#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 -0.02 -5.40 0.00 0.11 -2.07 -3.44 132.00 121.18 2kh2 h PRO 2 Ca 0.00 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.43 2kh2 h PRO 2 Cb 0.00 0.01 -0.32 0.00 0.11 0.00 0.00 31.00 30.80 2kh2 h PRO 2 CO 0.00 0.62 -0.86 0.54 -0.21 0.00 0.00 178.00 178.09 2kh2 s VAL 3 N -3.52 2.25 0.26 3.15 0.11 -1.26 -5.12 120.40 116.28 2kh2 s VAL 3 Ca -0.16 -0.96 -0.23 0.00 -2.93 0.00 0.00 61.98 57.69 2kh2 s VAL 3 Cb 0.00 -1.87 -0.09 0.00 -1.53 0.00 0.00 36.38 32.89 2kh2 s VAL 3 CO 0.66 0.55 0.84 -0.13 -3.33 0.00 0.00 175.10 173.69 2kh2 s ARG 4 N 0.29 4.46 -0.14 1.54 0.52 -1.26 -4.97 118.95 119.38 2kh2 s ARG 4 Ca -0.16 1.13 -0.09 0.00 -0.52 0.00 0.00 55.73 56.09 2kh2 s ARG 4 Cb -0.17 -2.89 0.05 0.00 0.52 0.00 0.00 34.95 32.45 2kh2 s ARG 4 CO 0.08 0.36 0.34 -1.12 0.02 0.00 0.00 175.30 174.98 2kh2 s SER 5 N -1.57 -0.39 0.14 0.23 0.01 -1.26 -1.76 113.70 109.09 2kh2 s SER 5 Ca 0.46 0.72 0.07 0.00 1.31 0.00 0.00 55.95 58.50 2kh2 s SER 5 Cb -0.18 0.63 -0.04 0.00 0.21 0.00 0.00 66.02 66.64 2kh2 s SER 5 CO 0.23 -0.17 -0.02 -1.48 0.41 0.00 0.00 173.24 172.22 2kh2 s LEU 6 N 1.05 3.31 -0.12 2.44 2.34 -0.26 -4.90 118.68 122.55 2kh2 s LEU 6 Ca -0.07 -0.34 0.02 0.00 0.06 0.00 0.00 54.13 53.80 2kh2 s LEU 6 Cb -0.08 -2.01 -0.01 0.00 -0.56 0.00 0.00 46.19 43.54 2kh2 s LEU 6 CO -0.08 0.13 -0.18 0.20 -1.06 0.00 0.00 176.35 175.35 2kh2 s ASN 7 N -2.66 3.55 0.31 1.48 0.01 -1.26 -0.02 114.94 116.35 2kh2 s ASN 7 Ca 0.26 -0.45 -0.18 0.00 -0.71 0.00 0.00 52.86 51.78 2kh2 s ASN 7 Cb -0.10 -1.51 0.03 0.00 0.41 0.00 0.00 41.25 40.07 2kh2 s ASN 7 CO 0.18 0.15 0.69 0.00 -1.51 0.00 0.00 177.10 176.61 2kh2 s THR 9 N -3.46 3.37 -0.10 0.00 -4.23 -0.13 -0.84 115.64 110.26 2kh2 s THR 9 Ca 0.15 -1.33 0.00 0.00 -1.18 0.00 0.00 61.69 59.33 2kh2 s THR 9 Cb -0.05 -2.60 -0.02 0.00 1.34 0.00 0.00 72.50 71.17 2kh2 s THR 9 CO 0.09 0.07 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.38 2kh2 s LEU 10 N -2.34 2.93 -0.01 4.79 1.43 -1.26 -1.17 118.68 123.05 2kh2 s LEU 10 Ca 0.22 -0.19 -0.02 0.00 -1.03 0.00 0.00 54.13 53.12 2kh2 s LEU 10 Cb -0.11 -1.65 0.00 0.00 0.03 0.00 0.00 46.19 44.46 2kh2 s LEU 10 CO 0.14 0.25 0.05 -0.60 0.23 0.00 0.00 176.35 176.42 2kh2 s ARG 11 N -0.16 0.13 0.77 1.70 3.52 -1.07 -3.70 118.95 120.13 2kh2 s ARG 11 Ca 0.01 -0.07 -0.06 0.00 -0.13 0.00 0.00 55.73 55.48 2kh2 s ARG 11 Cb -0.13 0.06 0.12 0.00 -1.56 0.00 0.00 34.95 33.44 2kh2 s ARG 11 CO 0.03 -0.02 1.07 0.16 -0.81 0.00 0.00 175.30 175.72 2kh2 s ASP 12 N -0.31 4.22 0.09 -2.12 1.47 -0.70 0.12 116.67 119.42 2kh2 s ASP 12 Ca -0.04 0.02 0.14 0.00 1.18 0.00 0.00 52.55 53.85 2kh2 s ASP 12 Cb -0.02 -0.42 0.62 0.00 -0.34 0.00 0.00 42.92 42.76 2kh2 s ASP 12 CO 0.00 -1.97 1.44 -1.54 0.68 0.00 0.00 175.17 173.78 2kh2 n SER 13 N -3.06 0.20 -1.35 2.11 3.41 -1.26 -1.66 113.62 112.01 2kh2 n SER 13 Ca 0.13 0.56 0.10 0.00 -0.26 0.00 0.00 58.87 59.40 2kh2 n SER 13 Cb 0.60 -0.60 0.32 0.00 -0.26 0.00 0.00 64.21 64.27 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 -1.73 2.90 -1.09 4.33 1.13 -1.26 -4.92 117.38 116.74 2kh2 n GLN 14 Ca 0.02 -2.55 -0.03 0.00 -1.94 0.00 0.00 57.00 52.49 2kh2 n GLN 14 Cb 0.13 -1.64 -0.01 0.00 0.11 0.00 0.00 30.24 28.83 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 1.39 -0.81 -2.95 -1.09 1.13 -0.66 -4.97 117.38 109.42 2kh2 n GLN 15 Ca 0.24 0.43 -0.37 0.00 -1.94 0.00 0.00 57.00 55.35 2kh2 n GLN 15 Cb 0.66 -4.17 -0.06 0.00 0.11 0.00 0.00 30.24 26.78 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 -1.53 4.43 0.20 -1.09 1.02 -1.26 -4.00 119.74 117.51 2kh2 s LYS 16 Ca 0.00 1.10 0.10 0.00 0.02 0.00 0.00 55.97 57.18 2kh2 s LYS 16 Cb 0.00 -2.88 -0.04 0.00 -0.52 0.00 0.00 37.83 34.38 2kh2 s LYS 16 CO 0.00 0.36 -0.12 -1.12 -0.92 0.00 0.00 175.35 173.55 2kh2 s SER 17 N -1.59 4.08 -0.15 2.83 0.01 0.86 -1.72 113.70 118.03 2kh2 s SER 