#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kh2 n PRO 2 N 0.00 0.00 -3.25 0.00 -0.02 -1.26 -4.59 135.00 125.88 2kh2 n PRO 2 Ca 0.00 0.31 -0.41 0.00 -2.02 0.00 0.00 63.50 61.37 2kh2 n PRO 2 Cb 0.00 -1.19 -0.08 0.00 -0.02 0.00 0.00 33.50 32.21 2kh2 n PRO 2 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2kh2 s VAL 3 N -1.86 5.02 -0.00 -1.45 0.11 -1.26 -4.97 120.40 115.99 2kh2 s VAL 3 Ca 0.00 0.26 -0.27 0.00 -2.93 0.00 0.00 61.98 59.04 2kh2 s VAL 3 Cb 0.00 -3.97 -0.04 0.00 -1.53 0.00 0.00 36.38 30.84 2kh2 s VAL 3 CO 0.00 -0.24 0.85 -0.13 -3.33 0.00 0.00 175.10 172.25 2kh2 s ARG 4 N 2.37 4.53 0.03 1.54 0.52 -1.26 -4.97 118.95 121.71 2kh2 s ARG 4 Ca 0.18 1.19 -0.13 0.00 -0.52 0.00 0.00 55.73 56.46 2kh2 s ARG 4 Cb -0.16 -3.43 0.02 0.00 0.52 0.00 0.00 34.95 31.90 2kh2 s ARG 4 CO 0.13 0.07 0.27 -1.12 0.02 0.00 0.00 175.30 174.68 2kh2 s SER 5 N 0.66 -0.09 0.11 0.23 0.01 -1.26 0.16 113.70 113.51 2kh2 s SER 5 Ca 0.45 -0.20 0.01 0.00 1.31 0.00 0.00 55.95 57.52 2kh2 s SER 5 Cb -0.20 0.33 -0.04 0.00 0.21 0.00 0.00 66.02 66.32 2kh2 s SER 5 CO 0.24 -0.57 -0.04 -1.48 0.41 0.00 0.00 173.24 171.80 2kh2 s LEU 6 N -1.96 2.40 -0.05 2.44 0.05 -0.37 -4.95 118.68 116.24 2kh2 s LEU 6 Ca -0.06 -1.05 0.05 0.00 0.05 0.00 0.00 54.13 53.12 2kh2 s LEU 6 Cb -0.02 -0.01 -0.02 0.00 -2.05 0.00 0.00 46.19 44.09 2kh2 s LEU 6 CO -0.02 -0.52 -0.19 0.20 -0.55 0.00 0.00 176.35 175.26 2kh2 s ASN 7 N -3.05 3.58 0.06 1.48 0.01 -1.26 -0.11 114.94 115.65 2kh2 s ASN 7 Ca 0.14 -0.34 -0.27 0.00 -0.71 0.00 0.00 52.86 51.68 2kh2 s ASN 7 Cb 0.06 -0.76 0.09 0.00 0.41 0.00 0.00 41.25 41.04 2kh2 s ASN 7 CO -0.04 0.31 0.95 0.00 -1.51 0.00 0.00 177.10 176.81 2kh2 s THR 9 N -3.14 4.35 -0.06 0.00 -4.23 -0.06 -1.08 115.64 111.42 2kh2 s THR 9 Ca 0.09 -1.42 0.04 0.00 -1.18 0.00 0.00 61.69 59.22 2kh2 s THR 9 Cb -0.01 -3.34 -0.00 0.00 1.34 0.00 0.00 72.50 70.49 2kh2 s THR 9 CO -0.03 -0.33 -0.18 -0.76 -0.54 0.00 0.00 174.62 172.77 2kh2 s LEU 10 N -3.76 1.91 -0.02 4.79 1.43 -1.26 -1.58 118.68 120.20 2kh2 s LEU 10 Ca 0.32 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 53.05 2kh2 s LEU 10 Cb -0.08 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 45.08 2kh2 s LEU 10 CO 0.24 0.14 -0.07 -0.13 0.23 0.00 0.00 176.35 176.76 2kh2 s ARG 11 N 0.19 0.80 0.56 1.70 0.52 -0.94 -4.04 118.95 117.74 2kh2 s ARG 11 Ca -0.08 -0.25 -0.10 0.00 -0.52 0.00 0.00 55.73 54.78 2kh2 s ARG 11 Cb -0.14 -0.77 0.13 0.00 0.52 0.00 0.00 34.95 34.70 2kh2 s ARG 11 CO 0.04 0.09 0.65 -0.40 0.02 0.00 0.00 175.30 175.70 2kh2 n ASP 12 N 3.30 -0.55 0.08 0.23 5.68 -1.17 0.72 116.55 124.83 2kh2 n ASP 12 Ca -0.18 -1.10 0.07 0.00 -0.50 0.00 0.00 54.79 53.08 2kh2 n ASP 12 Cb 0.55 -0.53 0.34 0.00 -1.14 0.00 0.00 41.12 40.34 2kh2 n ASP 12 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2kh2 n SER 13 N -3.65 0.32 -0.94 -1.12 3.41 -1.15 -0.33 113.62 110.16 2kh2 n SER 13 Ca 0.08 0.63 0.12 0.00 -0.26 0.00 0.00 58.87 59.44 2kh2 n SER 13 Cb 0.31 -0.68 0.10 0.00 -0.26 0.00 0.00 64.21 63.68 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 -1.91 2.24 -2.09 4.33 6.02 -1.26 -4.94 117.38 119.77 2kh2 n GLN 14 Ca 0.00 -1.91 -0.13 0.00 -0.01 0.00 0.00 57.00 54.95 2kh2 n GLN 14 Cb 0.07 -1.45 -0.02 0.00 1.02 0.00 0.00 30.24 29.87 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 1.32 -1.03 -2.12 -1.09 1.13 0.55 -4.98 117.38 111.16 2kh2 n GLN 15 Ca 0.14 0.70 -0.32 0.00 -1.94 0.00 0.00 57.00 55.58 2kh2 n GLN 15 Cb 0.58 -4.90 -0.01 0.00 0.11 0.00 0.00 30.24 26.03 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 -4.37 3.63 0.04 -1.09 1.02 -1.26 -4.55 119.74 113.15 2kh2 s LYS 16 Ca 0.00 0.96 0.06 0.00 0.02 0.00 0.00 55.97 57.02 2kh2 s LYS 16 Cb 0.00 -2.09 -0.03 0.00 -0.52 0.00 0.00 37.83 35.19 2kh2 s LYS 16 CO 0.00 -0.54 -0.15 -1.12 -0.92 0.00 0.00 175.35 172.62 2kh2 s SER 17 N -3.33 4.03 -0.16 2.83 0.01 0.79 -3.06 113.70 114.80 2kh2 s SER 17 Ca 0.59 -0.36 -0.24 0.00 1.31 0.00 0.00 55.95 57.26 2kh2 s SER 17 Cb -0.12 -0.73 -0.02 0.00 0.21 0.00 0.00 66.02 65.36 2kh2 s SER 17 CO 0.40 0.26 0.75 -0.76 0.41 0.00 0.00 173.24 174.30 2kh2 s LEU 18 N -1.48 4.18 0.12 2.44 1.43 -1.26 -1.91 118.68 122.21 2kh2 s LEU 18 Ca 0.16 1.07 0.08 0.00 -1.03 0.00 0.00 54.13 54.41 2kh2 s LEU 18 Cb -0.11 -3.11 -0.04 0.00 0.03 0.00 0.00 46.19 42.97 2kh2 s LEU 18 CO 0.06 -0.32 -0.21 0.68 0.23 0.00 0.00 176.35 176.79 2kh2 s VAL 19 N 1.90 1.78 -0.38 -1.59 -7.23 0.44 -1.73 120.40 113.60 2kh2 s VAL 19 Ca 0.35 -1.67 -0.29 0.00 -1.81 0.00 0.00 61.98 58.57 2kh2 s VAL 19 Cb -0.16 -1.67 0.02 0.00 0.56 0.00 0.00 36.38 35.13 2kh2 s VAL 19 CO 0.12 -0.12 1.08 -0.04 -0.31 0.00 0.00 175.10 175.83 2kh2 s MET 20 N -2.17 3.92 0.00 4.82 -1.94 -1.26 -1.11 119.30 121.56 2kh2 s MET 20 Ca 0.10 0.83 0.00 0.00 -1.71 0.00 0.00 55.69 54.91 2kh2 s MET 20 Cb -0.09 -3.80 0.00 0.00 2.01 0.00 0.00 34.83 32.95 2kh2 s MET 20 CO 0.05 -1.08 0.00 0.45 -0.01 0.00 0.00 175.02 174.43 2kh2 n SER 21 N 7.20 0.00 -1.73 3.03 2.88 0.27 -4.94 113.62 120.32 2kh2 n SER 21 