -0.39 0.00 -0.00 0.00 0.00 56.30 55.68 2kh2 h ASN 53 Cb 0.90 0.00 -0.06 0.00 -0.00 0.00 0.00 38.32 39.16 2kh2 h ASN 53 CO 0.29 0.99 -2.40 -0.90 -0.00 0.00 0.00 177.43 175.41 2kh2 n ASP 54 N -3.09 1.99 -4.52 1.15 5.75 -1.26 -4.87 116.55 111.71 2kh2 n ASP 54 Ca -0.14 -0.01 -0.41 0.00 -0.01 0.00 0.00 54.79 54.22 2kh2 n ASP 54 Cb 1.03 -0.54 -0.10 0.00 -1.03 0.00 0.00 41.12 40.47 2kh2 n ASP 54 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2kh2 s LYS 55 N -2.52 3.41 -0.23 0.11 1.02 -1.26 -2.09 119.74 118.18 2kh2 s LYS 55 Ca -0.34 -0.70 -0.08 0.00 0.02 0.00 0.00 55.97 54.87 2kh2 s LYS 55 Cb 0.09 -3.84 -0.04 0.00 -0.52 0.00 0.00 37.83 33.53 2kh2 s LYS 55 CO 0.61 -0.50 0.09 0.42 -0.92 0.00 0.00 175.35 175.05 2kh2 s ILE 56 N 1.73 4.70 -0.47 2.17 -1.09 0.48 -1.84 121.20 126.88 2kh2 s ILE 56 Ca 0.06 -0.05 -0.29 0.00 -2.23 0.00 0.00 60.65 58.15 2kh2 s ILE 56 Cb -0.18 -3.18 0.03 0.00 -1.58 0.00 0.00 42.46 37.55 2kh2 s ILE 56 CO 0.10 0.36 1.13 -2.16 -1.23 0.00 0.00 174.94 173.14 2kh2 s PRO 57 N 1.21 3.72 0.16 2.79 0.04 -1.25 0.41 135.00 142.09 2kh2 s PRO 57 Ca 0.05 0.55 -0.01 0.00 0.04 0.00 0.00 61.00 61.64 2kh2 s PRO 57 Cb -0.14 -3.91 -0.04 0.00 0.04 0.00 0.00 34.50 30.45 2kh2 s PRO 57 CO 0.04 -1.36 0.09 0.14 0.04 0.00 0.00 177.00 175.95 2kh2 s VAL 58 N 4.40 0.06 0.23 -0.36 -7.23 -0.20 -3.14 120.40 114.16 2kh2 s VAL 58 Ca 0.47 -1.94 0.10 0.00 -1.81 0.00 0.00 61.98 58.80 2kh2 s VAL 58 Cb -0.07 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.59 2kh2 s VAL 58 CO 0.31 -0.27 -0.06 0.00 -0.31 0.00 0.00 175.10 174.77 2kh2 s ALA 59 N -4.09 3.02 -0.13 1.32 0.00 -0.01 -0.76 121.76 121.11 2kh2 s ALA 59 Ca 0.30 -1.61 -0.01 0.00 0.00 0.00 0.00 51.96 50.64 2kh2 s ALA 59 Cb 0.07 -0.69 0.04 0.00 0.00 0.00 0.00 23.12 22.54 2kh2 s ALA 59 CO 0.06 0.35 -0.01 -0.51 0.00 0.00 0.00 175.76 175.64 2kh2 s LEU 60 N -3.32 1.08 0.20 0.00 1.43 -1.26 -2.03 118.68 114.78 2kh2 s LEU 60 Ca 0.29 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.95 2kh2 s LEU 60 Cb -0.07 -0.66 -0.05 0.00 0.03 0.00 0.00 46.19 45.44 2kh2 s LEU 60 CO 0.17 -0.21 0.03 -0.83 0.23 0.00 0.00 176.35 175.74 2kh2 s GLY 61 N 1.82 1.38 0.30 -3.19 0.00 -1.04 -1.17 107.32 105.42 2kh2 s GLY 61 Ca 0.02 -1.68 -0.29 0.00 0.00 0.00 0.00 44.72 42.78 2kh2 s GLY 61 CO -0.07 -1.55 1.13 1.08 0.00 0.00 0.00 173.10 173.68 2kh2 s LEU 62 N -3.22 4.50 0.11 0.66 1.02 0.11 0.13 118.68 122.00 2kh2 s LEU 62 Ca 0.28 2.32 -0.33 0.00 0.02 0.00 0.00 54.13 56.42 2kh2 s LEU 62 Cb 0.06 -3.68 -0.12 0.00 0.02 0.00 0.00 46.19 42.48 2kh2 s LEU 62 CO 0.07 -0.23 1.73 1.17 0.02 0.00 0.00 176.35 179.11 2kh2 n LYS 63 N 1.02 2.42 -2.63 1.70 4.81 -0.44 -2.20 118.16 122.84 2kh2 n LYS 63 Ca -0.00 0.88 -0.14 0.00 -0.87 0.00 0.00 58.31 58.18 2kh2 n LYS 63 Cb 0.45 -2.71 -0.00 0.00 0.02 0.00 0.00 35.03 32.78 2kh2 n LYS 63 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2kh2 n GLU 64 N 4.75 -2.56 -4.15 1.64 0.28 -1.26 -4.94 120.64 114.40 2kh2 n GLU 64 Ca 0.18 0.53 -0.10 0.00 -0.16 0.00 0.00 57.16 57.62 2kh2 n GLU 64 Cb 0.32 -5.15 -0.10 0.00 1.43 0.00 0.00 31.44 27.94 2kh2 n GLU 64 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2kh2 s LYS 65 N -5.22 0.82 -0.16 3.44 1.02 -0.94 -5.04 119.74 113.66 2kh2 s LYS 65 Ca 0.08 -1.34 0.10 0.00 0.02 0.00 0.00 55.97 54.83 2kh2 s LYS 65 Cb -0.04 -0.04 0.57 0.00 -0.52 0.00 0.00 37.83 37.80 2kh2 s LYS 65 CO 0.10 -0.09 1.37 0.27 -0.92 0.00 0.00 175.35 176.08 2kh2 n ASN 66 N -0.03 4.25 -4.60 2.83 6.94 -1.26 -4.48 115.26 118.90 2kh2 n ASN 66 Ca -0.11 -2.62 -0.40 0.00 -0.02 0.00 0.00 54.58 51.43 2kh2 n ASN 66 Cb 0.62 -0.62 -0.08 0.00 -2.36 0.00 0.00 39.78 37.33 2kh2 n ASN 66 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2kh2 s LEU 67 N -1.89 4.09 0.06 -4.53 1.43 -1.26 -1.93 118.68 114.66 2kh2 s LEU 67 Ca 0.38 0.34 0.08 0.00 -1.03 0.00 0.00 54.13 53.90 2kh2 s LEU 67 Cb 0.29 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 2kh2 s LEU 67 CO 0.12 -0.27 -0.23 -0.31 0.23 0.00 0.00 176.35 175.89 2kh2 s TYR 68 N 2.22 1.98 -0.06 0.29 1.51 -0.51 0.08 117.35 122.86 2kh2 s TYR 68 Ca 0.18 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.55 2kh2 s TYR 68 Cb -0.16 -1.16 -0.04 0.00 -0.11 0.00 0.00 41.96 40.49 2kh2 s TYR 68 CO 0.10 0.14 1.39 -0.51 -1.11 0.00 0.00 175.55 175.56 2kh2 s LEU 69 N -1.39 4.27 -0.02 -1.29 1.43 -0.32 -0.64 118.68 120.73 2kh2 s LEU 69 Ca 0.09 1.98 0.06 0.00 -1.03 0.00 0.00 54.13 55.24 2kh2 s LEU 69 Cb -0.09 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.56 2kh2 s LEU 69 CO 0.03 -0.76 -0.20 -0.55 0.23 0.00 0.00 176.35 175.09 2kh2 s SER 70 N 2.16 2.40 -0.21 2.29 0.15 0.81 -4.57 113.70 116.74 2kh2 s SER 70 Ca 0.62 -0.37 -0.02 0.00 0.70 0.00 0.00 55.95 56.88 2kh2 s SER 70 Cb -0.28 -0.27 0.00 0.00 -1.71 0.00 0.00 66.02 63.76 2kh2 s SER 70 CO 0.23 0.25 -0.10 0.00 1.20 0.00 0.00 173.24 174.83 2kh2 s VAL 72 N 1.40 0.02 -0.30 0.00 -7.23 -0.76 -4.71 120.40 108.81 2kh2 s VAL 72 Ca 0.05 -1.94 -0.20 0.00 -1.81 0.00 0.00 61.98 58.08 2kh2 s VAL 72 Cb -0.14 -2.39 -0.01 0.00 0.56 0.00 0.00 36.38 34.40 2kh2 s VAL 72 CO -0.06 -0.09 0.62 -0.76 -0.31 0.00 0.00 175.10 174.50 2kh2 s LEU 73 N -3.13 4.14 -0.19 1.32 1.43 -1.26 0.30 118.68 121.29 2kh2 s LEU 73 Ca 0.35 0.44 0.01 0.00 -1.03 0.00 0.00 54.13 53.90 2kh2 s LEU 73 Cb 0.07 -2.81 0.04 0.00 0.03 0.00 0.00 46.19 43.52 2kh2 s LEU 73 CO 0.10 -0.46 -0.09 -0.54 0.23 0.00 0.00 176.35 175.58 2kh2 s LYS 74 N 2.59 1.88 -1.12 1.70 1.02 0.70 -4.77 119.74 121.74 2kh2 s LYS 74 Ca 0.25 -0.76 -0.02 0.00 0.02 0.00 0.00 55.97 55.46 2kh2 s LYS 74 Cb -0.15 -2.32 -0.02 0.00 -0.52 0.00 0.00 37.83 34.82 2kh2 s LYS 74 CO 0.11 -0.43 0.95 -3.47 -0.92 0.00 0.00 175.35 171.59 2kh2 n ASP 75 N 4.73 -3.60 -0.82 2.83 4.64 -1.26 -2.40 116.55 120.67 2kh2 n ASP 75 Ca -0.14 -0.63 -0.11 0.00 -1.38 0.00 0.00 54.79 52.53 2kh2 n ASP 75 Cb 0.47 -5.04 -0.05 0.00 -1.04 0.00 0.00 41.12 35.46 2kh2 n ASP 75 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 2kh2 n ASP 76 N -3.11 -5.46 -3.77 1.67 9.92 -1.26 -4.96 116.55 109.58 2kh2 n ASP 76 Ca -0.21 0.27 -0.14 0.00 -0.53 0.00 0.00 54.79 54.18 2kh2 n ASP 76 Cb 0.65 -3.91 -0.15 0.00 -0.64 0.00 0.00 41.12 37.07 2kh2 n ASP 76 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2kh2 s LYS 77 N -2.83 0.03 0.04 -1.24 2.47 -1.01 -5.12 119.74 112.08 2kh2 s LYS 77 Ca 0.00 0.26 -0.30 0.00 -1.56 0.00 0.00 55.97 54.37 2kh2 s LYS 77 Cb 0.00 -0.20 -0.08 0.00 -1.46 0.00 0.00 37.83 36.09 2kh2 s LYS 77 CO 0.00 -0.16 1.76 -2.14 0.16 0.00 0.00 175.35 174.98 2kh2 s PRO 78 N 1.04 4.17 0.09 4.03 0.02 -1.26 -0.21 135.00 142.87 2kh2 s PRO 78 Ca -0.08 2.41 0.07 0.00 0.02 0.00 0.00 61.00 63.42 2kh2 s PRO 78 Cb -0.11 -3.85 -0.03 0.00 0.02 0.00 0.00 34.50 30.53 2kh2 s PRO 78 CO -0.04 -0.84 -0.19 0.99 -0.33 0.00 0.00 177.00 176.59 2kh2 s THR 79 N 3.49 