17 Ca 0.45 -0.67 -0.22 0.00 1.31 0.00 0.00 55.95 56.83 2kh2 s SER 17 Cb -0.18 -0.62 -0.03 0.00 0.21 0.00 0.00 66.02 65.40 2kh2 s SER 17 CO 0.23 0.09 0.65 -0.76 0.41 0.00 0.00 173.24 173.86 2kh2 s LEU 18 N -2.93 4.21 0.10 2.44 1.43 -1.24 -1.74 118.68 120.95 2kh2 s LEU 18 Ca 0.25 0.96 0.08 0.00 -1.03 0.00 0.00 54.13 54.39 2kh2 s LEU 18 Cb -0.08 -2.95 -0.03 0.00 0.03 0.00 0.00 46.19 43.15 2kh2 s LEU 18 CO 0.15 -0.21 -0.20 0.68 0.23 0.00 0.00 176.35 177.00 2kh2 s VAL 19 N 1.48 1.63 -0.19 -1.59 -7.23 0.74 -3.48 120.40 111.75 2kh2 s VAL 19 Ca 0.32 -1.55 -0.28 0.00 -1.81 0.00 0.00 61.98 58.66 2kh2 s VAL 19 Cb -0.16 -1.51 -0.00 0.00 0.56 0.00 0.00 36.38 35.26 2kh2 s VAL 19 CO 0.13 -0.12 0.97 -0.04 -0.31 0.00 0.00 175.10 175.73 2kh2 s MET 20 N -1.98 4.29 0.00 4.82 -1.94 -1.26 -0.61 119.30 122.61 2kh2 s MET 20 Ca 0.06 1.25 0.00 0.00 -1.71 0.00 0.00 55.69 55.29 2kh2 s MET 20 Cb -0.09 -3.61 0.00 0.00 2.01 0.00 0.00 34.83 33.14 2kh2 s MET 20 CO 0.04 -0.50 0.00 0.45 -0.01 0.00 0.00 175.02 175.00 2kh2 n SER 21 N 5.81 0.00 -2.96 3.03 2.88 0.50 -4.93 113.62 117.95 2kh2 n SER 21 Ca 0.09 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.56 2kh2 n SER 21 Cb 0.47 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.96 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 2.72 1.38 0.30 0.46 0.00 -1.19 -4.93 105.19 103.93 2kh2 n GLY 22 Ca 0.00 -2.08 0.10 0.00 0.00 0.00 0.00 46.02 44.04 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 0.11 -0.36 1.61 0.13 -2.03 -2.94 132.00 128.51 2kh2 h PRO 23 Ca -0.10 -0.01 -0.27 0.00 -0.87 0.00 0.00 66.00 64.75 2kh2 h PRO 23 Cb 0.43 -0.02 -0.36 0.00 0.13 0.00 0.00 31.00 31.18 2kh2 h PRO 23 CO 0.13 0.07 -0.95 0.66 -0.23 0.00 0.00 178.00 177.68 2kh2 n TYR 24 N -4.50 1.20 -4.13 1.56 4.01 -1.26 -5.03 117.16 109.01 2kh2 n TYR 24 Ca 0.01 -1.73 -0.18 0.00 -0.16 0.00 0.00 57.90 55.84 2kh2 n TYR 24 Cb 0.20 -0.24 -0.16 0.00 -0.31 0.00 0.00 39.34 38.83 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 -2.88 0.62 -0.05 -0.72 2.12 -1.11 -4.26 118.70 112.42 2kh2 s GLU 25 Ca 0.36 -0.10 0.06 0.00 0.36 0.00 0.00 54.97 55.65 2kh2 s GLU 25 Cb 0.36 -0.65 -0.02 0.00 0.26 0.00 0.00 34.13 34.09 2kh2 s GLU 25 CO -0.05 -0.03 -0.23 -0.51 -0.54 0.00 0.00 175.26 173.90 2kh2 s LEU 26 N 0.62 2.19 0.13 2.70 1.43 -1.26 -0.37 118.68 124.12 2kh2 s LEU 26 Ca -0.08 -0.44 0.09 0.00 -1.03 0.00 0.00 54.13 52.67 2kh2 s LEU 26 Cb -0.11 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 2kh2 s LEU 26 CO -0.00 0.28 -0.21 -0.54 0.23 0.00 0.00 176.35 176.11 2kh2 s LYS 27 N -0.36 1.21 -0.21 1.70 1.02 0.22 -1.92 119.74 121.40 2kh2 s LYS 27 Ca 0.02 -1.27 -0.02 0.00 0.02 0.00 0.00 55.97 54.72 2kh2 s LYS 27 Cb -0.12 -1.45 0.01 0.00 -0.52 0.00 0.00 37.83 35.75 2kh2 s LYS 27 CO 0.02 0.32 -0.09 0.00 -0.92 0.00 0.00 175.35 174.68 2kh2 s ALA 28 N -1.42 2.66 0.16 5.17 0.00 0.50 -0.18 121.76 128.64 2kh2 s ALA 28 Ca 0.10 -1.24 -0.08 0.00 0.00 0.00 0.00 51.96 50.75 2kh2 s ALA 28 Cb -0.09 -1.56 -0.01 0.00 0.00 0.00 0.00 23.12 21.46 2kh2 s ALA 28 CO 0.05 -0.48 0.24 -0.48 0.00 0.00 0.00 175.76 175.10 2kh2 s LEU 29 N 1.40 1.11 -0.18 0.00 0.05 -0.71 -2.74 118.68 117.60 2kh2 s LEU 29 Ca 0.05 -0.92 -0.29 0.00 0.05 0.00 0.00 54.13 53.01 2kh2 s LEU 29 Cb -0.14 1.04 -0.03 0.00 -2.05 0.00 0.00 46.19 45.00 2kh2 s LEU 29 CO -0.06 -0.86 1.61 -1.00 -0.55 0.00 0.00 176.35 175.49 2kh2 s HIS 30 N -3.98 2.11 -0.35 3.48 3.76 -1.26 -0.10 115.29 118.95 2kh2 s HIS 30 Ca 0.18 0.50 0.01 0.00 -0.15 0.00 0.00 55.06 55.59 2kh2 s HIS 30 Cb 0.04 -3.94 0.09 0.00 1.11 0.00 0.00 32.58 29.89 2kh2 s HIS 30 CO -0.00 -3.08 0.08 -1.17 -0.85 0.00 0.00 174.74 169.73 2kh2 s LEU 31 N 4.88 4.71 0.00 0.89 2.96 -1.26 -4.92 118.68 125.94 2kh2 s LEU 31 Ca 0.71 -1.93 0.00 0.00 -0.22 0.00 0.00 54.13 52.69 2kh2 s LEU 31 Cb -0.27 -1.70 0.00 0.00 0.50 0.00 0.00 46.19 44.72 2kh2 s LEU 31 CO 0.28 -0.41 