#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 0.66 -5.51 0.00 0.11 -2.07 -3.43 132.00 121.77 2kh2 h PRO 2 Ca 0.00 -0.35 -0.66 0.00 0.11 0.00 0.00 66.00 65.10 2kh2 h PRO 2 Cb 0.00 0.01 -0.25 0.00 0.11 0.00 0.00 31.00 30.88 2kh2 h PRO 2 CO 0.00 0.96 -0.74 0.54 -0.21 0.00 0.00 178.00 178.55 2kh2 s VAL 3 N -4.26 3.29 0.00 3.15 0.11 -1.26 -5.11 120.40 116.33 2kh2 s VAL 3 Ca -0.08 -0.59 -0.18 0.00 -2.93 0.00 0.00 61.98 58.20 2kh2 s VAL 3 Cb 0.12 -2.38 -0.06 0.00 -1.53 0.00 0.00 36.38 32.53 2kh2 s VAL 3 CO 0.84 0.53 0.51 -0.13 -3.33 0.00 0.00 175.10 173.52 2kh2 s ARG 4 N 0.11 4.16 -0.10 1.54 0.52 -1.26 -5.05 118.95 118.88 2kh2 s ARG 4 Ca -0.05 0.59 -0.18 0.00 -0.52 0.00 0.00 55.73 55.57 2kh2 s ARG 4 Cb -0.14 -3.29 0.04 0.00 0.52 0.00 0.00 34.95 32.08 2kh2 s ARG 4 CO 0.04 0.52 0.45 -1.12 0.02 0.00 0.00 175.30 175.21 2kh2 s SER 5 N -0.64 -0.41 0.28 0.23 0.01 -1.26 -2.88 113.70 109.03 2kh2 s SER 5 Ca 0.27 0.60 0.03 0.00 1.31 0.00 0.00 55.95 58.16 2kh2 s SER 5 Cb -0.18 0.66 -0.06 0.00 0.21 0.00 0.00 66.02 66.65 2kh2 s SER 5 CO 0.15 -0.34 0.05 -1.48 0.41 0.00 0.00 173.24 172.03 2kh2 s LEU 6 N -0.56 2.06 -0.15 2.44 0.05 -0.58 -4.95 118.68 117.00 2kh2 s LEU 6 Ca -0.07 -1.33 0.01 0.00 0.05 0.00 0.00 54.13 52.79 2kh2 s LEU 6 Cb -0.03 -0.26 0.00 0.00 -2.05 0.00 0.00 46.19 43.85 2kh2 s LEU 6 CO 0.04 -0.60 -0.18 0.20 -0.55 0.00 0.00 176.35 175.25 2kh2 s ASN 7 N -3.40 3.41 0.17 1.48 0.01 -1.26 -0.26 114.94 115.10 2kh2 s ASN 7 Ca 0.35 -0.53 -0.04 0.00 -0.71 0.00 0.00 52.86 51.93 2kh2 s ASN 7 Cb 0.08 -1.51 -0.03 0.00 0.41 0.00 0.00 41.25 40.20 2kh2 s ASN 7 CO 0.13 0.09 0.17 0.00 -1.51 0.00 0.00 177.10 175.98 2kh2 s THR 9 N -4.07 2.91 -0.19 0.00 -4.23 0.14 -1.09 115.64 109.11 2kh2 s THR 9 Ca 0.28 -0.87 -0.05 0.00 -1.18 0.00 0.00 61.69 59.86 2kh2 s THR 9 Cb 0.06 -2.15 -0.03 0.00 1.34 0.00 0.00 72.50 71.72 2kh2 s THR 9 CO 0.06 0.53 0.01 -0.76 -0.54 0.00 0.00 174.62 173.91 2kh2 s LEU 10 N -0.90 3.35 -0.01 4.79 1.43 -1.25 -1.75 118.68 124.33 2kh2 s LEU 10 Ca 0.12 -0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 2kh2 s LEU 10 Cb -0.11 -1.84 -0.00 0.00 0.03 0.00 0.00 46.19 44.27 2kh2 s LEU 10 CO 0.02 0.09 -0.09 -0.13 0.23 0.00 0.00 176.35 176.47 2kh2 s ARG 11 N 0.84 0.78 0.96 1.70 0.52 -0.82 -4.12 118.95 118.82 2kh2 s ARG 11 Ca 0.01 -0.31 -0.16 0.00 -0.52 0.00 0.00 55.73 54.75 2kh2 s ARG 11 Cb -0.14 -0.75 0.19 0.00 0.52 0.00 0.00 34.95 34.77 2kh2 s ARG 11 CO 0.02 0.17 1.30 0.16 0.02 0.00 0.00 175.30 176.97 2kh2 s ASP 12 N -0.08 3.16 0.00 0.23 3.84 -1.17 0.41 116.67 123.05 2kh2 s ASP 12 Ca 0.01 0.34 0.08 0.00 -0.00 0.00 0.00 52.55 52.99 2kh2 s ASP 12 Cb -0.05 -0.44 0.37 0.00 -1.38 0.00 0.00 42.92 41.41 2kh2 s ASP 12 CO -0.00 -2.71 1.19 -1.54 -0.00 0.00 0.00 175.17 172.10 2kh2 n SER 13 N -3.77 0.00 -1.09 2.11 3.41 -1.25 -1.15 113.62 111.88 2kh2 n SER 13 Ca 0.14 0.34 0.11 0.00 -0.26 0.00 0.00 58.87 59.20 2kh2 n SER 13 Cb 0.60 -0.40 0.22 0.00 -0.26 0.00 0.00 64.21 64.37 2kh2 n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kh2 n GLN 14 N -1.40 2.46 -1.82 4.33 1.13 -1.26 -4.94 117.38 115.88 2kh2 n GLN 14 Ca 0.03 -2.26 -0.11 0.00 -1.94 0.00 0.00 57.00 52.71 2kh2 n GLN 14 Cb 0.08 -1.48 -0.02 0.00 0.11 0.00 0.00 30.24 28.93 2kh2 n GLN 14 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2kh2 n GLN 15 N 1.36 -0.84 -2.54 -1.09 1.13 -0.30 -4.96 117.38 110.14 2kh2 n GLN 15 Ca 0.19 0.69 -0.32 0.00 -1.94 0.00 0.00 57.00 55.62 2kh2 n GLN 15 Cb 0.57 -4.75 -0.04 0.00 0.11 0.00 0.00 30.24 26.13 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 -3.85 3.95 0.12 -1.09 1.02 -1.26 -4.24 119.74 114.39 2kh2 s LYS 16 Ca 0.00 0.88 0.11 0.00 0.02 0.00 0.00 55.97 56.98 2kh2 s LYS 16 Cb 0.00 -2.19 -0.04 0.00 -0.52 0.00 0.00 37.83 35.08 2kh2 s LYS 16 CO 0.00 -0.19 -0.27 -1.12 -0.92 0.00 0.00 175.35 172.85 2kh2 s SER 17 N -2.96 3.26 -0.17 2.83 0.01 0.13 -3.05 113.70 113.74 2kh2 s SER 17 Ca 0.58 -0.72 -0.23 0.00 1.31 0.00 0.00 55.95 56.88 2kh2 s SER 17 Cb -0.10 -0.23 -0.02 0.00 0.21 0.00 0.00 66.02 65.88 2kh2 s SER 17 CO 0.29 0.19 0.73 -0.76 0.41 0.00 0.00 173.24 174.09 2kh2 s LEU 18 N -1.93 4.18 0.05 2.44 1.43 -1.26 -1.55 118.68 122.03 2kh2 s LEU 18 Ca 0.13 1.02 0.08 0.00 -1.03 0.00 0.00 54.13 54.33 2kh2 s LEU 18 Cb -0.10 -3.06 -0.03 0.00 0.03 0.00 0.00 46.19 43.03 2kh2 s LEU 18 CO 0.05 -0.31 -0.21 0.68 0.23 0.00 0.00 176.35 176.79 2kh2 s VAL 19 N 1.89 1.73 -0.39 -1.59 -7.23 0.47 -2.90 120.40 112.38 2kh2 s VAL 19 Ca 0.34 -1.24 -0.29 0.00 -1.81 0.00 0.00 61.98 58.98 2kh2 s VAL 19 Cb -0.16 -1.50 0.02 0.00 0.56 0.00 0.00 36.38 35.29 2kh2 s VAL 19 CO 0.12 0.22 1.23 -0.04 -0.31 0.00 0.00 175.10 176.31 2kh2 s MET 20 N -1.22 3.80 0.00 4.82 -1.94 -1.26 -0.88 119.30 122.61 2kh2 s MET 20 Ca 0.08 0.91 0.00 0.00 -1.71 0.00 0.00 55.69 54.97 2kh2 s MET 20 Cb -0.09 -3.90 0.00 0.00 2.01 0.00 0.00 34.83 32.85 2kh2 s MET 20 CO 0.02 -1.27 0.20 0.45 -0.01 0.00 0.00 175.02 174.41 2kh2 n SER 21 N 7.84 0.00 -0.00 3.03 2.88 0.97 -4.96 113.62 123.38 2kh2 n SER 21 Ca 0.14 