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 2kh2 n SER 21 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 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 2.71 0.73 0.27 0.46 0.00 -1.15 -4.91 105.19 103.29 2kh2 n GLY 22 Ca 0.00 -1.92 0.02 0.00 0.00 0.00 0.00 46.02 44.12 2kh2 n GLY 22 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2kh2 h PRO 23 N 0.00 0.40 -0.27 1.61 0.11 -2.04 -3.20 132.00 128.61 2kh2 h PRO 23 Ca 0.00 -0.07 -0.23 0.00 0.11 0.00 0.00 66.00 65.81 2kh2 h PRO 23 Cb 0.00 -0.06 -0.38 0.00 0.11 0.00 0.00 31.00 30.67 2kh2 h PRO 23 CO 0.00 0.43 -1.03 0.66 -0.21 0.00 0.00 178.00 177.85 2kh2 n TYR 24 N -4.32 0.83 -4.75 0.65 4.01 -1.26 -5.03 117.16 107.28 2kh2 n TYR 24 Ca 0.01 -1.50 -0.25 0.00 -0.16 0.00 0.00 57.90 56.00 2kh2 n TYR 24 Cb 0.22 -0.21 -0.16 0.00 -0.31 0.00 0.00 39.34 38.88 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 -2.34 1.70 -0.03 -0.72 2.12 -1.21 -4.20 118.70 114.02 2kh2 s GLU 25 Ca 0.32 -0.55 0.07 0.00 0.36 0.00 0.00 54.97 55.17 2kh2 s GLU 25 Cb 0.36 -1.47 -0.02 0.00 0.26 0.00 0.00 34.13 33.26 2kh2 s GLU 25 CO -0.08 0.20 -0.23 -0.51 -0.54 0.00 0.00 175.26 174.09 2kh2 s LEU 26 N 0.15 2.21 0.15 2.70 1.43 -1.26 -0.57 118.68 123.48 2kh2 s LEU 26 Ca -0.06 -0.41 0.07 0.00 -1.03 0.00 0.00 54.13 52.71 2kh2 s LEU 26 Cb -0.12 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 2kh2 s LEU 26 CO 0.02 0.33 -0.16 -0.54 0.23 0.00 0.00 176.35 176.23 2kh2 s LYS 27 N -0.64 1.16 -0.13 1.70 1.02 -0.26 -1.53 119.74 121.06 2kh2 s LYS 27 Ca 0.10 -1.33 0.01 0.00 0.02 0.00 0.00 55.97 54.77 2kh2 s LYS 27 Cb -0.10 -1.13 0.02 0.00 -0.52 0.00 0.00 37.83 36.09 2kh2 s LYS 27 CO -0.01 0.22 -0.16 0.00 -0.92 0.00 0.00 175.35 174.49 2kh2 s ALA 28 N -2.10 1.84 0.11 5.17 0.00 0.61 -0.42 121.76 126.97 2kh2 s ALA 28 Ca 0.13 -0.85 -0.18 0.00 0.00 0.00 0.00 51.96 51.06 2kh2 s ALA 28 Cb -0.05 -0.94 0.04 0.00 0.00 0.00 0.00 23.12 22.17 2kh2 s ALA 28 CO 0.05 -0.17 0.44 -0.48 0.00 0.00 0.00 175.76 175.59 2kh2 s LEU 29 N 1.13 0.24 0.11 0.00 0.05 -0.80 -2.84 118.68 116.56 2kh2 s LEU 29 Ca -0.03 -0.19 -0.31 0.00 0.05 0.00 0.00 54.13 53.65 2kh2 s LEU 29 Cb -0.14 1.95 -0.10 0.00 -2.05 0.00 0.00 46.19 45.85 2kh2 s LEU 29 CO -0.05 -0.83 1.76 -1.00 -0.55 0.00 0.00 176.35 175.68 2kh2 s HIS 30 N -3.51 2.28 -0.27 3.48 3.76 -1.26 -0.15 115.29 119.63 2kh2 s HIS 30 Ca 0.01 0.12 0.02 0.00 -0.15 0.00 0.00 55.06 55.06 2kh2 s HIS 30 Cb 0.01 -4.10 0.07 0.00 1.11 0.00 0.00 32.58 29.67 2kh2 s HIS 30 CO -0.10 -4.47 -0.03 -1.17 -0.85 0.00 0.00 174.74 168.12 2kh2 s LEU 31 N 2.63 3.11 0.00 0.89 2.96 -1.26 -4.89 118.68 122.12 2kh2 s LEU 31 Ca 0.78 -1.45 0.00 0.00 -0.22 0.00 0.00 54.13 53.25 2kh2 s LEU 31 Cb -0.44 -1.30 0.00 0.00 0.50 0.00 0.00 46.19 44.95 2kh2 s LEU 31 CO 0.35 -0.27 0.00 0.00 -1.32 0.00 0.00 176.35 175.11 2kh2 n GLN 32 N 4.56 2.33 0.00 1.98 6.02 -1.26 -4.70 117.38 126.31 2kh2 n GLN 32 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 2kh2 n GLN 32 Cb 0.43 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.69 2kh2 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kh2 n GLY 33 N 3.79 3.07 1.54 1.08 0.00 -1.26 -2.31 105.19 111.10 2kh2 n GLY 33 Ca 0.00 -0.32 0.08 0.00 0.00 0.00 0.00 46.02 45.78 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 14.00 4.04 -0.02 1.61 -0.06 -1.26 -4.16 117.38 131.53 2kh2 n GLN 34 Ca 0.00 -2.96 0.13 0.00 -2.00 0.00 0.00 57.00 52.17 2kh2 n GLN 34 Cb 0.00 -2.01 0.29 0.00 -4.06 0.00 0.00 30.24 24.46 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 0.60 2.37 0.28 1.69 9.92 -0.98 -4.22 116.55 126.22 2kh2 n ASP 35 Ca 0.25 -1.79 0.13 0.00 -0.53 0.00 0.00 54.79 52.85 2kh2 n ASP 35 Cb 1.00 -0.02 0.83 0.00 -0.64 0.00 0.00 41.12 42.28 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 3.64 0.00 0.00 -1.24 4.05 -1.72 -1.36 114.93 118.30 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 0.78 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.58 2kh2 h MET 36 CO 0.00 0.00 0.00 0.39 0.23 0.00 0.00 176.91 177.53 2kh2 n GLU 37 N -4.07 0.13 0.00 0.39 1.02 -1.26 -2.07 120.64 114.77 2kh2 n GLU 37 Ca -0.03 0.20 0.15 0.00 -0.02 0.00 0.00 57.16 57.46 2kh2 n GLU 37 Cb 0.09 -1.50 0.73 0.00 -0.02 0.00 0.00 31.44 30.74 2kh2 n GLU 37 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2kh2 n GLN 38 N -1.36 1.32 -2.29 3.49 6.02 -0.51 -4.89 117.38 119.15 2kh2 n GLN 38 Ca 0.05 -0.49 -0.34 0.00 -0.01 0.00 0.00 57.00 56.21 2kh2 n GLN 38 Cb 0.12 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 29.89 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 -2.02 3.46 0.03 -1.09 -2.07 -0.88 -4.68 119.66 112.42 2kh2 s GLN 39 Ca 0.42 1.47 -0.17 0.00 -1.82 0.00 0.00 55.36 55.26 2kh2 s GLN 39 Cb 0.21 -2.03 -0.06 0.00 -1.09 0.00 0.00 33.01 30.04 2kh2 s GLN 39 CO 0.36 -0.74 0.48 0.08 -1.32 0.00 0.00 175.29 174.15 2kh2 s VAL 40 N -1.95 4.90 -0.21 3.63 1.01 -0.71 -5.03 120.40 122.05 2kh2 s VAL 40 Ca 0.70 1.01 -0.08 0.00 0.00 0.00 0.00 61.98 63.61 2kh2 s VAL 40 Cb -0.20 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 