0.00 0.00 -1.32 0.00 0.00 176.35 174.91 2kh2 n GLN 32 N 4.44 1.80 0.00 1.98 1.13 -1.26 -4.75 117.38 120.71 2kh2 n GLN 32 Ca -0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 2kh2 n GLN 32 Cb 0.42 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.77 2kh2 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2kh2 n GLY 33 N 4.15 1.82 2.09 1.08 0.00 -1.26 -2.36 105.19 110.71 2kh2 n GLY 33 Ca 0.00 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 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 7.62 3.20 0.00 1.61 -0.06 -1.26 -3.96 117.38 124.53 2kh2 n GLN 34 Ca 0.00 -3.02 0.11 0.00 -2.00 0.00 0.00 57.00 52.10 2kh2 n GLN 34 Cb 0.00 -2.20 0.09 0.00 -4.06 0.00 0.00 30.24 24.07 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 -0.48 2.86 -0.59 1.69 9.92 -0.99 -4.38 116.55 124.57 2kh2 n ASP 35 Ca 0.47 -1.93 0.00 0.00 -0.53 0.00 0.00 54.79 52.81 2kh2 n ASP 35 Cb 1.49 0.03 0.00 0.00 -0.64 0.00 0.00 41.12 42.00 2kh2 n ASP 35 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 2kh2 n MET 36 N 1.21 0.95 0.04 -1.24 1.56 -1.24 -3.30 117.12 115.09 2kh2 n MET 36 Ca 0.13 0.00 0.12 0.00 -0.27 0.00 0.00 57.70 57.68 2kh2 n MET 36 Cb 0.57 -1.39 0.26 0.00 2.15 0.00 0.00 33.22 34.80 2kh2 n MET 36 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 2kh2 n GLU 37 N 0.12 0.16 -0.21 2.12 -0.58 -1.26 -3.52 120.64 117.47 2kh2 n GLU 37 Ca 0.00 0.05 0.04 0.00 -0.42 0.00 0.00 57.16 56.83 2kh2 n GLU 37 Cb 0.28 -1.61 0.14 0.00 -0.57 0.00 0.00 31.44 29.68 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 -1.84 1.94 -1.69 3.49 6.02 -1.21 -4.86 117.38 119.22 2kh2 n GLN 38 Ca 0.05 -1.08 -0.38 0.00 -0.01 0.00 0.00 57.00 55.57 2kh2 n GLN 38 Cb 0.39 -1.42 -0.03 0.00 1.02 0.00 0.00 30.24 30.21 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 -1.64 2.45 0.22 -1.09 -2.07 -1.23 -4.72 119.66 111.58 2kh2 s GLN 39 Ca 0.20 1.35 -0.31 0.00 -1.82 0.00 0.00 55.36 54.78 2kh2 s GLN 39 Cb 0.12 -4.49 -0.10 0.00 -1.09 0.00 0.00 33.01 27.45 2kh2 s GLN 39 CO 0.11 -2.89 1.50 0.08 -1.32 0.00 0.00 175.29 172.77 2kh2 s VAL 40 N 10.61 2.61 -0.20 3.63 1.01 -1.23 -4.99 120.40 131.84 2kh2 s VAL 40 Ca 0.91 0.48 -0.08 0.00 0.00 0.00 0.00 61.98 63.28 2kh2 s VAL 40 Cb -0.19 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 2kh2 s VAL 40 CO 0.27 0.06 0.09 -0.69 0.00 0.00 0.00 175.10 174.83 2kh2 s VAL 41 N 0.44 4.96 -0.16 2.92 1.01 -1.26 -4.40 120.40 123.91 2kh2 s VAL 41 Ca 0.64 0.03 -0.06 0.00 0.00 0.00 0.00 61.98 62.59 2kh2 s VAL 41 Cb -0.43 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2kh2 s VAL 41 CO 0.39 0.43 0.04 -0.36 0.00 0.00 0.00 175.10 175.60 2kh2 s PHE 42 N 0.56 3.23 -0.26 5.22 0.08 -0.02 -1.14 117.98 125.65 2kh2 s PHE 42 Ca 0.05 0.06 -0.22 0.00 0.12 0.00 0.00 56.93 56.94 2kh2 s PHE 42 Cb -0.12 -2.01 -0.01 0.00 -0.57 0.00 0.00 43.02 40.31 2kh2 s PHE 42 CO 0.01 0.21 0.70 -1.12 -0.10 0.00 0.00 175.22 174.92 2kh2 s SER 43 N 0.08 6.65 -0.49 1.36 0.01 0.33 -2.69 113.70 118.95 2kh2 s SER 43 Ca 0.04 0.77 -0.11 0.00 1.31 0.00 0.00 55.95 57.97 2kh2 s SER 43 Cb -0.12 -2.37 0.12 0.00 0.21 0.00 0.00 66.02 63.86 2kh2 s SER 43 CO 0.01 -0.44 0.38 -0.04 0.41 0.00 0.00 173.24 173.56 2kh2 s MET 44 N 2.65 2.61 0.11 12.44 -1.94 0.98 -3.21 119.30 132.93 2kh2 s MET 44 Ca 0.29 -1.74 -0.17 0.00 -1.71 0.00 0.00 55.69 52.36 2kh2 s MET 44 Cb -0.15 -4.02 -0.07 0.00 2.01 0.00 0.00 34.83 32.60 2kh2 s MET 44 CO 0.09 -1.22 0.56 -1.12 -0.01 0.00 0.00 175.02 173.31 2kh2 s SER 45 N 2.89 6.95 -0.92 3.03 0.01 -1.24 -1.10 113.70 123.32 2kh2 s SER 45 Ca 0.05 1.17 -0.24 0.00 1.31 0.00 0.00 55.95 58.24 2kh2 s SER 45 Cb -0.27 -2.32 0.04 0.00 0.21 0.00 0.00 66.02 63.68 2kh2 s SER 45 CO 0.00 0.19 1.39 -0.36 0.41 0.00 0.00 173.24 174.87 2kh2 s PHE 46 N -1.28 2.45 0.71 2.43 0.08 -0.72 -1.99 117.98 119.65 2kh2 s PHE 46 Ca 0.33 -0.56 -0.11 0.00 0.12 0.00 0.00 56.93 56.70 2kh2 s PHE 46 