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 2kh2 n SER 21 Cb 0.48 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 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 1.43 2.90 0.22 0.46 0.00 -1.23 -4.94 105.19 104.03 2kh2 n GLY 22 Ca 0.00 -2.04 0.07 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.36 1.61 0.13 -2.04 -3.27 132.00 128.07 2kh2 h PRO 23 Ca 0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.89 2kh2 h PRO 23 Cb 0.00 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 30.73 2kh2 h PRO 23 CO 0.00 0.26 -1.09 0.66 -0.23 0.00 0.00 178.00 177.59 2kh2 n TYR 24 N -3.90 1.07 -4.45 1.56 4.01 -1.26 -5.08 117.16 109.11 2kh2 n TYR 24 Ca -0.02 -1.84 -0.20 0.00 -0.16 0.00 0.00 57.90 55.68 2kh2 n TYR 24 Cb 0.34 -0.22 -0.15 0.00 -0.31 0.00 0.00 39.34 39.00 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 -3.11 0.97 -0.07 -0.72 2.12 -1.24 -4.32 118.70 112.34 2kh2 s GLU 25 Ca 0.29 -0.36 0.05 0.00 0.36 0.00 0.00 54.97 55.31 2kh2 s GLU 25 Cb 0.34 -0.92 -0.00 0.00 0.26 0.00 0.00 34.13 33.81 2kh2 s GLU 25 CO -0.06 0.17 -0.22 -0.51 -0.54 0.00 0.00 175.26 174.10 2kh2 s LEU 26 N -0.01 2.02 0.12 2.70 1.43 -1.26 -0.02 118.68 123.65 2kh2 s LEU 26 Ca 0.00 -0.48 0.08 0.00 -1.03 0.00 0.00 54.13 52.70 2kh2 s LEU 26 Cb -0.07 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.85 2kh2 s LEU 26 CO 0.00 0.19 -0.19 -0.54 0.23 0.00 0.00 176.35 176.05 2kh2 s LYS 27 N 0.06 1.13 -0.16 1.70 1.02 -0.06 -2.57 119.74 120.85 2kh2 s LYS 27 Ca -0.08 -1.22 -0.01 0.00 0.02 0.00 0.00 55.97 54.68 2kh2 s LYS 27 Cb -0.15 -1.27 -0.01 0.00 -0.52 0.00 0.00 37.83 35.89 2kh2 s LYS 27 CO 0.05 0.28 -0.11 0.00 -0.92 0.00 0.00 175.35 174.64 2kh2 s ALA 28 N -1.53 2.64 0.10 5.17 0.00 0.64 -0.40 121.76 128.38 2kh2 s ALA 28 Ca 0.09 -0.99 -0.18 0.00 0.00 0.00 0.00 51.96 50.88 2kh2 s ALA 28 Cb -0.08 -1.34 0.04 0.00 0.00 0.00 0.00 23.12 21.74 2kh2 s ALA 28 CO 0.05 0.02 0.43 -0.48 0.00 0.00 0.00 175.76 175.77 2kh2 s LEU 29 N 0.73 0.29 0.15 0.00 0.05 -0.60 -2.28 118.68 117.03 2kh2 s LEU 29 Ca -0.05 -0.16 -0.31 0.00 0.05 0.00 0.00 54.13 53.66 2kh2 s LEU 29 Cb -0.15 1.89 -0.11 0.00 -2.05 0.00 0.00 46.19 45.77 2kh2 s LEU 29 CO 0.02 -0.79 1.74 -1.00 -0.55 0.00 0.00 176.35 175.76 2kh2 s HIS 30 N -3.28 2.56 -0.36 3.48 3.76 -1.26 0.19 115.29 120.38 2kh2 s HIS 30 Ca -0.00 0.23 0.00 0.00 -0.15 0.00 0.00 55.06 55.14 2kh2 s HIS 30 Cb 0.01 -4.10 0.12 0.00 1.11 0.00 0.00 32.58 29.71 2kh2 s HIS 30 CO -0.08 -4.36 0.17 -1.17 -0.85 0.00 0.00 174.74 168.45 2kh2 s LEU 31 N 1.98 2.13 -0.05 0.89 2.96 -1.26 -4.87 118.68 120.46 2kh2 s LEU 31 Ca 0.76 -2.07 -0.01 0.00 -0.22 0.00 0.00 54.13 52.60 2kh2 s LEU 31 Cb -0.46 -0.83 0.03 0.00 0.50 0.00 0.00 46.19 45.43 2kh2 s LEU 31 CO 0.34 -0.35 0.02 -1.58 -1.32 0.00 0.00 176.35 173.46 2kh2 s GLN 32 N 1.10 0.36 0.00 1.98 0.74 -1.26 -4.80 119.66 117.78 2kh2 s GLN 32 Ca 0.14 0.16 0.00 0.00 0.05 0.00 0.00 55.36 55.71 2kh2 s GLN 32 Cb -0.21 -0.72 0.00 0.00 1.10 0.00 0.00 33.01 33.18 2kh2 s GLN 32 CO -0.12 -0.26 0.00 0.41 -0.55 0.00 0.00 175.29 174.77 2kh2 n GLY 33 N 4.88 0.86 0.00 2.59 0.00 -1.26 -4.81 105.19 107.45 2kh2 n GLY 33 Ca -0.12 -1.79 0.14 0.00 0.00 0.00 0.00 46.02 44.25 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 0.32 -0.26 1.61 -0.06 -1.26 -2.54 117.38 115.20 2kh2 n GLN 34 Ca 0.00 0.02 0.11 0.00 -2.00 0.00 0.00 57.00 55.13 2kh2 n GLN 34 Cb 0.00 -1.50 0.27 0.00 -4.06 0.00 0.00 30.24 24.95 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 -1.33 3.21 0.22 1.69 9.92 -1.26 -4.21 116.55 124.80 2kh2 n ASP 35 Ca 0.12 -1.97 0.09 0.00 -0.53 0.00 0.00 54.79 52.50 2kh2 n ASP 35 Cb 0.24 -0.34 0.51 0.00 -0.64 0.00 0.00 41.12 40.89 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 3.74 0.00 -1.60 -1.24 4.05 -1.80 -3.20 114.93 114.87 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 0.84 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.64 2kh2 h MET 36 CO 0.00 0.24 0.00 0.39 0.23 0.00 0.00 176.91 177.77 2kh2 n GLU 37 N -3.63 0.65 0.00 0.39 -0.58 -1.26 -2.29 120.64 113.92 2kh2 n GLU 37 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 2kh2 n GLU 37 Cb 0.37 -1.18 0.00 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 1.06 1.47 -2.23 3.49 6.02 -1.21 -5.06 117.38 120.92 2kh2 n GLN 38 Ca 0.00 -1.03 -0.37 0.00 -0.01 0.00 0.00 57.00 55.59 2kh2 n GLN 38 Cb 0.32 -0.89 -0.01 0.00 1.02 0.00 0.00 30.24 30.69 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 -0.56 3.80 0.04 -1.09 0.00 -0.97 -4.80 119.66 116.08 2kh2 s GLN 39 Ca 0.00 1.83 -0.21 0.00 -0.00 0.00 0.00 55.36 56.98 2kh2 s GLN 39 Cb 0.00 -2.47 -0.06 0.00 0.00 0.00 0.00 33.01 30.48 2kh2 s GLN 39 CO 0.00 -0.53 0.61 0.08 0.00 0.00 0.00 175.29 175.45 2kh2 s VAL 40 N -1.49 4.78 -0.16 3.63 1.01 -1.14 -5.06 120.40 121.96 2kh2 s VAL 40 Ca 0.62 1.30 -0.05 0.00 0.00 0.00 0.00 61.98 63.84 2kh2 s VAL 40 Cb -0.30 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 2kh2 s VAL 40 CO 0.37 0.48 0.01 -0.69 0.00 0.00 0.00 175.10 175.27 2kh2 s VAL 41 N -0.63 4.36 -0.12 2.92 1.01 -1.26 -4.65 120.40 