1.54 0.06 0.99 2.01 0.15 -4.66 115.64 119.21 2kh2 s THR 79 Ca 0.79 -1.45 -0.12 0.00 0.31 0.00 0.00 61.69 61.21 2kh2 s THR 79 Cb -0.40 -1.41 -0.06 0.00 0.01 0.00 0.00 72.50 70.64 2kh2 s THR 79 CO 0.35 -0.09 0.42 -0.22 -0.69 0.00 0.00 174.62 174.39 2kh2 s LEU 80 N -1.81 4.40 0.37 4.42 2.96 -1.26 -1.83 118.68 125.93 2kh2 s LEU 80 Ca 0.04 0.89 -0.12 0.00 -0.22 0.00 0.00 54.13 54.72 2kh2 s LEU 80 Cb -0.10 -2.86 0.04 0.00 0.50 0.00 0.00 46.19 43.77 2kh2 s LEU 80 CO 0.04 0.22 0.71 0.00 -1.32 0.00 0.00 176.35 176.00 2kh2 s GLN 81 N -1.59 2.14 -0.12 1.98 -2.07 0.21 -4.90 119.66 115.31 2kh2 s GLN 81 Ca 0.30 -1.51 -0.00 0.00 -1.82 0.00 0.00 55.36 52.33 2kh2 s GLN 81 Cb -0.15 0.58 -0.02 0.00 -1.09 0.00 0.00 33.01 32.33 2kh2 s GLN 81 CO 0.16 -0.98 -0.11 -0.51 -1.32 0.00 0.00 175.29 172.54 2kh2 s LEU 82 N -3.11 2.88 -0.07 2.60 2.01 -1.25 -0.13 118.68 121.60 2kh2 s LEU 82 Ca 0.19 -0.24 0.04 0.00 0.01 0.00 0.00 54.13 54.13 2kh2 s LEU 82 Cb -0.04 -1.65 -0.01 0.00 0.01 0.00 0.00 46.19 44.50 2kh2 s LEU 82 CO 0.14 0.20 -0.20 -1.61 1.01 0.00 0.00 176.35 175.89 2kh2 s GLU 83 N 0.13 2.76 -1.02 1.70 2.02 0.19 -4.90 118.70 119.58 2kh2 s GLU 83 Ca -0.05 -0.80 -0.17 0.00 0.02 0.00 0.00 54.97 53.97 2kh2 s GLU 83 Cb -0.15 -2.33 0.15 0.00 0.10 0.00 0.00 34.13 31.91 2kh2 s GLU 83 CO 0.04 0.39 1.21 -1.12 0.02 0.00 0.00 175.26 175.80 2kh2 s SER 84 N -0.15 6.80 0.71 -0.19 0.01 -1.26 -1.42 113.70 118.19 2kh2 s SER 84 Ca -0.03 -2.43 -0.11 0.00 1.31 0.00 0.00 55.95 54.69 2kh2 s SER 84 Cb -0.14 -2.39 0.01 0.00 0.21 0.00 0.00 66.02 63.72 2kh2 s SER 84 CO 0.04 -0.92 1.08 0.68 0.41 0.00 0.00 173.24 174.53 2kh2 s VAL 85 N 2.11 3.73 -0.22 3.43 -7.23 -0.81 -4.95 120.40 116.45 2kh2 s VAL 85 Ca 0.35 0.56 -0.28 0.00 -1.81 0.00 0.00 61.98 60.80 2kh2 s VAL 85 Cb -0.04 -3.46 -0.05 0.00 0.56 0.00 0.00 36.38 33.39 2kh2 s VAL 85 CO -0.06 -0.73 2.10 -0.62 -0.31 0.00 0.00 175.10 175.48 2kh2 s ASP 86 N -4.14 5.64 0.56 4.85 3.68 -1.26 -4.86 116.67 121.14 2kh2 s ASP 86 Ca 0.58 1.83 0.25 0.00 2.13 0.00 0.00 52.55 57.35 2kh2 s ASP 86 Cb -0.12 -2.52 1.62 0.00 -1.45 0.00 0.00 42.92 40.45 2kh2 s ASP 86 CO 0.53 -1.83 2.20 1.55 0.13 0.00 0.00 175.17 177.76 2kh2 h PRO 87 N 14.20 0.00 0.00 4.34 0.13 -1.92 -0.63 132.00 148.12 2kh2 h PRO 87 Ca -0.40 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.67 2kh2 h PRO 87 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2kh2 h PRO 87 CO 0.97 0.02 -0.52 1.57 -0.23 0.00 0.00 178.00 179.81 2kh2 h LYS 88 N 0.00 0.00 -0.29 0.86 2.10 -2.00 -3.29 116.57 113.95 2kh2 h LYS 88 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2kh2 h LYS 88 Cb 0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 2kh2 h LYS 88 CO 0.00 0.20 0.00 0.09 -2.00 0.00 0.00 179.45 177.74 2kh2 n ASN 89 N -3.04 2.82 -4.06 7.07 3.02 -0.68 -4.96 115.26 115.43 2kh2 n ASN 89 Ca 0.01 -1.85 -0.15 0.00 -0.03 0.00 0.00 54.58 52.55 2kh2 n ASN 89 Cb 0.64 -0.19 -0.13 0.00 -0.61 0.00 0.00 39.78 39.49 2kh2 n ASN 89 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2kh2 s TYR 90 N -1.07 0.78 0.74 3.10 1.51 -0.33 -4.50 117.35 117.58 2kh2 s TYR 90 Ca 0.25 -0.37 -0.09 0.00 -1.01 0.00 0.00 57.07 55.84 2kh2 s TYR 90 Cb 0.14 -0.47 0.16 0.00 -0.11 0.00 0.00 41.96 41.69 2kh2 s TYR 90 CO 0.19 -0.03 1.00 -0.35 -1.11 0.00 0.00 175.55 175.25 2kh2 n PRO 91 N 1.88 -0.73 -3.91 -1.71 -0.04 -1.26 -4.72 135.00 124.51 2kh2 n PRO 91 Ca -0.19 -1.84 -0.09 0.00 -0.04 0.00 0.00 63.50 61.34 2kh2 n PRO 91 Cb 0.55 -0.94 -0.07 0.00 -0.04 0.00 0.00 33.50 33.00 2kh2 n PRO 91 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2kh2 s LYS 92 N -5.14 1.09 0.04 0.54 -2.85 -1.26 -5.07 119.74 107.10 2kh2 s LYS 92 Ca 0.59 -1.09 -0.22 0.00 -1.00 0.00 0.00 55.97 54.26 2kh2 s LYS 92 Cb -0.02 0.38 -0.14 0.00 -2.06 0.00 0.00 37.83 35.99 2kh2 s LYS 92 CO 0.41 -0.39 1.41 -0.22 0.10 0.00 0.00 175.35 176.66 2kh2 h LYS 93 N 2.57 0.25 -4.06 1.78 3.64 -1.91 -3.36 116.57 115.47 2kh2 h LYS 93 Ca -0.32 -0.10 -0.77 0.00 -1.27 0.00 0.00 60.65 58.19 2kh2 h LYS 93 Cb 1.22 -0.01 -0.24 0.00 -0.41 0.00 0.00 32.23 32.79 2kh2 h LYS 93 CO 0.49 0.56 0.25 0.21 -2.27 0.00 0.00 179.45 178.70 2kh2 s LYS 94 N -4.68 3.62 0.67 1.90 2.47 -1.26 -3.30 119.74 119.16 2kh2 s LYS 94 Ca -0.14 -2.34 -0.07 0.00 -1.56 0.00 0.00 55.97 51.86 2kh2 s LYS 94 Cb 0.05 -4.53 0.04 0.00 -1.46 0.00 0.00 37.83 31.93 2kh2 s LYS 94 CO 0.72 -1.39 0.98 -1.64 0.16 0.00 0.00 175.35 174.19 2kh2 s MET 95 N 0.64 2.49 0.58 4.03 -1.94 -1.26 -5.05 119.30 118.79 2kh2 s MET 95 Ca 0.21 -0.12 -0.18 0.00 -1.71 0.00 0.00 55.69 53.89 2kh2 s MET 95 Cb -0.09 -2.19 -0.04 0.00 2.01 0.00 0.00 34.83 34.52 2kh2 s MET 95 CO -0.09 -1.04 1.15 -1.21 -0.01 0.00 0.00 175.02 173.83 2kh2 s GLU 96 N -5.17 3.10 0.60 2.03 8.01 -1.26 -4.89 118.70 121.12 2kh2 s GLU 96 Ca 0.58 1.65 0.31 0.00 0.01 0.00 0.00 54.97 57.52 2kh2 s GLU 96 Cb -0.11 -1.97 1.85 0.00 -4.31 0.00 0.00 34.13 29.60 2kh2 s GLU 96 CO 0.45 -1.06 2.26 -0.22 0.01 0.00 0.00 175.26 176.70 2kh2 h LYS 97 N 0.87 0.00 -0.00 1.61 1.63 -1.96 0.38 116.57 119.10 2kh2 h LYS 97 Ca -0.50 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.30 2kh2 h LYS 97 Cb 1.27 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.90 2kh2 h LYS 97 CO 0.56 0.00 -0.01 2.89 -3.45 0.00 0.00 179.45 179.44 2kh2 n ARG 98 N -3.80 0.40 -0.03 1.90 1.85 -1.26 -2.99 116.66 112.73 2kh2 n ARG 98 Ca -0.03 -0.01 0.03 0.00 -1.00 0.00 0.00 57.85 56.85 2kh2 n ARG 98 Cb 0.09 -1.50 0.04 0.00 -1.05 0.00 0.00 32.46 30.04 2kh2 n ARG 98 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2kh2 n PHE 99 N -1.29 0.07 -3.67 2.89 3.72 0.10 -1.59 117.46 117.69 2kh2 n PHE 99 Ca 0.14 -0.12 -0.37 0.00 -0.05 0.00 0.00 57.45 57.04 2kh2 n PHE 99 Cb 0.25 -0.01 -0.11 0.00 -0.94 0.00 0.00 39.48 38.68 2kh2 n PHE 99 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2kh2 s VAL 100 N -0.66 5.14 0.15 -4.37 1.01 -1.08 -4.32 120.40 116.28 2kh2 s VAL 100 Ca 0.09 0.11 0.10 0.00 0.00 0.00 0.00 61.98 62.28 2kh2 s VAL 100 Cb 0.06 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 2kh2 s VAL 100 CO 0.08 0.31 -0.21 -0.36 0.00 0.00 0.00 175.10 174.93 2kh2 s PHE 101 N 1.39 2.42 -0.44 5.22 0.08 0.06 -2.25 117.98 124.46 2kh2 s PHE 101 Ca 0.07 -0.31 -0.12 0.00 0.12 0.00 0.00 56.93 56.69 2kh2 s PHE 101 Cb -0.15 -1.25 0.08 0.00 -0.57 0.00 0.00 43.02 41.13 2kh2 s PHE 101 CO 0.07 0.43 0.31 -0.80 -0.10 0.00 0.00 175.22 175.13 2kh2 s ASN 102 N -2.37 5.84 -0.48 1.36 0.02 0.20 -1.04 114.94 118.47 2kh2 s ASN 102 Ca 0.19 -1.44 -0.29 0.00 -1.02 0.00 0.00 52.86 50.30 2kh2 s ASN 102 Cb -0.09 -2.06 0.02 0.00 0.02 0.00 0.00 41.25 39.14 2kh2 s ASN 102 CO 0.10 -0.58 1.23 -0.75 0.02 0.00 0.00 177.10 177.11 2kh2 s LYS 103 N 1.51 3.64 -0.01 -0.60 2.20 0.17 -1.46 119.74 125.19 2kh2 s LYS 103 Ca 0.03 0.62 -0.15 0.00 -0.36 0.00 0.00 55.97 56.11 2kh2 s