Cb -0.17 -4.67 0.01 0.00 -0.57 0.00 0.00 43.02 37.62 2kh2 s PHE 46 CO 0.19 -1.98 1.07 0.14 -0.10 0.00 0.00 175.22 174.53 2kh2 s VAL 47 N 5.23 3.83 -0.81 -0.44 -7.23 -1.08 -4.84 120.40 115.07 2kh2 s VAL 47 Ca 0.42 0.60 -0.20 0.00 -1.81 0.00 0.00 61.98 60.99 2kh2 s VAL 47 Cb -0.03 -3.44 0.11 0.00 0.56 0.00 0.00 36.38 33.58 2kh2 s VAL 47 CO -0.01 -0.78 1.04 -1.58 -0.31 0.00 0.00 175.10 173.46 2kh2 s GLN 48 N -5.16 3.39 0.00 4.82 2.00 -0.85 -4.80 119.66 119.07 2kh2 s GLN 48 Ca 0.58 -1.43 0.00 0.00 -2.00 0.00 0.00 55.36 52.51 2kh2 s GLN 48 Cb -0.13 -4.64 0.00 0.00 0.80 0.00 0.00 33.01 29.04 2kh2 s GLN 48 CO 0.54 -1.77 0.00 0.41 -0.50 0.00 0.00 175.29 173.97 2kh2 n GLY 49 N 5.42 5.04 3.51 2.59 0.00 -1.26 -4.92 105.19 115.57 2kh2 n GLY 49 Ca 0.12 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 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 4.44 3.89 -0.06 1.61 0.41 -1.26 -4.99 118.70 122.74 2kh2 s GLU 50 Ca 0.00 -2.04 -0.30 0.00 -0.41 0.00 0.00 54.97 52.22 2kh2 s GLU 50 Cb 0.00 -5.21 -0.04 0.00 -1.78 0.00 0.00 34.13 27.11 2kh2 s GLU 50 CO 0.00 -1.97 1.29 -2.00 -0.49 0.00 0.00 175.26 172.09 2kh2 s GLU 51 N 3.03 4.30 0.30 1.61 2.12 -1.26 -4.36 118.70 124.43 2kh2 s GLU 51 Ca 0.44 1.77 0.05 0.00 0.36 0.00 0.00 54.97 57.59 2kh2 s GLU 51 Cb -0.01 -3.63 -0.03 0.00 0.26 0.00 0.00 34.13 30.72 2kh2 s GLU 51 CO -0.01 -0.55 0.23 -1.12 -0.54 0.00 0.00 175.26 173.27 2kh2 s SER 52 N 1.78 1.30 0.12 -1.70 0.01 -0.51 -5.03 113.70 109.67 2kh2 s SER 52 Ca 0.58 -1.66 0.11 0.00 1.31 0.00 0.00 55.95 56.29 2kh2 s SER 52 Cb -0.26 0.51 -0.15 0.00 0.21 0.00 0.00 66.02 66.33 2kh2 s SER 52 CO 0.22 -1.00 1.17 -1.13 0.41 0.00 0.00 173.24 172.91 2kh2 h ASN 53 N 2.26 0.00 0.00 2.44 -0.00 -2.01 -3.38 115.58 114.89 2kh2 h ASN 53 Ca -0.28 0.00 -0.37 0.00 -0.00 0.00 0.00 56.30 55.65 2kh2 h ASN 53 Cb 1.24 0.00 -0.07 0.00 -0.00 0.00 0.00 38.32 39.49 2kh2 h ASN 53 CO 0.41 0.85 -2.38 -0.90 -0.00 0.00 0.00 177.43 175.42 2kh2 n ASP 54 N -3.23 2.09 -4.64 1.15 5.75 -1.26 -4.92 116.55 111.50 2kh2 n ASP 54 Ca -0.03 -0.09 -0.38 0.00 -0.01 0.00 0.00 54.79 54.28 2kh2 n ASP 54 Cb 0.91 -0.42 -0.09 0.00 -1.03 0.00 0.00 41.12 40.48 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 -2.48 4.05 -0.19 0.11 1.02 -1.26 -2.09 119.74 118.90 2kh2 s LYS 55 Ca -0.33 -0.16 -0.00 0.00 0.02 0.00 0.00 55.97 55.50 2kh2 s LYS 55 Cb 0.09 -3.59 0.01 0.00 -0.52 0.00 0.00 37.83 33.82 2kh2 s LYS 55 CO 0.55 -0.07 -0.15 0.42 -0.92 0.00 0.00 175.35 175.18 2kh2 s ILE 56 N 1.43 2.49 -0.38 2.17 -1.09 0.03 -1.42 121.20 124.43 2kh2 s ILE 56 Ca 0.10 -0.80 -0.27 0.00 -2.23 0.00 0.00 60.65 57.46 2kh2 s ILE 56 Cb -0.15 -2.08 0.02 0.00 -1.58 0.00 0.00 42.46 38.67 2kh2 s ILE 56 CO 0.07 0.50 1.00 -2.16 -1.23 0.00 0.00 174.94 173.13 2kh2 s PRO 57 N 1.32 3.87 0.12 2.79 0.05 -1.26 -0.26 135.00 141.64 2kh2 s PRO 57 Ca 0.05 0.70 -0.01 0.00 0.05 0.00 0.00 61.00 61.79 2kh2 s PRO 57 Cb -0.14 -3.81 -0.04 0.00 0.05 0.00 0.00 34.50 30.57 2kh2 s PRO 57 CO -0.09 -1.01 0.04 0.14 0.05 0.00 0.00 177.00 176.12 2kh2 s VAL 58 N 3.69 0.16 0.09 -0.36 -7.23 -0.59 -2.62 120.40 113.55 2kh2 s VAL 58 Ca 0.42 -1.90 0.01 0.00 -1.81 0.00 0.00 61.98 58.70 2kh2 s VAL 58 Cb -0.11 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 2kh2 s VAL 58 CO 0.20 -0.54 0.19 0.00 -0.31 0.00 0.00 175.10 174.65 2kh2 s ALA 59 N -4.00 3.87 -0.33 1.32 0.00 -0.84 -1.03 121.76 120.75 2kh2 s ALA 59 Ca 0.22 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 51.27 2kh2 s ALA 59 Cb 0.07 -1.70 0.10 0.00 0.00 0.00 0.00 23.12 21.59 2kh2 s ALA 59 CO 0.00 0.73 0.06 -0.51 0.00 0.00 0.00 175.76 176.05 2kh2 s LEU 60 N -2.67 4.21 0.11 0.00 1.43 -1.26 -3.66 118.68 116.85 2kh2 s LEU 60 Ca 0.33 -2.04 0.05 0.00 -1.03 0.00 0.00 54.13 51.44 2kh2 s LEU 60 Cb -0.12 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 2kh2 s LEU 60 CO 0.26 -0.39 -0.12 -0.83 0.23 0.00 