122.03 2kh2 s VAL 41 Ca 0.31 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 2kh2 s VAL 41 Cb -0.19 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 2kh2 s VAL 41 CO 0.19 0.49 0.02 -0.36 0.00 0.00 0.00 175.10 175.44 2kh2 s PHE 42 N 0.24 3.21 -0.20 5.22 0.40 -0.25 -1.06 117.98 125.54 2kh2 s PHE 42 Ca 0.01 0.14 -0.16 0.00 -0.60 0.00 0.00 56.93 56.31 2kh2 s PHE 42 Cb -0.13 -1.89 -0.04 0.00 0.51 0.00 0.00 43.02 41.48 2kh2 s PHE 42 CO 0.02 0.36 0.41 -1.12 0.70 0.00 0.00 175.22 175.59 2kh2 s SER 43 N -0.48 6.45 -0.25 1.36 0.01 0.80 -1.38 113.70 120.21 2kh2 s SER 43 Ca 0.09 0.53 -0.06 0.00 1.31 0.00 0.00 55.95 57.83 2kh2 s SER 43 Cb -0.12 -2.24 -0.01 0.00 0.21 0.00 0.00 66.02 63.87 2kh2 s SER 43 CO 0.02 -0.08 0.03 -0.04 0.41 0.00 0.00 173.24 173.57 2kh2 s MET 44 N 1.31 3.32 0.01 12.44 -1.94 0.65 -2.81 119.30 132.28 2kh2 s MET 44 Ca 0.20 -0.68 0.01 0.00 -1.71 0.00 0.00 55.69 53.50 2kh2 s MET 44 Cb -0.15 -3.21 -0.04 0.00 2.01 0.00 0.00 34.83 33.45 2kh2 s MET 44 CO 0.08 -0.29 0.05 -1.12 -0.01 0.00 0.00 175.02 173.73 2kh2 s SER 45 N 1.51 5.44 -0.66 3.03 0.01 -1.23 -1.52 113.70 120.28 2kh2 s SER 45 Ca 0.05 0.07 -0.23 0.00 1.31 0.00 0.00 55.95 57.14 2kh2 s SER 45 Cb -0.16 -1.50 0.06 0.00 0.21 0.00 0.00 66.02 64.64 2kh2 s SER 45 CO 0.00 0.26 1.01 -0.36 0.41 0.00 0.00 173.24 174.56 2kh2 s PHE 46 N -1.18 2.63 0.83 2.43 0.08 -1.14 -1.69 117.98 119.94 2kh2 s PHE 46 Ca 0.22 -0.42 -0.09 0.00 0.12 0.00 0.00 56.93 56.77 2kh2 s PHE 46 Cb -0.12 -4.32 0.15 0.00 -0.57 0.00 0.00 43.02 38.16 2kh2 s PHE 46 CO 0.14 -1.68 1.15 0.14 -0.10 0.00 0.00 175.22 174.86 2kh2 s VAL 47 N 4.31 2.09 -0.34 -0.44 -7.23 -1.16 -4.85 120.40 112.77 2kh2 s VAL 47 Ca 0.25 -0.28 -0.08 0.00 -1.81 0.00 0.00 61.98 60.06 2kh2 s VAL 47 Cb -0.15 -2.81 0.03 0.00 0.56 0.00 0.00 36.38 34.01 2kh2 s VAL 47 CO 0.12 0.00 0.14 -1.58 -0.31 0.00 0.00 175.10 173.47 2kh2 s GLN 48 N -5.50 2.80 0.00 4.82 2.00 -1.22 -4.81 119.66 117.75 2kh2 s GLN 48 Ca 0.69 -1.07 0.00 0.00 -2.00 0.00 0.00 55.36 52.98 2kh2 s GLN 48 Cb -0.05 -3.55 0.00 0.00 0.80 0.00 0.00 33.01 30.21 2kh2 s GLN 48 CO 0.48 -0.63 0.00 0.41 -0.50 0.00 0.00 175.29 175.05 2kh2 n GLY 49 N 4.90 0.08 3.94 2.59 0.00 -1.26 -4.94 105.19 110.50 2kh2 n GLY 49 Ca -0.13 0.38 -0.26 0.00 0.00 0.00 0.00 46.02 46.01 2kh2 n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kh2 s GLU 50 N 0.98 1.78 -0.30 1.61 8.01 -1.26 -5.06 118.70 124.46 2kh2 s GLU 50 Ca 0.00 -0.48 -0.10 0.00 0.01 0.00 0.00 54.97 54.41 2kh2 s GLU 50 Cb 0.00 -2.14 0.16 0.00 -4.31 0.00 0.00 34.13 27.83 2kh2 s GLU 50 CO 0.00 -1.51 0.78 -2.00 0.01 0.00 0.00 175.26 172.54 2kh2 s GLU 51 N -5.35 0.46 0.23 1.61 2.12 -1.26 -4.46 118.70 112.05 2kh2 s GLU 51 Ca 0.64 1.03 -0.06 0.00 0.36 0.00 0.00 54.97 56.95 2kh2 s GLU 51 Cb -0.08 0.61 0.02 0.00 0.26 0.00 0.00 34.13 34.94 2kh2 s GLU 51 CO 0.46 -0.27 0.41 -1.13 -0.54 0.00 0.00 175.26 174.19 2kh2 n SER 52 N 5.31 -1.17 -0.11 -1.70 3.41 -1.12 -5.01 113.62 113.23 2kh2 n SER 52 Ca -0.08 -2.03 0.13 0.00 -0.26 0.00 0.00 58.87 56.63 2kh2 n SER 52 Cb 0.51 2.01 0.48 0.00 -0.26 0.00 0.00 64.21 66.94 2kh2 n SER 52 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2kh2 n ASN 53 N -1.51 0.56 0.00 4.04 5.15 -1.26 -4.39 115.26 117.85 2kh2 n ASN 53 Ca -0.03 -0.46 0.00 0.00 -0.60 0.00 0.00 54.58 53.49 2kh2 n ASN 53 Cb 0.36 -0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.60 2kh2 n ASN 53 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2kh2 n ASP 54 N -1.05 1.29 -4.57 1.20 5.75 -1.26 -4.99 116.55 112.91 2kh2 n ASP 54 Ca 0.11 0.00 -0.40 0.00 -0.01 0.00 0.00 54.79 54.49 2kh2 n ASP 54 Cb 0.31 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.32 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 -1.89 3.76 -0.10 0.11 1.02 -1.25 -2.84 119.74 118.55 2kh2 s LYS 55 Ca 0.00 -0.15 0.02 0.00 0.02 0.00 0.00 55.97 55.86 2kh2 s LYS 55 Cb 0.00 -3.75 0.01 0.00 -0.52 0.00 0.00 37.83 33.58 2kh2 s LYS 55 CO 0.00 -0.47 -0.14 0.42 -0.92 0.00 0.00 175.35 174.24 2kh2 s ILE 56 N 2.17 1.40 -0.13 2.17 -1.09 -0.82 -2.81 121.20 122.08 2kh2 s ILE 56 Ca 0.15 -0.59 -0.29 0.00 -2.23 0.00 0.00 60.65 57.69 2kh2 s ILE 56 Cb -0.16 -1.28 -0.02 0.00 -1.58 0.00 0.00 42.46 39.42 2kh2 s ILE 56 CO 0.11 0.42 1.19 -2.16 -1.23 0.00 0.00 174.94 173.28 2kh2 s PRO 57 N 0.95 4.29 0.13 2.79 0.04 -1.26 -0.54 135.00 141.39 2kh2 s PRO 57 Ca -0.08 1.60 0.01 0.00 0.04 0.00 0.00 61.00 62.58 2kh2 s PRO 57 Cb -0.15 -3.66 -0.04 0.00 0.04 0.00 0.00 34.50 30.68 2kh2 s PRO 57 CO -0.01 -0.58 -0.03 0.14 0.04 0.00 0.00 177.00 176.56 2kh2 s VAL 58 N 2.93 0.63 0.04 -0.36 -7.23 0.63 -2.98 120.40 114.06 2kh2 s VAL 58 Ca 0.53 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.75 2kh2 s VAL 58 Cb -0.21 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 2kh2 s VAL 58 CO 0.16 -0.69 0.16 0.00 -0.31 0.00 0.00 175.10 174.42 2kh2 s ALA 59 N -3.68 3.84 -0.30 1.32 0.00 -0.68 -0.71 121.76 121.56 2kh2 s ALA 59 Ca 0.17 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.29 2kh2 s ALA 59 Cb 0.06 -1.72 0.08 