2kh2 s VAL 40 CO 0.27 0.56 0.07 -0.69 0.00 0.00 0.00 175.10 175.31 2kh2 s VAL 41 N -1.06 4.66 -0.15 2.92 1.01 -1.26 -4.56 120.40 121.97 2kh2 s VAL 41 Ca 0.26 -0.07 -0.06 0.00 0.00 0.00 0.00 61.98 62.11 2kh2 s VAL 41 Cb -0.18 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 2kh2 s VAL 41 CO 0.16 0.41 0.08 -0.36 0.00 0.00 0.00 175.10 175.39 2kh2 s PHE 42 N 0.82 3.35 -0.22 5.22 0.08 -0.24 -2.50 117.98 124.49 2kh2 s PHE 42 Ca 0.04 0.25 -0.17 0.00 0.12 0.00 0.00 56.93 57.17 2kh2 s PHE 42 Cb -0.14 -1.99 -0.03 0.00 -0.57 0.00 0.00 43.02 40.29 2kh2 s PHE 42 CO 0.02 0.40 0.48 -1.12 -0.10 0.00 0.00 175.22 174.90 2kh2 s SER 43 N -0.29 6.49 -0.40 1.36 0.01 0.69 -2.32 113.70 119.24 2kh2 s SER 43 Ca 0.09 0.58 -0.11 0.00 1.31 0.00 0.00 55.95 57.82 2kh2 s SER 43 Cb -0.12 -2.27 0.05 0.00 0.21 0.00 0.00 66.02 63.90 2kh2 s SER 43 CO 0.01 -0.17 0.25 -0.04 0.41 0.00 0.00 173.24 173.70 2kh2 s MET 44 N 1.70 2.74 0.04 12.44 -1.94 0.85 -2.22 119.30 132.91 2kh2 s MET 44 Ca 0.22 -1.27 -0.19 0.00 -1.71 0.00 0.00 55.69 52.74 2kh2 s MET 44 Cb -0.15 -3.79 -0.06 0.00 2.01 0.00 0.00 34.83 32.84 2kh2 s MET 44 CO 0.09 -0.84 0.55 -1.12 -0.01 0.00 0.00 175.02 173.69 2kh2 s SER 45 N 1.89 7.00 -1.03 3.03 0.01 -1.17 -1.23 113.70 122.19 2kh2 s SER 45 Ca 0.02 1.18 -0.23 0.00 1.31 0.00 0.00 55.95 58.24 2kh2 s SER 45 Cb -0.21 -2.34 0.03 0.00 0.21 0.00 0.00 66.02 63.71 2kh2 s SER 45 CO 0.05 0.23 1.56 -0.36 0.41 0.00 0.00 173.24 175.13 2kh2 s PHE 46 N -0.81 2.44 0.88 2.43 0.08 0.12 -1.63 117.98 121.50 2kh2 s PHE 46 Ca 0.29 -0.67 -0.10 0.00 0.12 0.00 0.00 56.93 56.56 2kh2 s PHE 46 Cb -0.19 -4.59 0.18 0.00 -0.57 0.00 0.00 43.02 37.86 2kh2 s PHE 46 CO 0.18 -1.88 1.21 0.14 -0.10 0.00 0.00 175.22 174.76 2kh2 s VAL 47 N 5.80 2.02 -0.31 -0.44 -7.23 -1.02 -4.70 120.40 114.53 2kh2 s VAL 47 Ca 0.51 -0.25 -0.05 0.00 -1.81 0.00 0.00 61.98 60.38 2kh2 s VAL 47 Cb -0.01 -2.78 0.03 0.00 0.56 0.00 0.00 36.38 34.19 2kh2 s VAL 47 CO -0.06 0.00 0.05 -1.58 -0.31 0.00 0.00 175.10 173.20 2kh2 s GLN 48 N -5.62 2.70 0.00 4.82 2.00 -1.17 -4.73 119.66 117.66 2kh2 s GLN 48 Ca 0.72 -1.11 0.00 0.00 -2.00 0.00 0.00 55.36 52.97 2kh2 s GLN 48 Cb -0.04 -3.32 0.00 0.00 0.80 0.00 0.00 33.01 30.46 2kh2 s GLN 48 CO 0.50 -0.58 0.00 0.41 -0.50 0.00 0.00 175.29 175.12 2kh2 n GLY 49 N 4.76 2.58 3.56 2.59 0.00 -1.26 -4.94 105.19 112.48 2kh2 n GLY 49 Ca -0.14 0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 2kh2 n GLY 49 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kh2 s GLU 50 N 3.45 3.55 -0.15 1.61 2.56 -1.26 -4.97 118.70 123.49 2kh2 s GLU 50 Ca 0.00 -1.12 -0.12 0.00 0.00 0.00 0.00 54.97 53.73 2kh2 s GLU 50 Cb 0.00 -5.35 -0.05 0.00 2.00 0.00 0.00 34.13 30.73 2kh2 s GLU 50 CO 0.00 -2.28 0.25 -2.00 -0.56 0.00 0.00 175.26 170.68 2kh2 s GLU 51 N 5.05 4.13 0.00 4.30 2.12 -1.26 -3.60 118.70 129.45 2kh2 s GLU 51 Ca 0.48 0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.84 2kh2 s GLU 51 Cb -0.00 -3.38 0.00 0.00 0.26 0.00 0.00 34.13 31.00 2kh2 s GLU 51 CO -0.09 0.34 0.00 -1.13 -0.54 0.00 0.00 175.26 173.84 2kh2 n SER 52 N 3.27 0.00 0.03 -1.70 3.41 -1.23 -5.01 113.62 112.39 2kh2 n SER 52 Ca -0.14 -0.84 -0.11 0.00 -0.26 0.00 0.00 58.87 57.52 2kh2 n SER 52 Cb 0.52 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.34 2kh2 n SER 52 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 2kh2 h ASN 53 N 0.00 0.14 0.02 4.04 -1.24 -2.01 -3.39 115.58 113.15 2kh2 h ASN 53 Ca 0.00 -0.21 -0.19 0.00 0.71 0.00 0.00 56.30 56.61 2kh2 h ASN 53 Cb 0.00 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 38.98 2kh2 h ASN 53 CO 0.00 1.18 -1.01 -2.24 -1.29 0.00 0.00 177.43 174.07 2kh2 h ASP 54 N 0.03 0.07 -2.97 1.15 2.03 -1.94 -3.48 116.42 111.31 2kh2 h ASP 54 Ca -0.20 -0.69 -0.45 0.00 -0.73 0.00 0.00 57.03 54.96 2kh2 h ASP 54 Cb 1.94 -0.02 0.05 0.00 -0.83 0.00 0.00 39.33 40.47 2kh2 h ASP 54 CO 0.12 1.41 0.02 -0.54 -1.03 0.00 0.00 179.24 179.22 2kh2 s LYS 55 N -2.35 2.75 -0.18 4.15 1.02 -1.26 -2.83 119.74 121.04 2kh2 s LYS 55 Ca -0.25 -0.46 -0.04 0.00 0.02 0.00 0.00 55.97 55.24 2kh2 s LYS 55 Cb 0.04 -2.43 0.09 0.00 -0.52 0.00 0.00 37.83 35.00 2kh2 s LYS 55 CO 0.65 -0.63 0.26 0.42 -0.92 0.00 0.00 175.35 175.13 2kh2 s ILE 56 N -2.80 -0.41 -0.51 2.17 -1.09 -0.07 -3.57 121.20 114.93 2kh2 s ILE 56 Ca 0.54 0.05 -0.28 0.00 -2.23 0.00 0.00 60.65 58.73 2kh2 s ILE 56 Cb -0.10 -0.61 0.02 0.00 -1.58 0.00 0.00 42.46 40.19 2kh2 s ILE 56 CO 0.40 -0.06 1.31 -2.16 -1.23 0.00 0.00 174.94 173.20 2kh2 s PRO 57 N 2.40 3.50 0.23 2.79 0.04 -1.24 -1.00 135.00 141.73 2kh2 s PRO 57 Ca 0.06 0.55 0.00 0.00 0.04 0.00 0.00 61.00 61.64 2kh2 s PRO 57 Cb -0.14 -4.03 -0.04 0.00 0.04 0.00 0.00 34.50 30.32 2kh2 s PRO 57 CO -0.11 -1.68 0.13 0.14 0.04 0.00 0.00 177.00 175.52 2kh2 s VAL 58 N 5.33 0.17 0.24 -0.36 -7.23 -0.76 -2.42 120.40 115.37 2kh2 s VAL 58 Ca 0.52 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.78 2kh2 s VAL 58 Cb -0.10 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 2kh2 s VAL 58 CO 0.28 0.00 -0.05 