LYS 103 Cb -0.24 -3.96 -0.06 0.00 -1.51 0.00 0.00 37.83 32.07 2kh2 s LYS 103 CO 0.04 -1.49 0.41 0.42 -0.36 0.00 0.00 175.35 174.37 2kh2 s ILE 104 N 4.84 5.03 -0.66 5.43 1.01 0.16 -0.38 121.20 136.63 2kh2 s ILE 104 Ca 0.51 0.85 0.05 0.00 0.00 0.00 0.00 60.65 62.07 2kh2 s ILE 104 Cb -0.09 -3.72 0.26 0.00 0.01 0.00 0.00 42.46 38.92 2kh2 s ILE 104 CO 0.31 0.56 0.83 -0.62 0.00 0.00 0.00 174.94 176.02 2kh2 n GLU 105 N 1.93 2.76 0.00 2.79 1.02 -0.89 -1.15 120.64 127.11 2kh2 n GLU 105 Ca -0.13 -4.69 0.00 0.00 -0.02 0.00 0.00 57.16 52.31 2kh2 n GLU 105 Cb 0.52 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.67 2kh2 n GLU 105 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 2kh2 n ILE 106 N 0.75 0.00 0.00 -3.67 -5.35 -1.24 -4.94 119.36 104.91 2kh2 n ILE 106 Ca 0.30 1.28 0.00 0.00 -0.27 0.00 0.00 62.75 64.06 2kh2 n ILE 106 Cb 0.40 -2.28 0.00 0.00 -1.74 0.00 0.00 39.64 36.02 2kh2 n ILE 106 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 2kh2 n ASN 107 N -1.36 0.00 -0.83 7.28 0.23 -1.26 -4.96 115.26 114.36 2kh2 n ASN 107 Ca 0.00 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 54.13 2kh2 n ASN 107 Cb 0.00 0.00 0.18 0.00 -2.08 0.00 0.00 39.78 37.88 2kh2 n ASN 107 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2kh2 n ASN 108 N 0.00 3.08 -4.32 0.53 4.05 -1.26 -4.94 115.26 112.39 2kh2 n ASN 108 Ca 0.00 -1.93 -0.26 0.00 0.45 0.00 0.00 54.58 52.85 2kh2 n ASN 108 Cb 0.00 -0.25 -0.13 0.00 1.23 0.00 0.00 39.78 40.63 2kh2 n ASN 108 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 2kh2 s LYS 109 N -1.06 1.23 -0.03 1.20 -0.14 -1.26 -4.94 119.74 114.74 2kh2 s LYS 109 Ca 0.29 -1.24 0.01 0.00 -1.36 0.00 0.00 55.97 53.68 2kh2 s LYS 109 Cb 0.16 -1.57 -0.03 0.00 -1.68 0.00 0.00 37.83 34.71 2kh2 s LYS 109 CO 0.21 0.37 -0.04 -0.51 -0.76 0.00 0.00 175.35 174.62 2kh2 s LEU 110 N -1.99 3.31 -0.05 3.17 1.43 0.45 -3.70 118.68 121.31 2kh2 s LEU 110 Ca 0.09 -0.04 0.05 0.00 -1.03 0.00 0.00 54.13 53.21 2kh2 s LEU 110 Cb -0.10 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 2kh2 s LEU 110 CO 0.05 0.32 -0.19 -1.61 0.23 0.00 0.00 176.35 175.14 2kh2 s GLU 111 N -1.23 2.43 -0.40 1.70 2.02 -0.30 0.49 118.70 123.41 2kh2 s GLU 111 Ca 0.16 -0.80 -0.05 0.00 0.02 0.00 0.00 54.97 54.30 2kh2 s GLU 111 Cb -0.11 -2.26 0.09 0.00 0.10 0.00 0.00 34.13 31.95 2kh2 s GLU 111 CO 0.06 0.55 0.20 -0.06 0.02 0.00 0.00 175.26 176.03 2kh2 s PHE 112 N -0.56 3.43 0.11 1.61 0.40 -1.26 0.40 117.98 122.12 2kh2 s PHE 112 Ca 0.08 -1.97 -0.04 0.00 -0.60 0.00 0.00 56.93 54.41 2kh2 s PHE 112 Cb -0.11 -2.96 -0.05 0.00 0.51 0.00 0.00 43.02 40.41 2kh2 s PHE 112 CO 0.01 -0.90 0.33 -2.00 0.70 0.00 0.00 175.22 173.36 2kh2 s GLU 113 N 1.28 3.58 -0.04 0.44 2.12 -0.53 -1.09 118.70 124.45 2kh2 s GLU 113 Ca 0.04 -0.16 -0.23 0.00 0.36 0.00 0.00 54.97 54.98 2kh2 s GLU 113 Cb -0.23 -2.91 -0.04 0.00 0.26 0.00 0.00 34.13 31.21 2kh2 s GLU 113 CO -0.01 0.51 0.68 0.45 -0.54 0.00 0.00 175.26 176.35 2kh2 s SER 114 N -2.40 7.01 0.19 -1.70 0.15 0.02 0.62 113.70 117.59 2kh2 s SER 114 Ca 0.39 1.21 0.00 0.00 0.70 0.00 0.00 55.95 58.25 2kh2 s SER 114 Cb -0.12 -2.41 0.10 0.00 -1.71 0.00 0.00 66.02 61.88 2kh2 s SER 114 CO 0.25 -0.05 1.46 0.00 1.20 0.00 0.00 173.24 176.10 2kh2 h ALA 115 N 6.37 0.65 -0.52 5.45 0.00 -1.70 -3.09 119.26 126.41 2kh2 h ALA 115 Ca -0.42 -0.60 -0.12 0.00 0.00 0.00 0.00 54.91 53.77 2kh2 h ALA 115 Cb 1.20 