0.00 0.00 0.00 0.00 23.12 21.55 2kh2 s ALA 59 CO -0.01 0.78 0.00 -0.51 0.00 0.00 0.00 175.76 176.02 2kh2 s LEU 60 N -2.28 3.87 0.14 0.00 1.43 -1.26 -3.51 118.68 117.08 2kh2 s LEU 60 Ca 0.31 -1.78 0.04 0.00 -1.03 0.00 0.00 54.13 51.66 2kh2 s LEU 60 Cb -0.13 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 2kh2 s LEU 60 CO 0.23 -0.32 -0.10 -0.83 0.23 0.00 0.00 176.35 175.57 2kh2 s GLY 61 N 1.10 1.02 0.21 -3.19 0.00 -1.12 -0.82 107.32 104.51 2kh2 s GLY 61 Ca 0.04 -1.47 -0.30 0.00 0.00 0.00 0.00 44.72 42.99 2kh2 s GLY 61 CO -0.09 -1.57 1.04 1.08 0.00 0.00 0.00 173.10 173.57 2kh2 s LEU 62 N -3.14 4.55 0.32 0.66 1.02 0.27 -0.14 118.68 122.21 2kh2 s LEU 62 Ca 0.16 2.07 -0.29 0.00 0.02 0.00 0.00 54.13 56.08 2kh2 s LEU 62 Cb 0.03 -3.61 -0.11 0.00 0.02 0.00 0.00 46.19 42.52 2kh2 s LEU 62 CO -0.00 -0.09 1.57 -0.75 0.02 0.00 0.00 176.35 177.10 2kh2 s LYS 63 N -0.80 4.11 -1.63 1.70 2.20 -0.22 -2.40 119.74 122.69 2kh2 s LYS 63 Ca 0.46 2.59 0.00 0.00 -0.36 0.00 0.00 55.97 58.66 2kh2 s LYS 63 Cb -0.28 -3.00 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 2kh2 s LYS 63 CO 0.35 -0.62 0.00 -0.85 -0.36 0.00 0.00 175.35 173.88 2kh2 n GLU 64 N 1.65 -1.49 -4.37 4.03 0.28 -1.26 -4.93 120.64 114.54 2kh2 n GLU 64 Ca 0.06 0.91 -0.20 0.00 -0.16 0.00 0.00 57.16 57.78 2kh2 n GLU 64 Cb 0.38 -5.28 -0.09 0.00 1.43 0.00 0.00 31.44 27.87 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 -3.73 1.62 -0.25 3.44 1.02 -1.01 -5.05 119.74 115.78 2kh2 s LYS 65 Ca 0.00 -1.92 0.12 0.00 0.02 0.00 0.00 55.97 54.19 2kh2 s LYS 65 Cb 0.00 -0.29 0.52 0.00 -0.52 0.00 0.00 37.83 37.54 2kh2 s LYS 65 CO 0.00 -0.40 1.46 0.27 -0.92 0.00 0.00 175.35 175.76 2kh2 n ASN 66 N -0.88 3.14 -4.57 2.83 6.94 -1.26 -4.70 115.26 116.77 2kh2 n ASN 66 Ca -0.01 -3.43 -0.37 0.00 -0.02 0.00 0.00 54.58 50.75 2kh2 n ASN 66 Cb 0.65 -0.60 -0.11 0.00 -2.36 0.00 0.00 39.78 37.36 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 -3.06 3.91 0.10 -4.53 1.43 -1.26 -2.15 118.68 113.12 2kh2 s LEU 67 Ca 0.44 -0.03 0.08 0.00 -1.03 0.00 0.00 54.13 53.59 2kh2 s LEU 67 Cb 0.38 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 2kh2 s LEU 67 CO 0.04 -0.03 -0.21 -0.31 0.23 0.00 0.00 176.35 176.07 2kh2 s TYR 68 N 1.62 1.82 -0.06 0.29 1.51 -0.33 -0.56 117.35 121.65 2kh2 s TYR 68 Ca 0.07 -0.42 -0.30 0.00 -1.01 0.00 0.00 57.07 55.41 2kh2 s TYR 68 Cb -0.15 -1.00 -0.03 0.00 -0.11 0.00 0.00 41.96 40.66 2kh2 s TYR 68 CO 0.09 0.21 1.24 -0.51 -1.11 0.00 0.00 175.55 175.47 2kh2 s LEU 69 N -1.90 4.28 -0.01 -1.29 1.43 -0.00 -0.34 118.68 120.83 2kh2 s LEU 69 Ca 0.07 1.85 0.07 0.00 -1.03 0.00 0.00 54.13 55.09 2kh2 s LEU 69 Cb -0.10 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.55 2kh2 s LEU 69 CO 0.04 -0.62 -0.22 -0.55 0.23 0.00 0.00 176.35 175.23 2kh2 s SER 70 N 1.60 2.60 -0.34 2.29 0.15 0.49 -4.45 113.70 116.04 2kh2 s SER 70 Ca 0.57 -0.42 -0.09 0.00 0.70 0.00 0.00 55.95 56.72 2kh2 s SER 70 Cb -0.26 -0.28 0.02 0.00 -1.71 0.00 0.00 66.02 63.79 2kh2 s SER 70 CO 0.22 0.26 0.15 0.00 1.20 0.00 0.00 173.24 175.07 2kh2 s VAL 72 N 1.52 0.84 -0.26 0.00 -7.23 -0.54 -4.72 120.40 110.01 2kh2 s VAL 72 Ca 0.02 -2.01 -0.10 0.00 -1.81 0.00 0.00 61.98 58.08 2kh2 s VAL 72 Cb -0.18 -2.20 -0.05 0.00 0.56 0.00 0.00 36.38 34.51 2kh2 s VAL 72 CO 0.05 -0.42 0.17 -0.22 -0.31 0.00 0.00 175.10 174.36 2kh2 s LEU 73 N -3.22 3.98 -0.06 1.32 2.96 -1.26 0.65 118.68 123.04 2kh2 s LEU 73 Ca 0.25 0.01 0.01 0.00 -0.22 0.00 0.00 54.13 54.18 2kh2 s LEU 73 Cb 0.06 -2.09 0.02 0.00 0.50 0.00 0.00 46.19 44.68 2kh2 s LEU 73 CO 0.06 -0.01 -0.08 -0.54 -1.32 0.00 0.00 176.35 174.46 2kh2 s LYS 74 N 1.51 1.24 -1.23 1.98 1.02 0.29 -4.80 119.74 119.74 2kh2 s LYS 74 Ca 0.07 -0.23 -0.01 0.00 0.02 0.00 0.00 55.97 55.82 2kh2 s LYS 74 Cb -0.15 -1.16 0.00 0.00 -0.52 0.00 0.00 37.83 36.00 2kh2 s LYS 74 CO 0.08 -0.08 1.00 -3.47 -0.92 0.00 0.00 175.35 171.96 2kh2 n ASP 75 N 4.14 -2.56 -2.04 2.83 4.64 -1.26 -2.09 116.55 120.22 2kh2 n ASP 75 Ca -0.21 -0.63 -0.17 0.00 -1.38 0.00 0.00 54.79 52.39 2kh2 n ASP 75 Cb 0.51 -5.01 -0.04 0.00 -1.04 0.00 0.00 41.12 35.54 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 -4.91 -3.76 1.67 10.43 -1.26 -4.96 116.55 110.65 2kh2 n ASP 76 Ca -0.25 0.22 -0.13 0.00 2.57 0.00 0.00 54.79 57.20 2kh2 n ASP 76 Cb 0.65 -4.23 -0.14 0.00 1.84 0.00 0.00 41.12 39.25 2kh2 n ASP 76 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 2kh2 s LYS 77 N -4.39 0.14 -0.01 -1.24 2.47 -0.89 -5.12 119.74 110.70 2kh2 s LYS 77 Ca 0.00 0.36 -0.30 0.00 -1.56 0.00 0.00 55.97 54.47 2kh2 s LYS 77 Cb 0.00 -0.10 -0.07 0.00 -1.46 0.00 0.00 37.83 36.20 2kh2 s LYS 77 CO 0.00 -0.13 1.69 -2.14 0.16 0.00 0.00 175.35 174.93 2kh2 s PRO 78 N 0.92 4.18 0.14 4.03 0.02 -1.26 -0.55 135.00 142.48 2kh2 s PRO 78 Ca -0.07 2.27 0.08 0.00 0.02 0.00 0.00 61.00 63.30 2kh2 s PRO 78 Cb -0.09 -3.91 -0.04 0.00 0.02 0.00 0.00 34.50 30.49 2kh2 s PRO 78 CO -0.05 -0.83 -0.18 0.99 -0.33 0.00 0.00 177.00 176.61 2kh2 s THR 79 N 3.71 1.69 0.03 0.99 2.01 0.21 -4.72 115.64 119.56 2kh2 s THR 79 