0.00 176.35 175.50 2kh2 s GLY 61 N 1.06 0.99 0.17 -3.19 0.00 -1.20 -0.68 107.32 104.47 2kh2 s GLY 61 Ca 0.11 -1.26 -0.30 0.00 0.00 0.00 0.00 44.72 43.26 2kh2 s GLY 61 CO -0.12 -1.32 1.21 1.08 0.00 0.00 0.00 173.10 173.95 2kh2 s LEU 62 N -2.47 4.43 0.30 0.66 1.02 -0.10 -0.51 118.68 122.01 2kh2 s LEU 62 Ca 0.08 2.22 -0.30 0.00 0.02 0.00 0.00 54.13 56.15 2kh2 s LEU 62 Cb -0.04 -3.60 -0.12 0.00 0.02 0.00 0.00 46.19 42.45 2kh2 s LEU 62 CO 0.02 -0.41 1.46 1.17 0.02 0.00 0.00 176.35 178.61 2kh2 n LYS 63 N 2.76 2.35 -1.69 1.70 4.81 -0.29 -1.88 118.16 125.93 2kh2 n LYS 63 Ca 0.05 0.83 -0.14 0.00 -0.87 0.00 0.00 58.31 58.18 2kh2 n LYS 63 Cb 0.45 -2.53 -0.05 0.00 0.02 0.00 0.00 35.03 32.92 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 1.58 -1.52 -4.18 1.64 0.00 -1.26 -4.94 120.64 111.95 2kh2 n GLU 64 Ca 0.08 0.81 -0.13 0.00 0.00 0.00 0.00 57.16 57.92 2kh2 n GLU 64 Cb 0.35 -5.18 -0.10 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 -3.71 0.87 -0.08 3.44 1.02 -0.79 -5.03 119.74 115.46 2kh2 s LYS 65 Ca 0.00 -1.24 0.14 0.00 0.02 0.00 0.00 55.97 54.89 2kh2 s LYS 65 Cb 0.00 -0.46 0.54 0.00 -0.52 0.00 0.00 37.83 37.39 2kh2 s LYS 65 CO 0.00 0.06 1.42 0.27 -0.92 0.00 0.00 175.35 176.17 2kh2 n ASN 66 N 0.31 3.64 -4.61 2.83 6.94 -1.26 -4.52 115.26 118.60 2kh2 n ASN 66 Ca -0.14 -2.30 -0.41 0.00 -0.02 0.00 0.00 54.58 51.71 2kh2 n ASN 66 Cb 0.59 -0.49 -0.07 0.00 -2.36 0.00 0.00 39.78 37.45 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 -1.46 4.12 0.06 -4.53 1.43 -1.26 -1.53 118.68 115.51 2kh2 s LEU 67 Ca 0.39 0.49 0.09 0.00 -1.03 0.00 0.00 54.13 54.06 2kh2 s LEU 67 Cb 0.24 -2.79 -0.03 0.00 0.03 0.00 0.00 46.19 43.65 2kh2 s LEU 67 CO 0.19 -0.42 -0.24 -0.31 0.23 0.00 0.00 176.35 175.80 2kh2 s TYR 68 N 2.53 2.09 0.04 0.29 1.51 -0.32 -0.92 117.35 122.56 2kh2 s TYR 68 Ca 0.24 -0.39 -0.31 0.00 -1.01 0.00 0.00 57.07 55.60 2kh2 s TYR 68 Cb -0.15 -1.23 -0.06 0.00 -0.11 0.00 0.00 41.96 40.41 2kh2 s TYR 68 CO 0.11 0.14 1.31 -0.51 -1.11 0.00 0.00 175.55 175.48 2kh2 s LEU 69 N -1.34 4.34 0.02 -1.29 1.43 0.14 -0.37 118.68 121.61 2kh2 s LEU 69 Ca 0.10 2.10 0.04 0.00 -1.03 0.00 0.00 54.13 55.34 2kh2 s LEU 69 Cb -0.10 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.54 2kh2 s LEU 69 CO 0.02 -0.60 -0.12 -0.55 0.23 0.00 0.00 176.35 175.33 2kh2 s SER 70 N 1.37 1.46 -0.30 2.29 0.15 0.51 -4.54 113.70 114.65 2kh2 s SER 70 Ca 0.61 -0.35 -0.07 0.00 0.70 0.00 0.00 55.95 56.84 2kh2 s SER 70 Cb -0.31 -0.11 0.01 0.00 -1.71 0.00 0.00 66.02 63.89 2kh2 s SER 70 CO 0.28 0.06 0.08 0.00 1.20 0.00 0.00 173.24 174.86 2kh2 s VAL 72 N 1.51 0.96 -0.27 0.00 -7.23 -0.49 -4.72 120.40 110.15 2kh2 s VAL 72 Ca 0.03 -2.02 -0.12 0.00 -1.81 0.00 0.00 61.98 58.06 2kh2 s VAL 72 Cb -0.17 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.23 2kh2 s VAL 72 CO 0.03 -0.20 0.23 -0.76 -0.31 0.00 0.00 175.10 174.09 2kh2 s LEU 73 N -3.34 4.04 -0.05 1.32 1.43 -1.26 0.26 118.68 121.08 2kh2 s LEU 73 Ca 0.32 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 2kh2 s LEU 73 Cb 0.07 -2.19 0.03 0.00 0.03 0.00 0.00 46.19 44.12 2kh2 s LEU 73 CO 0.11 -0.07 -0.02 -0.54 0.23 0.00 0.00 176.35 176.07 2kh2 s LYS 74 N 1.74 0.58 -1.31 1.70 1.02 -0.45 -4.81 119.74 118.22 2kh2 s LYS 74 Ca 0.09 0.02 -0.06 0.00 0.02 0.00 0.00 55.97 56.04 2kh2 s LYS 74 Cb -0.16 -0.75 0.01 0.00 -0.52 0.00 0.00 37.83 36.41 2kh2 s LYS 74 CO 0.10 -0.16 1.12 -3.47 -0.92 0.00 0.00 175.35 172.02 2kh2 n ASP 75 N 4.39 -4.87 -1.72 2.83 -0.08 -1.26 -1.70 116.55 114.14 2kh2 n ASP 75 Ca -0.20 -0.57 -0.18 0.00 -1.51 0.00 0.00 54.79 52.33 2kh2 n ASP 75 Cb 0.50 -5.06 -0.06 0.00 2.34 0.00 0.00 41.12 38.84 2kh2 n ASP 75 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2kh2 n ASP 76 N -3.06 -4.86 -3.82 1.67 2.03 -1.26 -4.95 116.55 102.30 2kh2 n ASP 76 Ca -0.09 0.36 -0.16 0.00 0.52 0.00 0.00 54.79 55.41 2kh2 n ASP 76 Cb 0.60 -4.29 -0.16 0.00 -0.72 0.00 0.00 41.12 36.55 2kh2 n ASP 76 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2kh2 s LYS 77 N -3.86 0.26 0.01 -0.67 2.47 -0.69 -5.11 119.74 112.15 2kh2 s LYS 77 Ca 0.00 0.07 -0.30 0.00 -1.56 0.00 0.00 55.97 54.18 2kh2 s LYS 77 Cb 0.00 -0.43 -0.09 0.00 -1.46 0.00 0.00 37.83 35.85 2kh2 s LYS 77 CO 0.00 -0.12 1.99 -2.30 0.16 0.00 0.00 175.35 175.08 2kh2 n PRO 78 N 4.04 2.75 -4.89 4.03 -0.02 -1.26 -1.34 135.00 138.31 2kh2 n PRO 78 Ca -0.26 1.