0.00 -0.31 0.00 0.00 175.10 175.02 2kh2 s ALA 59 N -4.00 3.05 -0.28 1.32 0.00 -0.64 -0.17 121.76 121.04 2kh2 s ALA 59 Ca 0.39 -1.61 0.02 0.00 0.00 0.00 0.00 51.96 50.75 2kh2 s ALA 59 Cb 0.07 -0.72 0.08 0.00 0.00 0.00 0.00 23.12 22.55 2kh2 s ALA 59 CO 0.13 0.34 -0.01 -0.51 0.00 0.00 0.00 175.76 175.71 2kh2 s LEU 60 N -3.36 3.21 0.26 0.00 1.43 -1.26 -3.03 118.68 115.93 2kh2 s LEU 60 Ca 0.29 -1.54 0.05 0.00 -1.03 0.00 0.00 54.13 51.90 2kh2 s LEU 60 Cb -0.07 -1.29 -0.06 0.00 0.03 0.00 0.00 46.19 44.80 2kh2 s LEU 60 CO 0.18 -0.30 -0.03 -0.83 0.23 0.00 0.00 176.35 175.60 2kh2 s GLY 61 N 1.26 1.73 0.13 -3.19 0.00 -0.94 -0.67 107.32 105.64 2kh2 s GLY 61 Ca 0.01 -1.85 -0.25 0.00 0.00 0.00 0.00 44.72 42.63 2kh2 s GLY 61 CO -0.10 -1.77 0.75 1.08 0.00 0.00 0.00 173.10 173.07 2kh2 s LEU 62 N -3.39 4.55 0.04 0.66 1.02 -0.31 -0.22 118.68 121.03 2kh2 s LEU 62 Ca 0.29 1.56 -0.34 0.00 0.02 0.00 0.00 54.13 55.65 2kh2 s LEU 62 Cb 0.05 -3.24 -0.13 0.00 0.02 0.00 0.00 46.19 42.89 2kh2 s LEU 62 CO 0.11 0.17 1.68 1.17 0.02 0.00 0.00 176.35 179.50 2kh2 n LYS 63 N 1.91 2.05 -2.60 1.70 4.81 -1.04 -1.78 118.16 123.22 2kh2 n LYS 63 Ca -0.05 0.75 -0.12 0.00 -0.87 0.00 0.00 58.31 58.01 2kh2 n LYS 63 Cb 0.49 -2.53 -0.00 0.00 0.02 0.00 0.00 35.03 33.01 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 4.66 -2.53 -4.17 1.64 0.00 -1.26 -4.95 120.64 114.01 2kh2 n GLU 64 Ca 0.20 0.49 -0.18 0.00 0.00 0.00 0.00 57.16 57.67 2kh2 n GLU 64 Cb 0.28 -5.09 -0.12 0.00 0.00 0.00 0.00 31.44 26.51 2kh2 n GLU 64 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2kh2 s LYS 65 N -5.19 0.83 -0.14 3.44 1.02 -0.73 -5.03 119.74 113.94 2kh2 s LYS 65 Ca 0.07 -1.00 0.05 0.00 0.02 0.00 0.00 55.97 55.10 2kh2 s LYS 65 Cb -0.03 -0.77 0.37 0.00 -0.52 0.00 0.00 37.83 36.87 2kh2 s LYS 65 CO 0.08 0.16 1.20 0.27 -0.92 0.00 0.00 175.35 176.15 2kh2 n ASN 66 N 1.11 3.30 -4.52 2.83 6.94 -1.26 -4.46 115.26 119.20 2kh2 n ASN 66 Ca -0.20 -2.54 -0.37 0.00 -0.02 0.00 0.00 54.58 51.45 2kh2 n ASN 66 Cb 0.55 -0.61 -0.12 0.00 -2.36 0.00 0.00 39.78 37.24 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 -1.39 3.69 0.10 -4.53 1.43 -1.26 -1.38 118.68 115.34 2kh2 s LEU 67 Ca 0.26 -0.11 0.08 0.00 -1.03 0.00 0.00 54.13 53.34 2kh2 s LEU 67 Cb 0.21 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 2kh2 s LEU 67 CO 0.07 -0.02 -0.22 -0.31 0.23 0.00 0.00 176.35 176.10 2kh2 s TYR 68 N 1.58 1.85 -0.16 0.29 1.51 -0.79 -1.17 117.35 120.47 2kh2 s TYR 68 Ca 0.06 -0.41 -0.29 0.00 -1.01 0.00 0.00 57.07 55.42 2kh2 s TYR 68 Cb -0.15 -1.03 -0.03 0.00 -0.11 0.00 0.00 41.96 40.64 2kh2 s TYR 68 CO 0.06 0.20 1.51 -0.51 -1.11 0.00 0.00 175.55 175.71 2kh2 s LEU 69 N -1.82 4.10 -0.09 -1.29 1.43 0.16 -0.55 118.68 120.63 2kh2 s LEU 69 Ca 0.07 1.81 0.02 0.00 -1.03 0.00 0.00 54.13 55.00 2kh2 s LEU 69 Cb -0.10 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 2kh2 s LEU 69 CO 0.04 -1.01 -0.15 -0.55 0.23 0.00 0.00 176.35 174.91 2kh2 s SER 70 N 3.26 3.90 -0.38 2.29 0.15 0.98 -4.45 113.70 119.44 2kh2 s SER 70 Ca 0.67 -0.30 -0.12 0.00 0.70 0.00 0.00 55.95 56.90 2kh2 s SER 70 Cb -0.26 -1.19 0.02 0.00 -1.71 0.00 0.00 66.02 62.88 2kh2 s SER 70 CO 0.25 0.25 0.23 0.00 1.20 0.00 0.00 173.24 175.17 2kh2 s VAL 72 N 1.59 0.75 -0.28 0.00 -7.23 -0.68 -4.70 120.40 109.85 2kh2 s VAL 72 Ca 0.03 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.06 2kh2 s VAL 72 Cb -0.19 -2.44 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 2kh2 s VAL 72 CO 0.08 -0.21 0.31 -0.76 -0.31 0.00 0.00 175.10 174.20 2kh2 s LEU 73 N -3.29 4.10 -0.26 1.32 1.43 -1.26 -0.22 118.68 120.49 2kh2 s LEU 73 Ca 0.32 0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.54 2kh2 s LEU 73 Cb 0.07 -2.30 0.06 0.00 0.03 0.00 0.00 46.19 44.05 2kh2 s LEU 73 CO 0.10 -0.16 -0.08 -0.54 0.23 0.00 0.00 176.35 175.90 2kh2 s LYS 74 N 1.95 2.04 -0.92 1.70 1.02 0.50 -4.73 119.74 121.29 2kh2 s LYS 74 Ca 0.12 -1.31 -0.03 0.00 0.02 0.00 0.00 55.97 54.77 2kh2 s LYS 74 Cb -0.16 -2.84 -0.03 0.00 -0.52 0.00 0.00 37.83 34.28 2kh2 s LYS 74 CO 0.11 -0.61 0.79 -3.47 -0.92 0.00 0.00 175.35 171.25 2kh2 n ASP 75 N 4.47 -4.02 -2.16 2.83 -0.08 -1.26 -2.69 116.55 113.65 2kh2 n ASP 75 Ca -0.12 -0.55 -0.15 0.00 -1.51 0.00 0.00 54.79 52.45 2kh2 n ASP 75 Cb 0.42 -4.35 -0.02 0.00 2.34 0.00 0.00 41.12 39.51 2kh2 n ASP 75 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2kh2 n ASP 76 N -2.84 -4.49 -3.78 1.67 9.92 -1.26 -4.95 116.55 110.81 2kh2 n ASP 76 Ca -0.14 0.19 -0.19 0.00 -0.53 0.00 0.00 54.79 54.12 2kh2 n ASP 76 Cb 0.62 -3.86 -0.17 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 -4.56 0.31 -0.10 -1.24 2.47 -1.09 -5.11 119.74 110.41 2kh2 s LYS 77 Ca 0.00 0.13 -0.29 0.00 -1.56 0.00 0.00 55.97 54.25 2kh2 s LYS 77 Cb 0.00 -0.60 -0.05 0.00 -1.46 0.00 0.00 37.83 35.72 2kh2 s LYS 77 CO 0.00 -0.20 1.76 -2.14 0.16 0.00 0.00 175.35 174.92 2kh2 s PRO 78 N 1.43 3.96 0.13 4.03 0.02 -1.26 -0.37 135.00 142.94 2kh2 s PRO 78 Ca -0.04 2.10 0.05 0.00 0.02 0.00 0.00 61.00 63.13 2kh2 s PRO 78 Cb -0.13 -4.07 -0.04 0.00 0.02 0.00 0.00 34.50 30.28 2kh2 s PRO 78 CO -0.03 -1.12 -0.12 0.95 -0.33 0.00 0.00 177.00 176.35 2kh2 s THR 79 N 4.88 1.26 0.01 0.99 -4.23 0.69 -4.65 115.64 114.58 2kh2 s THR 79 Ca 0.78 -1.86 -0.02 0.00 -1.18 0.00 0.00 61.69 59.42 2kh2 s THR 79 Cb -0.33 -1.65 -0.04 0.00 1.34 0.00 0.00 72.50 71.83 2kh2 s THR 79 CO 0.32 -0.56 0.17 -0.22 -0.54 0.00 0.00 174.62 173.79 2kh2 s LEU 80 N -2.76 4.29 0.34 4.79 2.96 -1.26 -1.68 118.68 125.36 2kh2 s LEU 80 Ca 0.12 0.30 -0.16 0.00 -0.22 0.00 0.00 54.13 54.17 2kh2 s LEU 80 Cb -0.02 -2.62 0.04 0.00 0.50 0.00 0.00 46.19 44.09 2kh2 s LEU 80 CO 0.02 0.25 0.72 0.00 -1.32 0.00 0.00 176.35 176.02 2kh2 s GLN 81 N -2.01 2.03 -0.26 1.98 -2.07 -0.36 -4.94 119.66 114.03 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 -0.13 0.60 -0.01 0.00 -1.09 0.00 0.00 33.01 32.38 2kh2 s GLN 81 CO 0.20 -0.93 0.06 -0.51 -1.32 0.00 0.00 175.29 172.78 2kh2 s LEU 82 N -3.04 3.53 -0.20 2.60 2.01 -1.26 -0.01 118.68 122.31 2kh2 s LEU 82 Ca 0.16 -0.43 -0.08 0.00 0.01 0.00 0.00 54.13 53.79 2kh2 s LEU 82 Cb -0.05 -1.88 -0.04 0.00 0.01 0.00 0.00 46.19 44.23 2kh2 s LEU 82 CO 0.11 -0.10 0.08 -0.70 1.01 0.00 0.00 176.35 176.75 2kh2 s GLU 83 N 1.55 3.94 -0.65 1.70 2.12 0.29 -4.88 118.70 122.78 2kh2 s GLU 83 Ca 0.05 -0.35 -0.25 0.00 0.36 0.00 0.00 54.97 54.77 2kh2 s GLU 83 Cb -0.16 -3.27 0.04 0.00 0.26 0.00 0.00 34.13 31.00 2kh2 s GLU 83 CO 0.02 0.18 1.10 -1.12 -0.54 0.00 0.00 175.26 174.90 2kh2 s SER 84 N 0.64 6.26 0.34 -1.70 0.01 -1.26 -1.88 113.70 116.11 2kh2 s SER 84 Ca 0.04 -0.47 0.07 0.00 1.31 0.00 0.00 55.95 56.90 2kh2 s SER 84 Cb -0.13 -2.49 -0.01 0.00 0.21 0.00 0.00 66.02 63.60 2kh2 s SER 84 CO 0.01 -1.53 0.44 0.68 0.41 0.00 0.00 173.24 173.25 2kh2 s VAL 85 N 4.74 3.89 0.06 3.43 -7.23 -0.48 -5.03 120.40 119.78 2kh2 s VAL 85 Ca 0.32 -1.08 -0.31 0.00 -1.81 0.00 0.00 61.98 59.10 2kh2 s VAL 85 Cb -0.11 -3.34 -0.10 0.00 0.56 0.00 0.00 36.38 33.39 2kh2 s VAL 85 CO 0.17 -0.15 1.91 -0.67 -0.31 0.00 0.00 175.10 176.04 2kh2 n ASP 86 N -1.59 4.04 0.29 4.85 2.03 -1.26 -4.81 116.55 120.10 2kh2 n ASP 86 Ca -0.00 0.94 0.16 0.00 0.52 0.00 0.00 54.79 56.42 2kh2 n ASP 86 Cb 0.59 -1.52 0.91 0.00 -0.72 0.00 0.00 41.12 40.37 2kh2 n ASP 86 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2kh2 h PRO 87 N 9.60 0.00 0.00 -0.67 0.13 -1.92 -2.13 132.00 137.02 2kh2 h PRO 87 Ca -0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 2kh2 h PRO 87 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 2kh2 h PRO 87 CO 0.94 0.04 -2.01 0.36 -0.23 0.00 0.00 178.00 177.10 2kh2 n LYS 88 N -3.52 0.66 0.00 0.86 2.85 -1.26 -4.20 118.16 113.55 2kh2 n LYS 88 Ca -0.02 -0.19 0.13 0.00 -1.05 0.00 0.00 58.31 57.17 2kh2 n LYS 88 Cb 0.15 -1.52 0.31 0.00 -0.65 0.00 0.00 35.03 33.33 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 -2.28 1.32 -4.09 -5.58 3.02 -1.06 -4.89 115.26 101.72 2kh2 n ASN 89 Ca -0.05 -1.11 -0.14 0.00 -0.03 0.00 0.00 54.58 53.24 2kh2 n ASN 89 Cb 0.60 0.18 -0.12 0.00 -0.61 0.00 0.00 39.78 39.83 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 -2.43 0.80 0.60 3.10 1.51 -0.83 -4.58 117.35 115.53 2kh2 s TYR 90 Ca 0.25 -0.48 -0.08 0.00 -1.01 0.00 0.00 57.07 55.75 2kh2 s TYR 90 Cb 0.19 -0.47 0.13 0.00 -0.11 0.00 0.00 41.96 41.71 2kh2 s TYR 90 CO 0.50 -0.05 0.82 -0.35 -1.11 0.00 0.00 175.55 175.36 2kh2 n PRO 91 N 1.45 -0.59 -3.86 -1.71 -0.04 -1.26 -4.75 135.00 124.24 2kh2 n PRO 91 Ca -0.22 -1.47 -0.09 0.00 -0.04 0.00 0.00 63.50 61.67 2kh2 n PRO 91 Cb 0.55 -0.78 -0.05 0.00 -0.04 0.00 0.00 33.50 33.17 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 -4.72 1.27 0.07 0.54 -2.85 -1.26 -5.07 119.74 107.72 2kh2 s LYS 92 Ca 0.48 -1.03 -0.21 0.00 -1.00 0.00 0.00 55.97 54.21 2kh2 s LYS 92 Cb -0.02 0.45 -0.12 0.00 -2.06 0.00 0.00 37.83 36.08 2kh2 s LYS 92 CO 0.33 -0.50 1.54 -0.22 0.10 0.00 0.00 175.35 176.60 2kh2 h LYS 93 N 2.37 0.24 -3.69 1.78 3.64 -1.93 -3.35 116.57 115.63 2kh2 h LYS 93 Ca -0.30 -0.06 -0.77 0.00 -1.27 0.00 0.00 60.65 58.25 2kh2 h LYS 93 Cb 1.24 -0.03 -0.29 0.00 -0.41 0.00 0.00 32.23 32.75 2kh2 h LYS 93 CO 0.43 0.42 0.05 0.21 -2.27 0.00 0.00 179.45 178.28 2kh2 s LYS 94 N -5.20 3.47 0.84 1.90 2.47 -1.26 -3.03 119.74 118.93 2kh2 s LYS 94 Ca -0.14 -2.67 -0.13 0.00 -1.56 0.00 0.00 55.97 51.47 2kh2 s LYS 94 Cb 0.06 -4.27 0.10 0.00 -1.46 0.00 0.00 37.83 32.26 2kh2 s LYS 94 CO 0.71 -1.26 1.21 -1.64 0.16 0.00 0.00 175.35 174.53 2kh2 s MET 95 N -0.25 1.68 0.63 4.03 -1.94 -1.26 -5.03 119.30 117.17 2kh2 s MET 95 Ca 0.21 0.01 -0.17 0.00 -1.71 0.00 0.00 55.69 54.03 2kh2 s MET 95 Cb -0.12 -1.93 -0.01 0.00 2.01 0.00 0.00 34.83 34.78 2kh2 s MET 95 CO -0.08 -1.77 1.17 -1.21 -0.01 0.00 0.00 175.02 173.11 2kh2 s GLU 96 N -5.63 2.80 0.48 2.03 8.01 -1.26 -4.87 118.70 120.25 2kh2 s GLU 96 Ca 0.64 1.65 0.16 0.00 0.01 0.00 0.00 54.97 57.43 2kh2 s GLU 96 Cb -0.10 -1.93 1.15 0.00 -4.31 0.00 0.00 34.13 28.95 2kh2 s GLU 96 CO 0.50 -1.30 2.05 -0.22 0.01 0.00 0.00 175.26 176.30 2kh2 h LYS 97 N 0.43 0.22 0.00 1.61 1.63 -1.95 0.85 