Ca 0.75 -1.78 0.00 0.00 0.31 0.00 0.00 61.69 60.98 2kh2 s THR 79 Cb -0.36 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 2kh2 s THR 79 CO 0.32 -0.27 0.12 -0.22 -0.69 0.00 0.00 174.62 173.88 2kh2 s LEU 80 N -2.42 4.04 0.36 4.42 2.96 -1.26 -1.46 118.68 125.31 2kh2 s LEU 80 Ca 0.12 0.16 -0.17 0.00 -0.22 0.00 0.00 54.13 54.01 2kh2 s LEU 80 Cb -0.07 -2.53 0.04 0.00 0.50 0.00 0.00 46.19 44.14 2kh2 s LEU 80 CO 0.05 0.22 0.77 0.00 -1.32 0.00 0.00 176.35 176.07 2kh2 s GLN 81 N -2.11 2.11 -0.26 1.98 -2.07 -0.49 -4.96 119.66 113.85 2kh2 s GLN 81 Ca 0.28 -1.32 -0.07 0.00 -1.82 0.00 0.00 55.36 52.43 2kh2 s GLN 81 Cb -0.12 0.62 -0.01 0.00 -1.09 0.00 0.00 33.01 32.40 2kh2 s GLN 81 CO 0.20 -0.98 0.06 -0.51 -1.32 0.00 0.00 175.29 172.74 2kh2 s LEU 82 N -3.03 3.53 -0.04 2.60 2.01 -1.26 -0.38 118.68 122.10 2kh2 s LEU 82 Ca 0.14 -0.39 -0.00 0.00 0.01 0.00 0.00 54.13 53.89 2kh2 s LEU 82 Cb -0.05 -1.89 -0.04 0.00 0.01 0.00 0.00 46.19 44.22 2kh2 s LEU 82 CO 0.10 -0.09 0.02 -1.61 1.01 0.00 0.00 176.35 175.78 2kh2 s GLU 83 N 1.57 2.93 -0.36 1.70 2.02 0.53 -4.89 118.70 122.20 2kh2 s GLU 83 Ca 0.05 -0.49 -0.14 0.00 0.02 0.00 0.00 54.97 54.42 2kh2 s GLU 83 Cb -0.16 -2.77 -0.01 0.00 0.10 0.00 0.00 34.13 31.30 2kh2 s GLU 83 CO 0.03 0.67 0.27 -1.12 0.02 0.00 0.00 175.26 175.12 2kh2 s SER 84 N -1.28 6.09 0.38 -0.19 0.01 -1.26 -1.18 113.70 116.26 2kh2 s SER 84 Ca 0.17 -0.53 0.08 0.00 1.31 0.00 0.00 55.95 56.98 2kh2 s SER 84 Cb -0.12 -2.15 -0.06 0.00 0.21 0.00 0.00 66.02 63.91 2kh2 s SER 84 CO 0.07 -0.30 0.09 0.68 0.41 0.00 0.00 173.24 174.19 2kh2 s VAL 85 N 1.74 2.44 -0.12 3.43 -7.23 -0.91 -5.05 120.40 114.69 2kh2 s VAL 85 Ca 0.06 -1.84 -0.36 0.00 -1.81 0.00 0.00 61.98 58.04 2kh2 s VAL 85 Cb -0.18 -2.92 -0.13 0.00 0.56 0.00 0.00 36.38 33.71 2kh2 s VAL 85 CO 0.11 -0.09 1.83 -0.67 -0.31 0.00 0.00 175.10 175.97 2kh2 n ASP 86 N -1.09 3.15 0.11 4.85 4.64 -1.26 -4.85 116.55 122.09 2kh2 n ASP 86 Ca -0.03 1.00 0.11 0.00 -1.38 0.00 0.00 54.79 54.49 2kh2 n ASP 86 Cb 0.64 -1.31 0.46 0.00 -1.04 0.00 0.00 41.12 39.86 2kh2 n ASP 86 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 2kh2 n PRO 87 N 6.14 0.16 -0.01 -0.67 -0.04 -1.26 -1.51 135.00 137.81 2kh2 n PRO 87 Ca 0.23 0.40 0.09 0.00 -0.04 0.00 0.00 63.50 64.18 2kh2 n PRO 87 Cb 0.25 -1.81 -0.13 0.00 -0.04 0.00 0.00 33.50 31.78 2kh2 n PRO 87 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2kh2 n LYS 88 N -2.11 0.75 -0.01 0.54 2.85 -1.26 -4.34 118.16 114.58 2kh2 n LYS 88 Ca 0.02 -0.12 0.08 0.00 -1.05 0.00 0.00 58.31 57.25 2kh2 n LYS 88 Cb 0.21 -1.40 0.07 0.00 -0.65 0.00 0.00 35.03 33.27 2kh2 n LYS 88 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2kh2 n ASN 89 N -1.91 2.37 -4.02 -5.58 3.02 -1.08 -4.96 115.26 103.11 2kh2 n ASN 89 Ca -0.01 -1.68 -0.15 0.00 -0.03 0.00 0.00 54.58 52.70 2kh2 n ASN 89 Cb 0.41 -0.01 -0.13 0.00 -0.61 0.00 0.00 39.78 39.44 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 -1.32 0.63 0.68 3.10 1.51 -0.57 -4.48 117.35 116.90 2kh2 s TYR 90 Ca 0.19 -0.28 -0.09 0.00 -1.01 0.00 0.00 57.07 55.89 2kh2 s TYR 90 Cb 0.14 -0.39 0.15 0.00 -0.11 0.00 0.00 41.96 41.75 2kh2 s TYR 90 CO 0.20 -0.04 0.93 -0.35 -1.11 0.00 0.00 175.55 175.18 2kh2 n PRO 91 N 2.27 -0.65 -3.93 -1.71 -0.04 -1.26 -4.70 135.00 124.99 2kh2 n PRO 91 Ca -0.17 -1.72 -0.10 0.00 -0.04 0.00 0.00 63.50 61.47 2kh2 n PRO 91 Cb 0.56 -0.87 -0.06 0.00 -0.04 0.00 0.00 33.50 33.10 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 -4.96 1.28 0.00 0.54 -2.85 -1.26 -5.07 119.74 107.42 2kh2 s LYS 92 Ca 0.55 -1.14 -0.24 0.00 -1.00 0.00 0.00 55.97 54.14 2kh2 s LYS 92 Cb -0.02 0.42 -0.18 0.00 -2.06 0.00 0.00 37.83 35.99 2kh2 s LYS 92 CO 0.38 -0.50 1.32 -0.22 0.10 0.00 0.00 175.35 176.43 2kh2 h LYS 93 N 2.41 0.09 -4.28 1.78 3.64 -1.97 -3.37 116.57 114.88 2kh2 h LYS 93 Ca -0.30 -0.04 -0.75 0.00 -1.27 0.00 0.00 60.65 58.28 2kh2 h LYS 93 Cb 1.24 -0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 32.83 2kh2 h LYS 93 CO 0.43 0.52 0.40 0.21 -2.27 0.00 0.00 179.45 178.74 2kh2 s LYS 94 N -4.41 3.63 0.62 1.90 2.47 -1.26 -3.41 119.74 119.27 2kh2 s LYS 94 Ca -0.15 -2.23 -0.04 0.00 -1.56 0.00 0.00 55.97 51.99 2kh2 s LYS 94 Cb 0.03 -4.62 0.03 0.00 -1.46 0.00 0.00 37.83 31.81 2kh2 s LYS 94 CO 0.69 -1.47 0.90 -1.64 0.16 0.00 0.00 175.35 173.99 2kh2 s MET 95 N 1.07 2.56 0.45 4.03 -1.94 -1.26 -5.04 119.30 119.16 2kh2 s MET 95 Ca 0.24 -0.31 -0.24 0.00 -1.71 0.00 0.00 55.69 53.67 2kh2 s MET 95 Cb -0.08 -2.30 -0.08 0.00 2.01 0.00 0.00 34.83 34.39 2kh2 s MET 95 CO -0.09 -0.89 1.24 -1.21 -0.01 0.00 0.00 175.02 174.06 2kh2 s GLU 96 N -5.01 3.78 0.62 2.03 8.01 -1.26 -4.90 118.70 121.97 2kh2 s GLU 96 Ca 0.57 1.97 0.34 0.00 0.01 0.00 0.00 54.97 57.85 2kh2 s GLU 96 Cb -0.11 -2.54 1.93 0.00 -4.31 0.00 0.00 34.13 29.11 2kh2 s GLU 96 CO 0.43 -0.59 2.20 -0.22 0.01 0.00 0.00 175.26 177.09 2kh2 h LYS 97 N 2.25 0.00 0.00 1.61 3.64 -1.96 0.98 116.57 123.09 2kh2 h LYS 97 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2kh2 h LYS 97 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2kh2 