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.96 2kh2 n PRO 78 Cb 0.51 -3.00 -0.15 0.00 -0.02 0.00 0.00 33.50 30.83 2kh2 n PRO 78 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2kh2 s THR 79 N 4.75 1.47 0.12 3.45 2.01 0.14 -4.72 115.64 122.85 2kh2 s THR 79 Ca 0.90 -0.80 -0.12 0.00 0.31 0.00 0.00 61.69 61.98 2kh2 s THR 79 Cb -0.45 -1.22 -0.06 0.00 0.01 0.00 0.00 72.50 70.78 2kh2 s THR 79 CO 0.42 0.41 0.49 -0.22 -0.69 0.00 0.00 174.62 175.03 2kh2 s LEU 80 N -0.46 4.33 0.37 4.42 2.96 -1.26 -1.40 118.68 127.64 2kh2 s LEU 80 Ca 0.07 0.95 -0.16 0.00 -0.22 0.00 0.00 54.13 54.77 2kh2 s LEU 80 Cb -0.07 -3.17 0.05 0.00 0.50 0.00 0.00 46.19 43.49 2kh2 s LEU 80 CO -0.01 0.12 0.77 0.00 -1.32 0.00 0.00 176.35 175.91 2kh2 s GLN 81 N -1.99 2.16 -0.24 1.98 -2.07 -0.26 -4.90 119.66 114.34 2kh2 s GLN 81 Ca 0.36 -1.38 -0.06 0.00 -1.82 0.00 0.00 55.36 52.46 2kh2 s GLN 81 Cb -0.14 0.62 -0.02 0.00 -1.09 0.00 0.00 33.01 32.37 2kh2 s GLN 81 CO 0.19 -1.00 0.04 -0.51 -1.32 0.00 0.00 175.29 172.68 2kh2 s LEU 82 N -3.05 3.29 -0.09 2.60 2.01 -1.26 -0.36 118.68 121.82 2kh2 s LEU 82 Ca 0.15 -0.25 -0.02 0.00 0.01 0.00 0.00 54.13 54.03 2kh2 s LEU 82 Cb -0.05 -1.87 -0.03 0.00 0.01 0.00 0.00 46.19 44.25 2kh2 s LEU 82 CO 0.11 -0.02 0.00 -1.61 1.01 0.00 0.00 176.35 175.85 2kh2 s GLU 83 N 1.50 3.06 -0.55 1.70 2.02 0.50 -4.89 118.70 122.03 2kh2 s GLU 83 Ca 0.06 -0.41 -0.21 0.00 0.02 0.00 0.00 54.97 54.43 2kh2 s GLU 83 Cb -0.15 -2.82 0.06 0.00 0.10 0.00 0.00 34.13 31.32 2kh2 s GLU 83 CO 0.02 0.67 0.80 -1.12 0.02 0.00 0.00 175.26 175.64 2kh2 s SER 84 N -0.78 6.25 0.40 -0.19 0.01 -1.26 -1.18 113.70 116.95 2kh2 s SER 84 Ca 0.12 -0.77 -0.03 0.00 1.31 0.00 0.00 55.95 56.58 2kh2 s SER 84 Cb -0.11 -2.36 -0.04 0.00 0.21 0.00 0.00 66.02 63.71 2kh2 s SER 84 CO 0.02 -1.12 0.66 0.68 0.41 0.00 0.00 173.24 173.89 2kh2 s VAL 85 N 3.34 4.99 -0.04 3.43 -7.23 -0.58 -5.01 120.40 119.30 2kh2 s VAL 85 Ca 0.21 -0.05 -0.32 0.00 -1.81 0.00 0.00 61.98 60.02 2kh2 s VAL 85 Cb -0.17 -3.84 -0.10 0.00 0.56 0.00 0.00 36.38 32.84 2kh2 s VAL 85 CO 0.14 -0.65 1.97 -0.67 -0.31 0.00 0.00 175.10 175.58 2kh2 n ASP 86 N -1.84 3.79 0.28 4.85 2.03 -1.26 -4.86 116.55 119.54 2kh2 n ASP 86 Ca -0.02 0.86 0.15 0.00 0.52 0.00 0.00 54.79 56.30 2kh2 n ASP 86 Cb 0.55 -1.47 0.83 0.00 -0.72 0.00 0.00 41.12 40.32 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 10.53 0.00 0.00 -0.67 0.13 -1.94 -1.01 132.00 139.05 2kh2 h PRO 87 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2kh2 h PRO 87 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2kh2 h PRO 87 CO 0.95 0.07 -1.90 0.36 -0.23 0.00 0.00 178.00 177.25 2kh2 n LYS 88 N -3.62 0.62 -0.01 0.86 2.85 -1.26 -4.24 118.16 113.36 2kh2 n LYS 88 Ca -0.02 -0.17 0.11 0.00 -1.05 0.00 0.00 58.31 57.18 2kh2 n LYS 88 Cb 0.18 -1.53 0.10 0.00 -0.65 0.00 0.00 35.03 33.12 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 -2.23 2.87 -4.15 -5.58 3.02 -1.05 -4.95 115.26 103.19 2kh2 n ASN 89 Ca -0.03 -1.93 -0.14 0.00 -0.03 0.00 0.00 54.58 52.45 2kh2 n ASN 89 Cb 0.55 -0.01 -0.11 0.00 -0.61 0.00 0.00 39.78 39.61 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 -1.84 0.96 0.86 3.10 1.51 -0.41 -4.53 117.35 116.99 2kh2 s TYR 90 Ca 0.26 -0.64 -0.12 0.00 -1.01 0.00 0.00 57.07 55.57 2kh2 s TYR 90 Cb 0.19 -0.54 0.14 0.00 -0.11 0.00 0.00 41.96 41.64 2kh2 s TYR 90 CO 0.28 -0.04 1.20 -1.25 -1.11 0.00 