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2kh2 h ALA 115 CO 0.74 0.77 -0.13 0.37 0.00 0.00 0.00 179.25 181.00 2kh2 h GLN 116 N 0.24 1.01 -3.38 0.00 5.75 -1.75 -3.38 115.11 113.59 2kh2 h GLN 116 Ca -0.03 -0.39 -0.63 0.00 -0.15 0.00 0.00 58.65 57.46 2kh2 h GLN 116 Cb 1.27 -0.06 -0.40 0.00 1.07 0.00 0.00 27.48 29.36 2kh2 h GLN 116 CO 0.12 1.07 -0.69 -0.06 -2.65 0.00 0.00 178.83 176.61 2kh2 s PHE 117 N -4.81 2.63 0.50 3.99 0.08 -1.18 -5.09 117.98 114.09 2kh2 s PHE 117 Ca -0.12 -2.73 -0.24 0.00 0.12 0.00 0.00 56.93 53.97 2kh2 s PHE 117 Cb 0.13 -2.36 -0.07 0.00 -0.57 0.00 0.00 43.02 40.15 2kh2 s PHE 117 CO 0.86 -0.79 1.41 -2.14 -0.10 0.00 0.00 175.22 174.46 2kh2 s PRO 118 N 0.27 3.42 0.00 0.24 0.02 -1.18 -2.18 135.00 135.59 2kh2 s PRO 118 Ca 0.16 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.55 2kh2 s PRO 118 Cb -0.24 -2.48 0.00 0.00 0.02 0.00 0.00 34.50 31.80 2kh2 s PRO 118 CO -0.03 -1.02 0.00 0.09 -0.33 0.00 0.00 177.00 175.72 2kh2 n ASN 119 N -0.58 0.00 -4.44 2.53 5.03 -1.26 -4.99 115.26 111.55 2kh2 n ASN 119 Ca 0.07 0.00 -0.38 0.00 0.87 0.00 0.00 54.58 55.14 2kh2 n ASN 119 Cb 0.43 -0.02 -0.12 0.00 -1.02 0.00 0.00 39.78 39.05 2kh2 n ASN 119 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 2kh2 s TRP 120 N -3.58 3.17 0.19 3.10 0.52 -0.93 -4.40 118.94 117.01 2kh2 s TRP 120 Ca 0.00 -0.55 0.08 0.00 0.02 0.00 0.00 56.10 55.65 2kh2 s TRP 120 Cb 0.00 -2.35 -0.04 0.00 -1.15 0.00 0.00 33.47 29.93 2kh2 s TRP 120 CO 0.00 -0.45 -0.04 0.71 0.02 0.00 0.00 176.95 177.19 2kh2 s TYR 121 N 1.62 2.73 -0.33 -1.98 1.51 0.56 -0.80 117.35 120.66 2kh2 s TYR 121 Ca 0.05 -0.19 -0.28 0.00 -1.01 0.00 0.00 57.07 55.64 2kh2 s TYR 121 Cb -0.17 -1.31 -0.02 0.00 -0.11 0.00 0.00 41.96 40.35 2kh2 s TYR 121 CO 0.06 0.53 1.76 0.42 -1.11 0.00 0.00 175.55 177.21 2kh2 s ILE 122 N -1.80 3.52 0.22 2.71 1.01 -0.25 -0.27 121.20 126.35 2kh2 s ILE 122 Ca 0.27 0.53 0.09 0.00 0.00 0.00 0.00 60.65 61.54 2kh2 s ILE 122 Cb -0.09 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 2kh2 s ILE 122 CO 0.17 -0.44 -0.03 -0.44 0.00 0.00 0.00 174.94 174.20 2kh2 s SER 123 N 5.80 4.50 0.08 3.58 0.01 0.12 -4.46 113.70 123.32 2kh2 s SER 123 Ca 0.78 -0.58 0.03 0.00 1.31 0.00 0.00 55.95 57.49 2kh2 s SER 123 Cb -0.22 -0.84 -0.03 0.00 0.21 0.00 0.00 66.02 65.14 2kh2 s SER 123 CO 0.34 0.05 -0.09 0.42 0.41 0.00 0.00 173.24 174.37 2kh2 s THR 124 N -2.01 0.79 0.46 1.44 -4.23 -0.12 -1.52 115.64 110.46 2kh2 s THR 124 Ca 0.29 -1.48 -0.04 0.00 -1.18 0.00 0.00 61.69 59.28 2kh2 s THR 124 Cb -0.08 -1.15 -0.03 0.00 1.34 0.00 0.00 72.50 72.59 2kh2 s THR 124 CO 0.18 -0.52 0.74 -0.44 -0.54 0.00 0.00 174.62 174.04 2kh2 s SER 125 N -2.20 6.17 0.22 3.99 0.01 -1.26 -0.28 113.70 120.35 2kh2 s SER 125 Ca 0.01 0.76 -0.01 0.00 1.31 0.00 0.00 55.95 58.02 2kh2 s SER 125 Cb -0.04 -2.09 0.22 0.00 0.21 0.00 0.00 66.02 64.32 2kh2 s SER 125 CO -0.00 -0.58 1.58 1.56 0.41 0.00 0.00 173.24 176.21 2kh2 h GLN 126 N 0.30 0.50 -7.17 12.44 1.08 -1.96 -3.45 115.11 116.86 2kh2 h GLN 126 Ca -0.47 -0.27 -0.54 0.00 -1.45 0.00 0.00 58.65 55.92 2kh2 h GLN 126 Cb 1.22 0.01 0.15 0.00 -0.05 0.00 0.00 27.48 28.81 2kh2 h GLN 126 CO 0.61 0.85 0.41 0.00 -0.95 0.00 0.00 178.83 179.75 2kh2 s ALA 127 N -4.15 2.17 0.39 3.87 0.00 -1.26 -4.99 121.76 117.78 2kh2 s ALA 127 Ca -0.07 0.92 -0.23 0.00 0.00 0.00 0.00 51.96 52.58 2kh2 s ALA 127 Cb 0.12 -3.48 -0.11 0.00 0.00 0.00 