h LYS 97 CO 0.61 0.00 0.00 2.89 -2.27 0.00 0.00 179.45 180.68 2kh2 n ARG 98 N -3.50 0.07 -0.05 1.90 1.85 -1.26 -2.41 116.66 113.26 2kh2 n ARG 98 Ca -0.01 0.08 0.04 0.00 -1.00 0.00 0.00 57.85 56.96 2kh2 n ARG 98 Cb 0.19 -1.50 0.06 0.00 -1.05 0.00 0.00 32.46 30.17 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 -1.46 0.13 -3.54 2.89 3.72 0.32 -0.54 117.46 118.99 2kh2 n PHE 99 Ca 0.07 -0.19 -0.39 0.00 -0.05 0.00 0.00 57.45 56.89 2kh2 n PHE 99 Cb 0.26 -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 -0.81 5.28 0.02 -4.37 1.01 -1.01 -4.05 120.40 116.47 2kh2 s VAL 100 Ca 0.13 0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.35 2kh2 s VAL 100 Cb 0.08 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 2kh2 s VAL 100 CO 0.11 0.20 -0.07 -0.36 0.00 0.00 0.00 175.10 174.97 2kh2 s PHE 101 N 1.82 2.86 -0.37 5.22 0.40 0.12 -2.85 117.98 125.18 2kh2 s PHE 101 Ca 0.09 -0.06 -0.13 0.00 -0.60 0.00 0.00 56.93 56.22 2kh2 s PHE 101 Cb -0.16 -1.58 0.01 0.00 0.51 0.00 0.00 43.02 41.80 2kh2 s PHE 101 CO 0.11 0.38 0.25 1.21 0.70 0.00 0.00 175.22 177.86 2kh2 s ASN 102 N -1.54 5.95 -0.63 1.36 3.84 0.18 -0.27 114.94 123.82 2kh2 s ASN 102 Ca 0.18 -0.76 -0.28 0.00 0.21 0.00 0.00 52.86 52.22 2kh2 s ASN 102 Cb -0.11 -2.10 0.02 0.00 -0.55 0.00 0.00 41.25 38.51 2kh2 s ASN 102 CO 0.09 -0.35 1.32 -0.75 -2.79 0.00 0.00 177.10 174.61 2kh2 s LYS 103 N 1.65 3.30 0.18 0.43 2.20 0.29 -1.19 119.74 126.61 2kh2 s LYS 103 Ca 0.05 0.16 -0.26 0.00 -0.36 0.00 0.00 55.97 55.55 2kh2 s LYS 103 Cb -0.18 -4.12 -0.08 0.00 -1.51 0.00 0.00 37.83 31.93 2kh2 s LYS 103 CO 0.09 -1.97 0.82 0.42 -0.36 0.00 0.00 175.35 174.35 2kh2 s ILE 104 N 5.74 4.31 -0.52 5.43 1.01 0.14 -1.95 121.20 135.36 2kh2 s ILE 104 Ca 0.44 1.80 0.07 0.00 0.00 0.00 0.00 60.65 62.95 2kh2 s ILE 104 Cb -0.09 -4.18 0.34 0.00 0.01 0.00 0.00 42.46 38.53 2kh2 s ILE 104 CO 0.21 0.51 0.87 1.21 0.00 0.00 0.00 174.94 177.75 2kh2 n GLU 105 N 1.63 2.55 0.20 2.79 2.13 -1.13 -1.52 120.64 127.30 2kh2 n GLU 105 Ca -0.05 -4.43 -0.17 0.00 0.66 0.00 0.00 57.16 53.17 2kh2 n GLU 105 Cb 0.48 -2.08 -0.10 0.00 0.27 0.00 0.00 31.44 30.02 2kh2 n GLU 105 CO 0.00 0.00 0.00 -0.84 -0.41 0.00 0.00 177.13 175.88 2kh2 h ILE 106 N 2.44 0.02 0.00 6.31 3.07 -1.91 -3.47 117.51 123.97 2kh2 h ILE 106 Ca 0.12 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.53 2kh2 h ILE 106 Cb 0.64 0.02 0.00 0.00 -0.27 0.00 0.00 36.82 37.21 2kh2 h ILE 106 CO 0.73 0.00 0.00 -0.46 -1.05 0.00 0.00 178.15 177.37 2kh2 n ASN 107 N -5.53 0.00 0.05 2.16 0.23 -1.26 -5.00 115.26 105.91 2kh2 n ASN 107 Ca -0.10 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.06 2kh2 n ASN 107 Cb 0.44 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.16 2kh2 n ASN 107 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2kh2 n ASN 108 N 0.00 0.63 -4.79 0.53 3.02 -1.26 -4.89 115.26 108.50 2kh2 n ASN 108 Ca 0.00 0.02 -0.29 0.00 -0.03 0.00 0.00 54.58 54.28 2kh2 n ASN 108 Cb 0.00 0.72 -0.06 0.00 -0.61 0.00 0.00 39.78 39.83 2kh2 n ASN 108 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2kh2 s LYS 109 N -3.27 2.90 -0.05 3.52 -0.14 -1.26 -5.03 119.74 116.40 2kh2 s LYS 109 Ca 0.02 -0.75 0.03 0.00 -1.36 0.00 0.00 55.97 53.90 2kh2 s LYS 109 Cb 0.13 -2.70 -0.03 0.00 -1.68 0.00 0.00 37.83 33.55 2kh2 s LYS 109 CO 0.80 0.54 -0.12 -0.51 -0.76 0.00 0.00 175.35 175.29 2kh2 s LEU 110 N -2.66 2.88 0.21 3.17 1.43 -0.77 -3.97 118.68 118.98 2kh2 s LEU 110 Ca 0.30 -0.15 0.11 0.00 -1.03 0.00 0.00 54.13 53.36 2kh2 s LEU 110 Cb -0.11 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 2kh2 s LEU 110 CO 0.23 0.34 -0.19 -1.61 0.23 0.00 0.00 176.35 175.35 2kh2 s GLU 111 N -0.82 1.72 -0.26 1.70 2.02 -0.57 0.34 118.70 122.82 2kh2 s GLU 111 Ca 0.12 -1.50 0.03 0.00 0.02 0.00 0.00 54.97 53.64 2kh2 s GLU 111 Cb -0.11 -1.93 0.06 0.00 0.10 0.00 0.00 34.13 32.26 2kh2 s GLU 111 CO 0.01 0.39 -0.10 -0.06 0.02 0.00 0.00 175.26 175.53 2kh2 s PHE 112 N -1.86 3.28 0.05 1.61 0.08 -1.26 0.28 117.98 120.15 2kh2 s PHE 112 Ca 0.24 -2.31 -0.01 0.00 0.12 0.00 0.00 56.93 54.97 2kh2 s PHE 112 Cb -0.08 -1.97 -0.04 0.00 -0.57 0.00 0.00 43.02 40.37 2kh2 s PHE 112 CO 0.13 -0.88 0.21 -2.00 -0.10 0.00 0.00 175.22 172.58 2kh2 s GLU 113 N 1.11 3.45 -0.16 0.44 2.12 -0.33 -1.25 118.70 124.07 2kh2 s GLU 113 Ca -0.08 -0.39 -0.25 0.00 0.36 0.00 0.00 54.97 54.61 2kh2 s GLU 113 Cb -0.20 -3.05 -0.02 0.00 0.26 0.00 0.00 34.13 31.13 2kh2 s GLU 113 CO -0.05 0.62 0.80 0.45 -0.54 0.00 0.00 175.26 176.55 2kh2 s SER 114 N -2.36 6.93 0.29 -1.70 0.15 0.16 0.47 113.70 117.65 2kh2 s SER 114 Ca 0.33 1.14 0.04 0.00 0.70 0.00 0.00 55.95 58.16 2kh2 s SER 114 Cb -0.13 -2.44 0.46 0.00 -1.71 0.00 0.00 66.02 62.20 2kh2 s SER 114 CO 0.26 -0.36 1.75 0.00 1.20 0.00 0.00 173.24 176.08 2kh2 h ALA 115 N 7.30 1.15 -0.47 5.45 0.00 -1.78 -2.87 119.26 128.04 2kh2 h ALA 115 Ca -0.31 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.15 2kh2 h ALA 115 Cb 1.14 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2kh2 h ALA 115 CO 0.82 