0.00 175.55 174.63 2kh2 s PRO 91 N -2.58 1.30 0.06 -1.71 0.04 -1.26 -4.75 135.00 126.09 2kh2 s PRO 91 Ca 0.02 -0.38 -0.04 0.00 0.04 0.00 0.00 61.00 60.65 2kh2 s PRO 91 Cb -0.04 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 2kh2 s PRO 91 CO -0.00 -1.93 0.05 -1.59 0.04 0.00 0.00 177.00 173.56 2kh2 s LYS 92 N -5.62 0.65 0.10 4.56 -2.85 -1.26 -5.06 119.74 110.25 2kh2 s LYS 92 Ca 0.68 -1.05 -0.16 0.00 -1.00 0.00 0.00 55.97 54.45 2kh2 s LYS 92 Cb -0.07 0.24 -0.06 0.00 -2.06 0.00 0.00 37.83 35.88 2kh2 s LYS 92 CO 0.50 -0.15 1.48 -0.22 0.10 0.00 0.00 175.35 177.06 2kh2 h LYS 93 N 3.21 0.63 -4.11 1.78 3.64 -1.98 -3.34 116.57 116.39 2kh2 h LYS 93 Ca -0.34 -0.26 -0.77 0.00 -1.27 0.00 0.00 60.65 58.02 2kh2 h LYS 93 Cb 1.17 -0.03 -0.24 0.00 -0.41 0.00 0.00 32.23 32.72 2kh2 h LYS 93 CO 0.60 0.83 0.59 0.21 -2.27 0.00 0.00 179.45 179.41 2kh2 s LYS 94 N -4.70 3.92 0.54 1.90 2.47 -1.26 -2.00 119.74 120.62 2kh2 s LYS 94 Ca -0.13 -2.65 -0.08 0.00 -1.56 0.00 0.00 55.97 51.55 2kh2 s LYS 94 Cb 0.09 -4.68 -0.04 0.00 -1.46 0.00 0.00 37.83 31.74 2kh2 s LYS 94 CO 0.79 -1.44 0.89 -1.64 0.16 0.00 0.00 175.35 174.11 2kh2 s MET 95 N 0.32 3.53 0.55 4.03 -1.94 -1.26 -5.02 119.30 119.52 2kh2 s MET 95 Ca 0.30 0.41 -0.21 0.00 -1.71 0.00 0.00 55.69 54.48 2kh2 s MET 95 Cb -0.08 -2.25 -0.05 0.00 2.01 0.00 0.00 34.83 34.47 2kh2 s MET 95 CO -0.07 -0.38 1.32 0.39 -0.01 0.00 0.00 175.02 176.27 2kh2 n GLU 96 N -2.48 1.59 0.21 2.03 4.71 -1.26 -4.79 120.64 120.65 2kh2 n GLU 96 Ca 0.03 0.59 0.17 0.00 -0.01 0.00 0.00 57.16 57.94 2kh2 n GLU 96 Cb 0.55 -2.53 0.84 0.00 -1.01 0.00 0.00 31.44 29.28 2kh2 n GLU 96 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 2kh2 h LYS 97 N 1.30 0.00 0.00 3.49 3.64 -1.95 0.24 116.57 123.29 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 1.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 2kh2 h LYS 97 CO 0.56 0.00 0.00 2.89 -2.27 0.00 0.00 179.45 180.63 2kh2 n ARG 98 N -3.74 0.11 0.00 1.90 1.85 -1.26 -2.84 116.66 112.68 2kh2 n ARG 98 Ca 0.02 0.18 0.06 0.00 -1.00 0.00 0.00 57.85 57.10 2kh2 n ARG 98 Cb 0.33 -1.66 0.02 0.00 -1.05 0.00 0.00 32.46 30.11 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 -1.86 0.00 -3.37 2.89 3.72 0.79 -1.19 117.46 118.44 2kh2 n PHE 99 Ca 0.05 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.06 2kh2 n PHE 99 Cb 0.32 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.78 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 -1.25 5.17 0.08 -4.37 1.01 -0.94 -4.09 120.40 116.02 2kh2 s VAL 100 Ca 0.11 0.69 0.06 0.00 0.00 0.00 0.00 61.98 62.84 2kh2 s VAL 100 Cb 0.09 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 2kh2 s VAL 100 CO 0.22 0.20 -0.09 -0.36 0.00 0.00 0.00 175.10 175.08 2kh2 s PHE 101 N 1.69 2.79 -0.51 5.22 0.40 -0.20 -2.14 117.98 125.24 2kh2 s PHE 101 Ca 0.18 -0.12 -0.11 0.00 -0.60 0.00 0.00 56.93 56.28 2kh2 s PHE 101 Cb -0.15 -1.48 0.13 0.00 0.51 0.00 0.00 43.02 42.02 2kh2 s PHE 101 CO 0.09 0.41 0.41 -0.80 0.70 0.00 0.00 175.22 176.03 2kh2 s ASN 102 N -2.02 5.87 -0.65 1.36 0.02 0.20 -1.53 114.94 118.18 2kh2 s ASN 102 Ca 0.21 -1.95 -0.27 0.00 -1.02 0.00 0.00 52.86 49.83 2kh2 s ASN 102 Cb -0.11 -2.07 0.02 0.00 0.02 0.00 0.00 41.25 39.11 2kh2 s ASN 102 CO 0.13 -0.72 1.38 -0.75 0.02 0.00 0.00 177.10 177.16 2kh2 s LYS 103 N 1.33 3.18 0.05 -0.60 2.20 0.65 -0.95 119.74 125.60 2kh2 s LYS 103 Ca 0.06 0.12 -0.14 0.00 -0.36 0.00 0.00 55.97 55.65 2kh2 s LYS 103 Cb -0.26 -4.17 -0.06 0.00 -1.51 0.00 0.00 37.83 31.82 2kh2 s LYS 103 CO -0.00 -2.11 0.44 0.42 -0.36 0.00 0.00 175.35 173.74 2kh2 s ILE 104 N 6.18 4.99 -0.49 5.43 1.01 0.90 -0.79 121.20 138.42 2kh2 s ILE 104 Ca 0.45 0.77 0.03 0.00 0.00 0.00 0.00 60.65 61.90 2kh2 s ILE 104 Cb -0.09 -3.71 0.15 0.00 0.01 0.00 0.00 42.46 38.82 2kh2 s ILE 104 CO 0.20 0.44 0.33 -1.61 0.00 0.00 0.00 174.94 174.30 2kh2 s GLU 105 N -1.45 1.45 0.13 