0.00 23.12 19.66 2kh2 s ALA 127 CO 0.82 -1.81 0.95 -2.00 0.00 0.00 0.00 175.76 173.73 2kh2 s GLU 128 N -3.83 4.34 -1.20 0.00 2.56 -1.26 -3.87 118.70 115.44 2kh2 s GLU 128 Ca 0.75 1.21 0.00 0.00 0.00 0.00 0.00 54.97 56.93 2kh2 s GLU 128 Cb -0.30 -2.40 0.00 0.00 2.00 0.00 0.00 34.13 33.43 2kh2 s GLU 128 CO 0.44 0.07 0.00 -1.71 -0.56 0.00 0.00 175.26 173.50 2kh2 n ASN 129 N -0.21 -4.30 -4.86 -1.70 5.15 -1.05 -5.00 115.26 103.28 2kh2 n ASN 129 Ca 0.05 -0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.66 2kh2 n ASN 129 Cb 0.52 -3.45 -0.06 0.00 -0.53 0.00 0.00 39.78 36.26 2kh2 n ASN 129 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2kh2 s MET 130 N -4.65 3.57 1.04 1.20 -1.94 -1.17 -4.85 119.30 112.50 2kh2 s MET 130 Ca 0.00 -0.04 -0.12 0.00 -1.71 0.00 0.00 55.69 53.82 2kh2 s MET 130 Cb 0.00 -3.21 0.21 0.00 2.01 0.00 0.00 34.83 33.84 2kh2 s MET 130 CO 0.00 0.73 1.08 -2.14 -0.01 0.00 0.00 175.02 174.68 2kh2 s PRO 131 N -0.95 0.12 -0.21 2.03 0.02 -1.26 -0.07 135.00 134.67 2kh2 s PRO 131 Ca 0.16 0.66 -0.11 0.00 0.02 0.00 0.00 61.00 61.74 2kh2 s PRO 131 Cb -0.13 -1.69 -0.05 0.00 0.02 0.00 0.00 34.50 32.65 2kh2 s PRO 131 CO 0.05 -2.98 0.16 0.08 -0.33 0.00 0.00 177.00 173.99 2kh2 s VAL 132 N -2.81 5.38 0.32 3.83 1.01 -0.19 -4.45 120.40 123.48 2kh2 s VAL 132 Ca 0.66 0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.93 2kh2 s VAL 132 Cb -0.20 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 2kh2 s VAL 132 CO 0.60 0.40 0.18 2.22 0.00 0.00 0.00 175.10 178.49 2kh2 n PHE 133 N 3.81 -0.25 -3.78 5.22 -1.74 -0.57 -4.82 117.46 115.33 2kh2 n PHE 133 Ca -0.15 -2.31 -0.36 0.00 -0.56 0.00 0.00 57.45 54.07 2kh2 n PHE 133 Cb 0.52 0.11 -0.11 0.00 1.52 0.00 0.00 39.48 41.52 2kh2 n PHE 133 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 2kh2 s LEU 134 N 0.00 3.79 0.10 5.98 2.96 -1.26 0.14 118.68 130.38 2kh2 s LEU 134 Ca 0.25 -0.03 0.10 0.00 -0.22 0.00 0.00 54.13 54.24 2kh2 s LEU 134 Cb 0.01 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 2kh2 s LEU 134 CO 0.18 0.04 -0.26 -0.83 -1.32 0.00 0.00 176.35 174.16 2kh2 s GLY 135 N 1.20 1.52 0.00 7.98 0.00 0.63 -4.86 107.32 113.79 2kh2 s GLY 135 Ca 0.06 -1.39 0.10 0.00 0.00 0.00 0.00 44.72 43.49 2kh2 s GLY 135 CO 0.04 -1.33 0.97 0.61 0.00 0.00 0.00 173.10 173.40 2kh2 n GLY 136 N 1.23 0.82 2.69 0.20 0.00 -1.26 -0.32 105.19 108.55 2kh2 n GLY 136 Ca -0.17 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 2kh2 n GLY 136 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kh2 n THR 137 N 0.49 5.99 -1.89 2.61 -1.04 -1.26 -4.88 114.28 114.30 2kh2 n THR 137 Ca 0.07 -5.98 -0.42 0.00 -2.04 0.00 0.00 64.05 55.69 2kh2 n THR 137 Cb 0.31 -1.61 -0.03 0.00 -1.82 0.00 0.00 70.33 67.18 2kh2 n THR 137 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2kh2 s LYS 138 N -4.15 4.20 0.00 -2.82 2.20 -1.26 -1.86 119.74 116.05 2kh2 s LYS 138 Ca 0.38 2.41 0.00 0.00 -0.36 0.00 0.00 55.97 58.40 2kh2 s LYS 138 Cb 0.17 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 33.31 2kh2 s LYS 138 CO -0.10 -0.65 0.00 0.41 -0.36 0.00 0.00 175.35 174.65 2kh2 n GLY 139 N 3.82 0.70 0.00 5.54 0.00 -1.26 -5.05 105.19 108.94 2kh2 n GLY 139 Ca 0.14 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2kh2 n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kh2 n GLY 140 N -2.54 0.70 0.11 -0.02 0.00 -0.78 -5.02 105.19 97.64 2kh2 n GLY 140 Ca 0.00 