0.54 -0.21 0.37 0.00 0.00 0.00 179.25 180.77 2kh2 h GLN 116 N 0.39 0.96 -3.79 0.00 5.75 -1.79 -3.39 115.11 113.24 2kh2 h GLN 116 Ca 0.06 -0.40 -0.63 0.00 -0.15 0.00 0.00 58.65 57.53 2kh2 h GLN 116 Cb 0.64 -0.04 -0.40 0.00 1.07 0.00 0.00 27.48 28.75 2kh2 h GLN 116 CO 0.05 1.07 -0.70 -0.06 -2.65 0.00 0.00 178.83 176.53 2kh2 s PHE 117 N -4.67 2.91 0.48 3.99 0.08 -1.09 -5.11 117.98 114.57 2kh2 s PHE 117 Ca -0.11 -2.74 -0.24 0.00 0.12 0.00 0.00 56.93 53.96 2kh2 s PHE 117 Cb 0.12 -2.50 -0.07 0.00 -0.57 0.00 0.00 43.02 40.00 2kh2 s PHE 117 CO 0.86 -0.84 1.39 -2.30 -0.10 0.00 0.00 175.22 174.23 2kh2 n PRO 118 N 3.88 2.04 -0.93 0.24 -0.02 -1.21 -2.33 135.00 136.67 2kh2 n PRO 118 Ca 0.04 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2kh2 n PRO 118 Cb 0.38 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 2kh2 n PRO 118 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2kh2 n ASN 119 N -0.40 -0.76 -4.35 2.55 5.15 -1.26 -4.98 115.26 111.20 2kh2 n ASN 119 Ca 0.07 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.66 2kh2 n ASN 119 Cb 0.42 -0.56 -0.12 0.00 -0.53 0.00 0.00 39.78 39.00 2kh2 n ASN 119 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 2kh2 s TRP 120 N -3.12 3.22 0.25 1.20 0.52 -0.98 -4.25 118.94 115.78 2kh2 s TRP 120 Ca 0.00 -1.04 0.10 0.00 0.02 0.00 0.00 56.10 55.17 2kh2 s TRP 120 Cb 0.00 -2.35 -0.04 0.00 -1.15 0.00 0.00 33.47 29.92 2kh2 s TRP 120 CO 0.00 -0.63 -0.03 0.71 0.02 0.00 0.00 176.95 177.01 2kh2 s TYR 121 N 1.51 2.66 -0.12 -1.98 1.51 0.20 -0.66 117.35 120.46 2kh2 s TYR 121 Ca 0.01 -0.23 -0.29 0.00 -1.01 0.00 0.00 57.07 55.55 2kh2 s TYR 121 Cb -0.19 -1.19 -0.04 0.00 -0.11 0.00 0.00 41.96 40.43 2kh2 s TYR 121 CO 0.05 0.61 1.52 0.42 -1.11 0.00 0.00 175.55 177.04 2kh2 s ILE 122 N -2.24 3.84 0.22 2.71 1.01 -0.38 0.11 121.20 126.46 2kh2 s ILE 122 Ca 0.30 1.00 0.07 0.00 0.00 0.00 0.00 60.65 62.02 2kh2 s ILE 122 Cb -0.07 -3.68 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 2kh2 s ILE 122 CO 0.19 -0.13 -0.11 -0.44 0.00 0.00 0.00 174.94 174.45 2kh2 s SER 123 N 3.03 2.53 -0.06 3.58 0.01 0.56 -4.41 113.70 118.93 2kh2 s SER 123 Ca 0.67 -1.07 -0.07 0.00 1.31 0.00 0.00 55.95 56.79 2kh2 s SER 123 Cb -0.28 -0.13 0.02 0.00 0.21 0.00 0.00 66.02 65.84 2kh2 s SER 123 CO 0.24 -0.24 0.18 0.42 0.41 0.00 0.00 173.24 174.26 2kh2 s THR 124 N -3.03 0.02 0.86 1.44 -4.23 -0.58 -2.36 115.64 107.76 2kh2 s THR 124 Ca 0.24 -0.14 -0.13 0.00 -1.18 0.00 0.00 61.69 60.48 2kh2 s THR 124 Cb 0.01 -0.31 0.11 0.00 1.34 0.00 0.00 72.50 73.65 2kh2 s THR 124 CO 0.08 -0.08 1.18 -0.44 -0.54 0.00 0.00 174.62 174.82 2kh2 s SER 125 N -0.22 4.01 0.37 3.99 0.01 -1.26 -0.05 113.70 120.55 2kh2 s SER 125 Ca -0.03 0.78 0.18 0.00 1.31 0.00 0.00 55.95 58.20 2kh2 s SER 125 Cb -0.03 -1.25 0.62 0.00 0.21 0.00 0.00 66.02 65.57 2kh2 s SER 125 CO 0.01 -2.22 1.70 1.56 0.41 0.00 0.00 173.24 174.70 2kh2 h GLN 126 N -1.27 0.00 -6.94 12.44 1.08 -1.98 -3.45 115.11 114.99 2kh2 h GLN 126 Ca -0.47 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.20 2kh2 h GLN 126 Cb 1.32 0.00 0.08 0.00 -0.05 0.00 0.00 27.48 28.83 2kh2 h GLN 126 CO 0.62 0.39 0.64 0.00 -0.95 0.00 0.00 178.83 179.52 2kh2 s ALA 127 N -3.54 3.33 0.44 3.87 0.00 -1.26 -5.00 121.76 119.60 2kh2 s ALA 127 Ca 0.00 1.28 -0.21 0.00 0.00 0.00 0.00 51.96 53.03 2kh2 s ALA 127 Cb 0.11 -3.50 -0.10 0.00 0.00 0.00 0.00 23.12 19.63 2kh2 s ALA 127 CO 0.69 -0.83 0.99 -2.00 0.00 0.00 0.00 175.76 174.61 2kh2 s GLU 128 N -2.16 4.10 -0.95 0.00 2.56 -1.26 -3.81 118.70 117.19 2kh2 s GLU 128 Ca 0.55 1.25 0.00 0.00 0.00 0.00 0.00 54.97 56.77 2kh2 s GLU 128 Cb -0.39 -2.22 0.00 0.00 2.00 0.00 0.00 34.13 33.51 2kh2 s GLU 128 CO 0.51 -0.15 0.00 -1.71 -0.56 0.00 0.00 175.26 173.35 2kh2 n ASN 129 N -0.62 -3.64 -4.83 -1.70 5.15 -0.97 -5.01 115.26 103.64 2kh2 n ASN 129 Ca 0.07 0.03 -0.38 0.00 -0.60 0.00 0.00 54.58 53.71 2kh2 n ASN 129 Cb 0.53 -2.77 -0.06 0.00 -0.53 0.00 0.00 39.78 36.95 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 -4.29 3.87 1.05 1.20 -1.94 -1.16 -4.79 119.30 113.24 2kh2 s MET 130 Ca 0.00 0.28 -0.14 0.00 -1.71 0.00 0.00 55.69 54.13 2kh2 s MET 130 Cb 0.00 -3.24 0.22 0.00 2.01 0.00 0.00 34.83 33.82 2kh2 s MET 130 CO 0.00 0.65 1.09 -2.14 -0.01 0.00 0.00 175.02 174.61 2kh2 s PRO 131 N -0.88 -0.01 -0.16 2.03 0.02 -1.26 -0.26 135.00 134.47 2kh2 s PRO 131 Ca 0.22 0.40 -0.18 0.00 0.02 0.00 0.00 61.00 61.46 2kh2 s PRO 131 Cb -0.15 -1.70 -0.04 0.00 0.02 0.00 0.00 34.50 32.63 2kh2 s PRO 131 CO 0.11 -3.00 0.49 0.08 -0.33 0.00 0.00 177.00 174.34 2kh2 s VAL 132 N -2.95 5.15 0.26 3.83 1.01 -1.06 -4.73 120.40 121.91 2kh2 s VAL 132 Ca 0.67 0.94 0.01 0.00 0.00 0.00 0.00 61.98 63.60 2kh2 s VAL 132 Cb -0.17 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 2kh2 s VAL 132 CO 0.58 0.25 0.10 0.72 0.00 0.00 0.00 175.10 176.75 2kh2 s PHE 133 N 1.16 1.53 -0.21 5.22 -0.12 -1.00 -4.80 117.98 119.76 2kh2 s PHE 133 Ca 0.25 -1.21 -0.14 0.00 -0.05 0.00 0.00 56.93 55.78 2kh2 s PHE 133 Cb -0.15 -0.88 -0.04 0.00 -0.63 0.00 0.00 43.02 41.31 