116.57 119.36 2kh2 h LYS 97 Ca -0.49 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.30 2kh2 h LYS 97 Cb 1.28 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 2kh2 h LYS 97 CO 0.54 0.15 0.00 2.89 -3.45 0.00 0.00 179.45 179.57 2kh2 n ARG 98 N -4.47 0.25 -0.00 1.90 1.85 -1.26 -2.70 116.66 112.23 2kh2 n ARG 98 Ca 0.05 0.05 0.05 0.00 -1.00 0.00 0.00 57.85 57.00 2kh2 n ARG 98 Cb 0.29 -1.50 0.04 0.00 -1.05 0.00 0.00 32.46 30.24 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 -1.35 0.01 -3.53 2.89 3.72 0.26 -0.91 117.46 118.55 2kh2 n PHE 99 Ca 0.10 -0.01 -0.38 0.00 -0.05 0.00 0.00 57.45 57.12 2kh2 n PHE 99 Cb 0.23 -0.00 -0.09 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 -0.85 5.28 0.07 -4.37 1.01 -1.01 -3.99 120.40 116.53 2kh2 s VAL 100 Ca 0.12 0.41 0.07 0.00 0.00 0.00 0.00 61.98 62.58 2kh2 s VAL 100 Cb 0.09 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 2kh2 s VAL 100 CO 0.13 0.28 -0.14 -0.36 0.00 0.00 0.00 175.10 175.01 2kh2 s PHE 101 N 1.33 2.66 -0.50 5.22 0.08 0.76 -2.08 117.98 125.45 2kh2 s PHE 101 Ca 0.12 -0.20 -0.15 0.00 0.12 0.00 0.00 56.93 56.83 2kh2 s PHE 101 Cb -0.14 -1.46 0.11 0.00 -0.57 0.00 0.00 43.02 40.96 2kh2 s PHE 101 CO 0.07 0.34 0.44 -0.80 -0.10 0.00 0.00 175.22 175.17 2kh2 s ASN 102 N -1.78 6.09 -0.68 1.36 0.02 0.26 -1.83 114.94 118.38 2kh2 s ASN 102 Ca 0.17 -1.63 -0.27 0.00 -1.02 0.00 0.00 52.86 50.11 2kh2 s ASN 102 Cb -0.11 -2.17 0.02 0.00 0.02 0.00 0.00 41.25 39.01 2kh2 s ASN 102 CO 0.09 -0.75 1.40 -0.75 0.02 0.00 0.00 177.10 177.11 2kh2 s LYS 103 N 1.58 3.12 -0.03 -0.60 2.20 -0.17 -0.80 119.74 125.05 2kh2 s LYS 103 Ca 0.04 0.05 -0.16 0.00 -0.36 0.00 0.00 55.97 55.53 2kh2 s LYS 103 Cb -0.27 -4.20 -0.05 0.00 -1.51 0.00 0.00 37.83 31.79 2kh2 s LYS 103 CO 0.04 -2.20 0.44 0.42 -0.36 0.00 0.00 175.35 173.68 2kh2 s ILE 104 N 6.37 5.05 0.17 5.43 1.01 0.94 -0.89 121.20 139.28 2kh2 s ILE 104 Ca 0.44 0.90 0.08 0.00 0.00 0.00 0.00 60.65 62.07 2kh2 s ILE 104 Cb -0.09 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 2kh2 s ILE 104 CO 0.18 0.51 -0.17 -1.61 0.00 0.00 0.00 174.94 173.84 2kh2 s GLU 105 N -0.59 1.28 0.02 2.79 2.02 -1.13 -0.06 118.70 123.03 2kh2 s GLU 105 Ca 0.24 -1.43 0.00 0.00 0.02 0.00 0.00 54.97 53.80 2kh2 s GLU 105 Cb -0.16 -1.28 0.00 0.00 0.10 0.00 0.00 34.13 32.78 2kh2 s GLU 105 CO 0.13 0.25 0.00 0.44 0.02 0.00 0.00 175.26 176.10 2kh2 n ILE 106 N 0.18 0.05 0.00 -1.63 -5.35 -1.14 -4.92 119.36 106.54 2kh2 n ILE 106 Ca -0.12 0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 2kh2 n ILE 106 Cb 0.58 -1.02 0.00 0.00 -1.74 0.00 0.00 39.64 37.46 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 -2.82 0.00 0.07 7.28 0.23 -1.26 -4.98 115.26 113.78 2kh2 n ASN 107 Ca 0.00 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.17 2kh2 n ASN 107 Cb 0.24 0.00 0.09 0.00 -2.08 0.00 0.00 39.78 38.03 2kh2 n ASN 107 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2kh2 n ASN 108 N -0.14 0.73 -4.40 0.53 0.23 -1.26 -4.91 115.26 106.03 2kh2 n ASN 108 Ca 0.00 0.12 -0.21 0.00 -0.53 0.00 0.00 54.58 53.96 2kh2 n ASN 108 Cb 0.00 0.37 -0.10 0.00 -2.08 0.00 0.00 39.78 37.97 2kh2 n ASN 108 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2kh2 s LYS 109 N -3.23 1.49 0.03 -3.83 -0.14 -1.26 -4.77 119.74 108.02 2kh2 s LYS 109 Ca 0.04 -1.66 -0.02 0.00 -1.36 0.00 0.00 55.97 52.96 2kh2 s LYS 109 Cb 0.12 -1.43 -0.02 0.00 -1.68 0.00 0.00 37.83 34.82 2kh2 s LYS 109 CO 0.76 0.26 0.02 -0.48 -0.76 0.00 0.00 175.35 175.14 2kh2 s LEU 110 N -3.37 2.11 0.11 3.17 0.05 0.86 -2.90 118.68 118.70 2kh2 s LEU 110 Ca 0.26 -0.56 0.10 0.00 0.05 0.00 0.00 54.13 53.98 2kh2 s LEU 110 Cb -0.03 0.29 -0.04 0.00 -2.05 0.00 0.00 46.19 44.36 2kh2 s LEU 110 CO 0.11 -0.40 -0.25 -1.61 -0.55 0.00 0.00 176.35 173.64 2kh2 s GLU 111 N -2.11 1.39 -0.34 1.48 2.02 0.91 0.47 118.70 122.52 2kh2 s GLU 111 Ca -0.10 -1.26 -0.06 0.00 0.02 0.00 0.00 54.97 53.57 2kh2 s GLU 111 Cb -0.05 -1.78 0.05 0.00 0.10 0.00 0.00 34.13 32.44 2kh2 s GLU 111 CO -0.03 0.43 0.09 -0.06 0.02 0.00 0.00 175.26 175.71 2kh2 s PHE 112 N -1.04 3.27 0.08 1.61 0.08 -1.26 -0.04 117.98 120.68 2kh2 s PHE 112 Ca 0.12 -1.55 -0.09 0.00 0.12 0.00 0.00 56.93 55.53 2kh2 s PHE 112 Cb -0.10 -2.31 -0.06 0.00 -0.57 0.00 0.00 43.02 39.99 2kh2 s PHE 112 CO 0.05 -0.76 0.38 -2.00 -0.10 0.00 0.00 175.22 172.79 2kh2 s GLU 113 N 1.37 3.72 -0.07 0.44 2.12 0.02 -2.02 118.70 124.28 2kh2 s GLU 113 Ca -0.02 0.11 -0.24 0.00 0.36 0.00 0.00 54.97 55.18 2kh2 s GLU 113 Cb -0.20 -2.98 -0.03 0.00 0.26 0.00 0.00 34.13 31.18 2kh2 s GLU 113 CO 0.02 0.56 0.74 0.45 -0.54 0.00 0.00 175.26 176.48 2kh2 s SER 114 N -1.85 7.02 0.22 -1.70 0.15 -0.07 0.89 113.70 118.35 2kh2 s SER 114 Ca 0.34 1.23 -0.01 0.00 0.70 0.00 0.00 55.95 58.21 2kh2 s SER 114 Cb -0.14 -2.43 0.20 0.00 -1.71 0.00 0.00 66.02 61.94 2kh2 s SER 114 CO 0.19 -0.15 1.56 0.00 1.20 0.00 0.00 173.24 176.04 2kh2 h ALA 115 N 6.81 0.81 -0.49 5.45 0.00 -1.65 -3.01 119.26 127.19 2kh2 h ALA 115 Ca -0.40 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 