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 2kh2 n GLY 140 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kh2 n GLN 141 N 0.00 0.68 -1.28 1.61 3.00 -1.26 -4.96 117.38 115.17 2kh2 n GLN 141 Ca 0.00 0.13 -0.29 0.00 -0.01 0.00 0.00 57.00 56.83 2kh2 n GLN 141 Cb 0.00 -1.61 0.15 0.00 0.00 0.00 0.00 30.24 28.79 2kh2 n GLN 141 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2kh2 s ASP 142 N -6.09 3.14 -0.17 1.08 1.01 -1.26 -4.69 116.67 109.70 2kh2 s ASP 142 Ca -0.17 1.22 -0.05 0.00 0.71 0.00 0.00 52.55 54.26 2kh2 s ASP 142 Cb 0.07 -1.88 -0.03 0.00 1.01 0.00 0.00 42.92 42.09 2kh2 s ASP 142 CO 0.76 -2.81 0.02 -0.63 0.21 0.00 0.00 175.17 172.72 2kh2 s ILE 143 N -3.04 4.37 -0.16 0.77 1.01 0.61 -4.77 121.20 120.00 2kh2 s ILE 143 Ca 0.64 -0.19 0.05 0.00 0.00 0.00 0.00 60.65 61.15 2kh2 s ILE 143 Cb -0.17 -2.94 -0.06 0.00 0.01 0.00 0.00 42.46 39.29 2kh2 s ILE 143 CO 0.56 0.48 0.17 0.35 0.00 0.00 0.00 174.94 176.51 2kh2 n THR 144 N 3.45 0.00 -3.68 2.92 -2.24 -1.26 -0.94 114.28 112.53 2kh2 n THR 144 Ca -0.17 -0.30 -0.37 0.00 -2.27 0.00 0.00 64.05 60.95 2kh2 n THR 144 Cb 0.52 0.80 -0.06 0.00 -2.10 0.00 0.00 70.33 69.50 2kh2 n THR 144 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2kh2 s ASP 145 N -1.82 6.60 0.30 3.42 -4.77 -1.26 -4.01 116.67 115.13 2kh2 s ASP 145 Ca 0.01 0.71 0.03 0.00 -3.30 0.00 0.00 52.55 49.99 2kh2 s ASP 145 Cb 0.04 -2.15 -0.04 0.00 -1.09 0.00 0.00 42.92 39.67 2kh2 s ASP 145 CO 0.20 0.32 0.14 -0.36 0.70 0.00 0.00 175.17 176.17 2kh2 s PHE 146 N -1.15 1.60 0.54 2.11 0.08 0.18 -3.81 117.98 117.53 2kh2 s PHE 146 Ca 0.23 -1.31 0.05 0.00 0.12 0.00 0.00 56.93 56.03 2kh2 s PHE 146 Cb -0.14 -0.89 0.04 0.00 -0.57 0.00 0.00 43.02 41.45 2kh2 s PHE 146 CO 0.12 -0.45 0.40 0.95 -0.10 0.00 0.00 175.22 176.14 2kh2 s THR 147 N -3.62 1.68 -0.13 0.64 -4.23 0.43 -0.41 115.64 110.00 2kh2 s THR 147 Ca 0.36 -1.49 -0.04 0.00 -1.18 0.00 0.00 61.69 59.33 2kh2 s THR 147 Cb 0.06 -2.18 0.05 0.00 1.34 0.00 0.00 72.50 71.77 2kh2 s THR 147 CO 0.16 0.00 0.08 -0.32 -0.54 0.00 0.00 174.62 174.01 2kh2 s MET 148 N -4.27 0.02 -0.17 3.99 1.75 -1.26 -3.88 119.30 115.48 2kh2 s MET 148 Ca 0.34 0.09 0.01 0.00 -1.25 0.00 0.00 55.69 54.88 2kh2 s MET 148 Cb -0.02 -1.35 0.02 0.00 2.84 0.00 0.00 34.83 36.31 2kh2 s MET 148 CO 0.21 -0.55 -0.20 -0.65 -0.65 0.00 0.00 175.02 173.18 2kh2 s GLN 149 N 2.16 2.99 0.14 4.11 1.11 -0.11 -4.94 119.66 125.12 2kh2 s GLN 149 Ca 0.03 -0.84 -0.09 0.00 0.01 0.00 0.00 55.36 54.48 2kh2 s GLN 149 Cb -0.15 -2.53 -0.06 0.00 -1.01 0.00 0.00 33.01 29.26 2kh2 s GLN 149 CO -0.07 -0.16 0.45 -0.06 0.01 0.00 0.00 175.29 175.46 2kh2 s PHE 150 N 1.17 3.52 0.24 0.91 0.08 -1.26 0.36 117.98 122.99 2kh2 s PHE 150 Ca 0.02 0.78 0.08 0.00 0.12 0.00 0.00 56.93 57.93 2kh2 s PHE 150 Cb -0.14 -2.17 -0.05 0.00 -0.57 0.00 0.00 43.02 40.10 2kh2 s PHE 150 CO -0.10 0.43 -0.12 0.14 -0.10 0.00 0.00 175.22 175.46 2kh2 s VAL 151 N -1.57 1.80 -1.34 -0.44 -7.23 -1.13 -4.97 120.40 105.52 2kh2 s VAL 151 Ca 0.39 -2.21 -0.15 0.00 -1.81 0.00 0.00 61.98 58.20 2kh2 s VAL 151 Cb -0.13 -2.21 0.08 0.00 0.56 0.00 0.00 36.38 34.69 2kh2 s VAL 151 CO 0.21 -0.48 1.87 -1.20 -0.31 0.00 0.00 175.10 175.19 2kh2 n SER 152 N -0.48 4.65 0.00 4.85 7.64 -1.26 -4.76 113.62 124.26 2kh2 n SER 152 Ca -0.07 -2.92 0.00 0.00 1.01 0.00 0.00 58.87 56.89 2kh2 n SER 152 Cb 0.61 -1.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83