2kh2 s PHE 133 CO 0.10 -0.37 0.30 -1.17 -0.05 0.00 0.00 175.22 174.03 2kh2 s LEU 134 N -3.32 4.15 -0.08 -1.99 2.96 -1.26 -0.32 118.68 118.82 2kh2 s LEU 134 Ca 0.38 0.37 0.02 0.00 -0.22 0.00 0.00 54.13 54.67 2kh2 s LEU 134 Cb 0.07 -2.35 -0.02 0.00 0.50 0.00 0.00 46.19 44.39 2kh2 s LEU 134 CO 0.14 -0.01 -0.12 -0.83 -1.32 0.00 0.00 176.35 174.21 2kh2 s GLY 135 N 0.99 1.57 0.00 7.98 0.00 0.12 -4.87 107.32 113.11 2kh2 s GLY 135 Ca 0.15 -0.93 0.23 0.00 0.00 0.00 0.00 44.72 44.16 2kh2 s GLY 135 CO 0.06 -0.57 1.52 0.61 0.00 0.00 0.00 173.10 174.72 2kh2 n GLY 136 N 2.66 2.37 3.02 0.20 0.00 -1.26 -0.63 105.19 111.55 2kh2 n GLY 136 Ca -0.18 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 2kh2 n GLY 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kh2 s THR 137 N -1.09 2.03 0.10 2.61 -4.23 -1.26 -4.84 115.64 108.96 2kh2 s THR 137 Ca 0.48 -1.77 -0.17 0.00 -1.18 0.00 0.00 61.69 59.04 2kh2 s THR 137 Cb 0.25 -2.29 -0.07 0.00 1.34 0.00 0.00 72.50 71.73 2kh2 s THR 137 CO 0.33 -0.24 0.56 -0.75 -0.54 0.00 0.00 174.62 173.98 2kh2 s LYS 138 N 1.11 4.11 0.00 3.99 2.20 -1.26 -3.94 119.74 125.95 2kh2 s LYS 138 Ca -0.02 0.64 0.00 0.00 -0.36 0.00 0.00 55.97 56.24 2kh2 s LYS 138 Cb -0.19 -3.12 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 2kh2 s LYS 138 CO -0.07 0.58 0.00 0.41 -0.36 0.00 0.00 175.35 175.91 2kh2 n GLY 139 N 1.37 0.49 0.00 5.54 0.00 -1.26 -5.05 105.19 106.29 2kh2 n GLY 139 Ca -0.08 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.86 1.37 0.16 -0.02 0.00 -1.25 -5.00 105.19 97.60 2kh2 n GLY 140 Ca 0.00 -1.95 -0.05 0.00 0.00 0.00 0.00 46.02 44.02 2kh2 n GLY 140 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2kh2 h GLN 141 N 0.00 0.21 -6.67 1.61 7.50 -1.96 -3.44 115.11 112.35 2kh2 h GLN 141 Ca 0.00 -0.15 -0.51 0.00 0.50 0.00 0.00 58.65 58.49 2kh2 h GLN 141 Cb 0.00 0.02 -0.00 0.00 0.05 0.00 0.00 27.48 27.55 2kh2 h GLN 141 CO 0.00 0.77 0.43 -0.51 -1.50 0.00 0.00 178.83 178.01 2kh2 s ASP 142 N -6.89 7.39 -0.10 1.46 1.01 -1.26 -4.54 116.67 113.73 2kh2 s ASP 142 Ca -0.04 2.02 -0.30 0.00 0.71 0.00 0.00 52.55 54.95 2kh2 s ASP 142 Cb 0.12 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.42 2kh2 s ASP 142 CO 0.80 -0.10 1.26 -0.63 0.21 0.00 0.00 175.17 176.70 2kh2 s ILE 143 N -0.49 4.21 -0.07 0.77 1.09 0.93 -4.75 121.20 122.89 2kh2 s ILE 143 Ca 0.47 1.50 0.12 0.00 -1.10 0.00 0.00 60.65 61.64 2kh2 s ILE 143 Cb -0.28 -3.97 -0.18 0.00 -1.06 0.00 0.00 42.46 36.98 2kh2 s ILE 143 CO 0.34 -0.07 0.16 0.35 -0.10 0.00 0.00 174.94 175.63 2kh2 n THR 144 N 5.00 0.42 -2.92 2.92 -2.24 -1.26 -1.52 114.28 114.66 2kh2 n THR 144 Ca 0.13 -0.41 -0.37 0.00 -2.27 0.00 0.00 64.05 61.13 2kh2 n THR 144 Cb 0.45 -0.24 -0.06 0.00 -2.10 0.00 0.00 70.33 68.38 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 -4.00 7.23 0.24 3.42 -4.77 -1.26 -4.29 116.67 113.23 2kh2 s ASP 145 Ca -0.05 1.66 0.01 0.00 -3.30 0.00 0.00 52.55 50.86 2kh2 s ASP 145 Cb 0.06 -2.51 -0.05 0.00 -1.09 0.00 0.00 42.92 39.33 2kh2 s ASP 145 CO 0.52 -0.01 0.07 -0.36 0.70 0.00 0.00 175.17 176.10 2kh2 s PHE 146 N -1.54 1.45 -0.05 2.11 0.08 0.15 -3.90 117.98 116.27 2kh2 s PHE 146 Ca 0.46 -1.15 0.06 0.00 0.12 0.00 0.00 56.93 56.43 2kh2 s PHE 146 Cb -0.18 -0.84 -0.01 0.00 -0.57 0.00 0.00 43.02 41.42 2kh2 s PHE 146 CO 0.23 -0.31 -0.24 0.99 -0.10 0.00 0.00 175.22 175.78 2kh2 s THR 147 N -3.74 2.00 -0.60 0.64 2.01 0.16 -1.84 115.64 114.27 2kh2 s THR 147 Ca 0.34 -1.04 -0.02 0.00 0.31 0.00 0.00 61.69 61.28 2kh2 s THR 147 Cb 0.07 -1.69 0.15 0.00 0.01 0.00 0.00 72.50 71.05 2kh2 s THR 147 CO 0.11 0.56 0.41 -0.32 -0.69 0.00 0.00 174.62 174.69 2kh2 s MET 148 N -0.17 2.48 -0.13 4.92 1.75 -1.26 -1.94 119.30 124.96 2kh2 s MET 148 Ca -0.03 -2.47 -0.21 0.00 -1.25 0.00 0.00 55.69 51.73 2kh2 s MET 148 Cb -0.13 -3.70 -0.03 0.00 2.84 0.00 0.00 34.83 33.81 2kh2 s MET 148 CO 0.03 -1.16 0.63 -0.65 -0.65 0.00 0.00 175.02 173.22 2kh2 s GLN 149 N 0.04 4.33 0.01 4.11 1.11 -0.72 -4.86 119.66 123.68 2kh2 s GLN 149 Ca 0.16 0.69 -0.30 0.00 0.01 0.00 0.00 55.36 55.92 2kh2 s GLN 149 Cb -0.21 -3.50 -0.05 0.00 -1.01 0.00 0.00 33.01 28.25 2kh2 s GLN 149 CO -0.03 -0.04 1.22 -0.06 0.01 0.00 0.00 175.29 176.39 2kh2 s PHE 150 N 1.22 3.28 0.47 0.91 0.40 -1.26 -0.68 117.98 122.32 2kh2 s PHE 150 Ca 0.32 1.21 0.08 0.00 -0.60 0.00 0.00 56.93 57.94 2kh2 s PHE 150 Cb -0.16 -3.45 0.02 0.00 0.51 0.00 0.00 43.02 39.94 2kh2 s PHE 150 CO 0.13 -1.42 0.52 0.14 0.70 0.00 0.00 175.22 175.29 2kh2 s VAL 151 N 1.64 2.46 -0.78 -0.44 -7.23 -1.05 -4.95 120.40 110.05 2kh2 s VAL 151 Ca 0.58 -1.21 -0.07 0.00 -1.81 0.00 0.00 61.98 59.48 2kh2 s VAL 151 Cb -0.28 -2.66 -0.10 0.00 0.56 0.00 0.00 36.38 33.90 2kh2 s VAL 151 CO 0.26 0.00 3.09 -1.54 -0.31 0.00 0.00 175.10 176.60 2kh2 n SER 152 N -1.81 6.97 0.00 4.85 3.41 -1.26 -4.86 113.62 120.92 2kh2 n SER 152 Ca 0.07 -2.74 0.00 0.00 -0.26 0.00 0.00 58.87 55.94 2kh2 n SER 152 Cb 0.61 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.14 2kh2 n SER 152 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68