53.95 2kh2 h ALA 115 Cb 1.20 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2kh2 h ALA 115 CO 0.76 0.67 -0.03 0.37 0.00 0.00 0.00 179.25 181.01 2kh2 h GLN 116 N 0.39 0.88 -3.79 0.00 5.75 -1.76 -3.39 115.11 113.19 2kh2 h GLN 116 Ca 0.02 -0.30 -0.63 0.00 -0.15 0.00 0.00 58.65 57.59 2kh2 h GLN 116 Cb 0.99 -0.07 -0.40 0.00 1.07 0.00 0.00 27.48 29.07 2kh2 h GLN 116 CO 0.09 0.93 -0.71 -0.06 -2.65 0.00 0.00 178.83 176.43 2kh2 s PHE 117 N -4.95 2.86 0.44 3.99 0.08 -1.14 -5.08 117.98 114.17 2kh2 s PHE 117 Ca -0.12 -2.69 -0.25 0.00 0.12 0.00 0.00 56.93 53.98 2kh2 s PHE 117 Cb 0.12 -2.46 -0.09 0.00 -0.57 0.00 0.00 43.02 40.02 2kh2 s PHE 117 CO 0.83 -0.85 1.43 -2.30 -0.10 0.00 0.00 175.22 174.23 2kh2 n PRO 118 N 3.93 2.26 -0.90 0.24 -0.02 -1.17 -2.14 135.00 137.20 2kh2 n PRO 118 Ca 0.04 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 2kh2 n PRO 118 Cb 0.38 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 2kh2 n PRO 118 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2kh2 n ASN 119 N -0.11 -0.83 -4.39 2.55 5.03 -1.26 -4.98 115.26 111.27 2kh2 n ASN 119 Ca 0.05 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 55.11 2kh2 n ASN 119 Cb 0.41 -0.79 -0.12 0.00 -1.02 0.00 0.00 39.78 38.26 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 -2.89 3.21 0.20 3.10 0.52 -0.91 -4.40 118.94 117.77 2kh2 s TRP 120 Ca 0.00 -0.85 0.09 0.00 0.02 0.00 0.00 56.10 55.35 2kh2 s TRP 120 Cb 0.00 -2.38 -0.04 0.00 -1.15 0.00 0.00 33.47 29.89 2kh2 s TRP 120 CO 0.00 -0.58 -0.04 0.71 0.02 0.00 0.00 176.95 177.06 2kh2 s TYR 121 N 1.56 2.72 -0.08 -1.98 1.51 0.81 -0.89 117.35 121.01 2kh2 s TYR 121 Ca 0.03 -0.19 -0.30 0.00 -1.01 0.00 0.00 57.07 55.60 2kh2 s TYR 121 Cb -0.18 -1.29 -0.05 0.00 -0.11 0.00 0.00 41.96 40.32 2kh2 s TYR 121 CO 0.06 0.54 1.68 0.42 -1.11 0.00 0.00 175.55 177.14 2kh2 s ILE 122 N -1.88 3.56 0.14 2.71 1.01 -0.85 -0.42 121.20 125.48 2kh2 s ILE 122 Ca 0.27 0.67 0.11 0.00 0.00 0.00 0.00 60.65 61.70 2kh2 s ILE 122 Cb -0.08 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 2kh2 s ILE 122 CO 0.18 -0.09 -0.24 -0.44 0.00 0.00 0.00 174.94 174.34 2kh2 s SER 123 N 3.67 3.46 0.06 3.58 0.01 0.63 -4.43 113.70 120.68 2kh2 s SER 123 Ca 0.74 -0.74 0.06 0.00 1.31 0.00 0.00 55.95 57.32 2kh2 s SER 123 Cb -0.32 -0.29 -0.03 0.00 0.21 0.00 0.00 66.02 65.59 2kh2 s SER 123 CO 0.30 0.16 -0.17 0.42 0.41 0.00 0.00 173.24 174.36 2kh2 s THR 124 N -1.23 1.36 0.60 1.44 -4.23 -0.22 -2.16 115.64 111.20 2kh2 s THR 124 Ca 0.16 -1.23 -0.08 0.00 -1.18 0.00 0.00 61.69 59.36 2kh2 s THR 124 Cb -0.10 -1.24 -0.01 0.00 1.34 0.00 0.00 72.50 72.49 2kh2 s THR 124 CO 0.08 -0.02 0.95 -0.44 -0.54 0.00 0.00 174.62 174.65 2kh2 s SER 125 N -1.45 5.89 0.40 3.99 0.01 -1.26 -0.19 113.70 121.09 2kh2 s SER 125 Ca 0.03 1.04 0.28 0.00 1.31 0.00 0.00 55.95 58.61 2kh2 s SER 125 Cb -0.09 -2.09 1.03 0.00 0.21 0.00 0.00 66.02 65.08 2kh2 s SER 125 CO 0.02 -0.96 1.82 1.56 0.41 0.00 0.00 173.24 176.09 2kh2 h GLN 126 N -0.22 0.00 -6.91 12.44 1.08 -1.97 -3.45 115.11 116.08 2kh2 h GLN 126 Ca -0.45 0.00 -0.48 0.00 -1.45 0.00 0.00 58.65 56.27 2kh2 h GLN 126 Cb 1.23 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.65 2kh2 h GLN 126 CO 0.62 0.00 0.20 0.00 -0.95 0.00 0.00 178.83 178.70 2kh2 s ALA 127 N -3.42 3.23 0.41 3.87 0.00 -1.26 -5.05 121.76 119.53 2kh2 s ALA 127 Ca 0.04 0.07 -0.22 0.00 0.00 0.00 0.00 51.96 51.85 2kh2 s ALA 127 Cb 0.09 -2.89 -0.10 0.00 0.00 0.00 0.00 23.12 20.22 2kh2 s ALA 127 CO 0.52 0.10 0.96 -2.00 0.00 0.00 0.00 175.76 175.34 2kh2 s GLU 128 N -3.45 4.28 -1.25 0.00 2.56 -1.26 -3.82 118.70 115.75 2kh2 s GLU 128 Ca 0.56 1.20 -0.01 0.00 0.00 0.00 0.00 54.97 56.71 2kh2 s GLU 128 Cb -0.10 -2.33 0.00 0.00 2.00 0.00 0.00 34.13 33.71 2kh2 s GLU 128 CO 0.23 0.01 0.19 -1.71 -0.56 0.00 0.00 175.26 173.41 2kh2 n ASN 129 N -0.37 -4.76 -4.89 -1.70 5.15 -1.13 -5.01 115.26 102.54 2kh2 n ASN 129 Ca 0.06 -0.10 -0.35 0.00 -0.60 0.00 0.00 54.58 53.60 2kh2 n ASN 129 Cb 0.53 -3.78 -0.05 0.00 -0.53 0.00 0.00 39.78 35.95 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 -5.02 3.47 0.97 1.20 -1.94 -1.17 -4.85 119.30 111.95 2kh2 s MET 130 Ca 0.09 -0.20 -0.12 0.00 -1.71 0.00 0.00 55.69 53.75 2kh2 s MET 130 Cb -0.04 -3.12 0.17 0.00 2.01 0.00 0.00 34.83 33.84 2kh2 s MET 130 CO 0.11 0.70 1.09 -2.14 -0.01 0.00 0.00 175.02 174.77 2kh2 s PRO 131 N -1.62 0.70 -0.16 2.03 0.02 -1.26 -0.29 135.00 134.42 2kh2 s PRO 131 Ca 0.24 0.70 -0.10 0.00 0.02 0.00 0.00 61.00 61.86 2kh2 s PRO 131 Cb -0.13 -1.75 -0.05 0.00 0.02 0.00 0.00 34.50 32.59 2kh2 s PRO 131 CO 0.14 -2.60 0.17 0.08 -0.33 0.00 0.00 177.00 174.46 2kh2 s VAL 132 N -2.90 5.41 0.32 3.83 1.01 -0.58 -4.50 120.40 122.97 2kh2 s VAL 132 Ca 0.65 0.28 0.06 0.00 0.00 0.00 0.00 61.98 62.97 2kh2 s VAL 132 Cb -0.19 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 2kh2 s VAL 132 CO 0.58 0.49 0.25 0.72 0.00 0.00 0.00 175.10 177.14 2kh2 s PHE 133 N -0.09 1.68 -0.23 5.22 -0.71 -0.92 -4.86 117.98 118.07 2kh2 s PHE 133 Ca 0.12 -1.60 -0.09 0.00 -1.04 0.00 0.00 56.93 54.31 2kh2 s PHE 133 Cb -0.12 -0.72 -0.04 0.00 -1.21 0.00 0.00 43.02 40.92 2kh2 s PHE 133 CO 0.01 -0.80 0.12 -1.17 -1.34 0.00 0.00 175.22 172.05 2kh2 s LEU 134 N -3.36 3.94 0.17 -1.99 2.96 -1.26 -0.27 118.68 118.87 2kh2 s LEU 134 Ca 0.39 0.05 0.06 0.00 -0.22 0.00 0.00 54.13 54.42 2kh2 s LEU 134 Cb 0.03 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 2kh2 s LEU 134 CO 0.25 0.07 -0.13 -0.83 -1.32 0.00 0.00 176.35 174.39 2kh2 s GLY 135 N 1.01 1.22 -0.01 7.98 0.00 0.44 -4.88 107.32 113.09 2kh2 s GLY 135 Ca 0.06 -1.53 0.05 0.00 0.00 0.00 0.00 44.72 43.30 2kh2 s GLY 135 CO 0.04 -1.63 1.12 0.61 0.00 0.00 0.00 173.10 173.24 2kh2 n GLY 136 N -0.16 2.97 2.75 0.20 0.00 -1.26 -0.13 105.19 109.56 2kh2 n GLY 136 Ca -0.10 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.10 5.20 -1.94 2.61 -1.04 -1.26 -4.94 114.28 112.80 2kh2 n THR 137 Ca 0.06 -5.09 -0.43 0.00 -2.04 0.00 0.00 64.05 56.55 2kh2 n THR 137 Cb 0.35 -2.05 -0.03 0.00 -1.82 0.00 0.00 70.33 66.78 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 -1.78 3.69 0.00 -2.82 2.20 -1.26 -1.42 119.74 118.34 2kh2 s LYS 138 Ca 0.41 1.85 0.00 0.00 -0.36 0.00 0.00 55.97 57.87 2kh2 s LYS 138 Cb 0.13 -4.13 0.00 0.00 -1.51 0.00 0.00 37.83 32.32 2kh2 s LYS 138 CO -0.02 -1.44 0.00 0.41 -0.36 0.00 0.00 175.35 173.94 2kh2 n GLY 139 N 4.91 0.82 0.00 5.54 0.00 -1.26 -5.07 105.19 110.13 2kh2 n GLY 139 Ca 0.21 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.32 1.58 0.18 -0.02 0.00 -0.51 -5.00 105.19 99.10 2kh2 n GLY 140 Ca 0.00 -1.82 -0.14 0.00 0.00 0.00 0.00 46.02 44.06 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 0.57 -7.00 1.61 7.50 -1.98 -3.44 115.11 112.36 2kh2 h GLN 141 Ca 0.00 -0.34 -0.50 0.00 0.50 0.00 0.00 58.65 58.31 2kh2 h GLN 141 Cb 0.00 0.03 0.05 0.00 0.05 0.00 0.00 27.48 27.61 2kh2 h GLN 141 CO 0.00 0.94 0.46 -0.51 -1.50 0.00 0.00 178.83 178.22 2kh2 s ASP 142 N -6.47 6.25 -0.01 1.46 1.01 -1.26 -4.65 116.67 113.00 2kh2 s ASP 142 Ca -0.13 2.23 -0.28 0.00 0.71 0.00 0.00 52.55 55.08 2kh2 s ASP 142 Cb 0.07 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.37 2kh2 s ASP 142 CO 0.81 -0.86 0.90 -0.63 0.21 0.00 0.00 175.17 175.60 2kh2 s ILE 143 N -1.60 4.88 -0.05 0.77 1.01 0.74 -4.67 121.20 122.28 2kh2 s ILE 143 Ca 0.63 1.89 0.03 0.00 0.00 0.00 0.00 60.65 63.21 2kh2 s ILE 143 Cb -0.27 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 37.91 2kh2 s ILE 143 CO 0.32 0.20 0.09 0.35 0.00 0.00 0.00 174.94 175.91 2kh2 n THR 144 N 3.74 0.00 -3.53 2.92 -2.24 -1.26 -1.05 114.28 112.84 2kh2 n THR 144 Ca 0.04 -0.17 -0.38 0.00 -2.27 0.00 0.00 64.05 61.26 2kh2 n THR 144 Cb 0.51 0.59 -0.06 0.00 -2.10 0.00 0.00 70.33 69.27 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 -2.08 6.77 0.34 3.42 -4.77 -1.26 -4.27 116.67 114.81 2kh2 s ASP 145 Ca -0.01 0.92 0.03 0.00 -3.30 0.00 0.00 52.55 50.20 2kh2 s ASP 145 Cb 0.02 -2.23 -0.04 0.00 -1.09 0.00 0.00 42.92 39.58 2kh2 s ASP 145 CO 0.14 0.33 0.14 -0.36 0.70 0.00 0.00 175.17 176.11 2kh2 s PHE 146 N -1.09 1.70 0.07 2.11 0.08 0.18 -2.92 117.98 118.12 2kh2 s PHE 146 Ca 0.23 -1.29 0.07 0.00 0.12 0.00 0.00 56.93 56.06 2kh2 s PHE 146 Cb -0.16 -1.00 -0.03 0.00 -0.57 0.00 0.00 43.02 41.26 2kh2 s PHE 146 CO 0.13 -0.39 -0.18 0.99 -0.10 0.00 0.00 175.22 175.67 2kh2 s THR 147 N -3.45 1.47 -0.18 0.64 2.01 0.22 -0.10 115.64 116.25 2kh2 s THR 147 Ca 0.32 -1.31 -0.04 0.00 0.31 0.00 0.00 61.69 60.97 2kh2 s THR 147 Cb 0.05 -1.34 -0.02 0.00 0.01 0.00 0.00 72.50 71.20 2kh2 s THR 147 CO 0.16 -0.02 -0.02 -0.04 -0.69 0.00 0.00 174.62 174.02 2kh2 s MET 148 N -1.56 3.60 -0.26 4.92 -1.94 -1.26 -2.21 119.30 120.59 2kh2 s MET 148 Ca 0.04 -0.54 0.02 0.00 -1.71 0.00 0.00 55.69 53.50 2kh2 s MET 148 Cb -0.09 -3.00 0.07 0.00 2.01 0.00 0.00 34.83 33.82 2kh2 s MET 148 CO 0.03 0.07 -0.07 -0.65 -0.01 0.00 0.00 175.02 174.39 2kh2 s GLN 149 N 0.82 1.89 0.29 2.03 1.11 -0.61 -4.97 119.66 120.22 2kh2 s GLN 149 Ca -0.00 -1.28 -0.29 0.00 0.01 0.00 0.00 55.36 53.79 2kh2 s GLN 149 Cb -0.14 -2.80 -0.10 0.00 -1.01 0.00 0.00 33.01 28.96 2kh2 s GLN 149 CO 0.02 -0.64 1.27 -0.06 0.01 0.00 0.00 175.29 175.89 2kh2 s PHE 150 N 1.19 3.20 0.35 0.91 0.08 -1.26 -0.89 117.98 121.57 2kh2 s PHE 150 Ca -0.05 1.41 0.03 0.00 0.12 0.00 0.00 56.93 58.45 2kh2 s PHE 150 Cb -0.19 -3.59 -0.04 0.00 -0.57 0.00 0.00 43.02 38.63 2kh2 s PHE 150 CO -0.06 -1.63 0.12 0.14 -0.10 0.00 0.00 175.22 173.69 2kh2 s VAL 151 N -0.80 0.63 0.35 -0.44 -7.23 -1.21 -4.93 120.40 106.78 2kh2 s VAL 151 Ca 0.50 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.75 2kh2 s VAL 151 Cb -0.37 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.02 2kh2 s VAL 151 CO 0.47 0.00 0.27 -0.94 -0.31 0.00 0.00 175.10 174.59 2kh2 s SER 152 N -3.49 5.13 0.00 4.85 1.04 -1.26 -4.75 113.70 115.22 2kh2 s SER 152 Ca 0.31 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.15 2kh2 s SER 152 Cb 0.05 -0.86 0.00 0.00 0.10 0.00 0.00 66.02 65.31 2kh2 s SER 152 CO 0.16 -0.39 0.00 -1.20 0.98 0.00 0.00 173.24 172.79