2.79 2.02 -0.89 -0.28 118.70 122.47 2kh2 s GLU 105 Ca 0.29 -2.34 -0.19 0.00 0.02 0.00 0.00 54.97 52.75 2kh2 s GLU 105 Cb -0.16 -2.32 -0.02 0.00 0.10 0.00 0.00 34.13 31.72 2kh2 s GLU 105 CO 0.16 -1.25 1.72 -0.84 0.02 0.00 0.00 175.26 175.07 2kh2 h ILE 106 N 4.87 0.86 0.00 -1.63 3.07 -1.86 -3.48 117.51 119.35 2kh2 h ILE 106 Ca 0.10 -0.03 0.00 0.00 1.55 0.00 0.00 64.86 66.49 2kh2 h ILE 106 Cb 0.88 0.77 0.00 0.00 -0.27 0.00 0.00 36.82 38.21 2kh2 h ILE 106 CO 0.50 0.02 0.00 -0.46 -1.05 0.00 0.00 178.15 177.16 2kh2 n ASN 107 N -5.12 0.00 -0.48 2.16 0.23 -1.26 -4.96 115.26 105.82 2kh2 n ASN 107 Ca -0.02 0.00 0.14 0.00 -0.53 0.00 0.00 54.58 54.16 2kh2 n ASN 107 Cb 0.11 0.00 0.45 0.00 -2.08 0.00 0.00 39.78 38.26 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 1.56 -4.31 0.53 3.02 -1.26 -4.83 115.26 109.97 2kh2 n ASN 108 Ca 0.00 -1.44 -0.31 0.00 -0.03 0.00 0.00 54.58 52.81 2kh2 n ASN 108 Cb 0.00 0.03 -0.16 0.00 -0.61 0.00 0.00 39.78 39.04 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 -2.10 2.04 -0.04 3.52 3.01 -1.26 -4.98 119.74 119.92 2kh2 s LYS 109 Ca 0.34 -0.93 0.06 0.00 -1.01 0.00 0.00 55.97 54.43 2kh2 s LYS 109 Cb 0.21 -1.99 -0.02 0.00 -1.01 0.00 0.00 37.83 35.01 2kh2 s LYS 109 CO 0.37 0.54 -0.23 -0.48 0.51 0.00 0.00 175.35 176.07 2kh2 s LEU 110 N -0.67 2.24 0.12 3.17 0.05 -1.04 -2.97 118.68 119.57 2kh2 s LEU 110 Ca 0.10 -0.42 0.10 0.00 0.05 0.00 0.00 54.13 53.97 2kh2 s LEU 110 Cb -0.10 -1.41 -0.04 0.00 -2.05 0.00 0.00 46.19 42.59 2kh2 s LEU 110 CO -0.01 0.30 -0.25 -1.61 -0.55 0.00 0.00 176.35 174.23 2kh2 s GLU 111 N -0.46 1.35 -0.36 1.48 2.02 0.62 -0.75 118.70 122.60 2kh2 s GLU 111 Ca 0.05 -1.28 -0.06 0.00 0.02 0.00 0.00 54.97 53.70 2kh2 s GLU 111 Cb -0.12 -1.77 0.06 0.00 0.10 0.00 0.00 34.13 32.41 2kh2 s GLU 111 CO 0.01 0.42 0.13 -0.06 0.02 0.00 0.00 175.26 175.78 2kh2 s PHE 112 N -1.07 3.32 0.24 1.61 0.08 -1.26 -0.07 117.98 120.83 2kh2 s PHE 112 Ca 0.12 -1.66 -0.03 0.00 0.12 0.00 0.00 56.93 55.48 2kh2 s PHE 112 Cb -0.10 -2.52 -0.05 0.00 -0.57 0.00 0.00 43.02 39.78 2kh2 s PHE 112 CO 0.05 -0.80 0.47 -2.00 -0.10 0.00 0.00 175.22 172.84 2kh2 s GLU 113 N 1.35 3.59 -0.08 0.44 2.12 -0.12 -1.22 118.70 124.77 2kh2 s GLU 113 Ca 0.00 -0.14 -0.19 0.00 0.36 0.00 0.00 54.97 55.00 2kh2 s GLU 113 Cb -0.21 -2.74 -0.04 0.00 0.26 0.00 0.00 34.13 31.40 2kh2 s GLU 113 CO 0.01 0.31 0.53 0.45 -0.54 0.00 0.00 175.26 176.02 2kh2 s SER 114 N -3.08 6.80 0.25 -1.70 0.15 0.20 0.62 113.70 116.94 2kh2 s SER 114 Ca 0.42 0.95 0.06 0.00 0.70 0.00 0.00 55.95 58.08 2kh2 s SER 114 Cb -0.11 -2.32 0.30 0.00 -1.71 0.00 0.00 66.02 62.19 2kh2 s SER 114 CO 0.29 0.03 1.59 0.00 1.20 0.00 0.00 173.24 176.35 2kh2 h ALA 115 N 6.35 0.92 -0.37 5.45 0.00 -1.64 -3.08 119.26 126.90 2kh2 h ALA 115 Ca -0.43 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 53.90 2kh2 h ALA 115 Cb 1.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2kh2 h ALA 115 CO 0.73 0.72 0.03 0.37 0.00 0.00 0.00 179.25 181.10 2kh2 h GLN 116 N 0.13 0.63 -4.29 0.00 5.75 -1.75 -3.40 115.11 112.19 2kh2 h GLN 116 Ca -0.00 -0.19 -0.63 0.00 -0.15 0.00 0.00 58.65 57.67 2kh2 h GLN 116 Cb 1.07 -0.06 -0.40 0.00 1.07 0.00 0.00 27.48 29.15 2kh2 h GLN 116 CO 0.09 0.72 -0.73 -0.06 -2.65 0.00 0.00 178.83 176.20 2kh2 s PHE 117 N -5.08 3.09 0.40 3.99 0.08 -1.16 -5.08 117.98 114.22 2kh2 s PHE 117 Ca -0.13 -2.60 -0.27 0.00 0.12 0.00 0.00 56.93 54.05 2kh2 s PHE 117 Cb 0.09 -2.53 -0.10 0.00 -0.57 0.00 0.00 43.02 39.92 2kh2 s PHE 117 CO 0.78 -0.92 1.41 -2.14 -0.10 0.00 0.00 175.22 174.24 2kh2 s PRO 118 N 1.10 3.99 0.00 0.24 0.02 -1.22 -2.27 135.00 136.86 2kh2 s PRO 118 Ca 0.11 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.52 2kh2 s PRO 118 Cb -0.19 -2.85 0.00 0.00 0.02 0.00 0.00 34.50 31.48 2kh2 s PRO 118 CO -0.13 -0.56 0.00 0.09 -0.33 0.00 0.00 177.00 176.07 2kh2 n ASN 119 N 0.25 -2.81 -4.22 2.53 4.13 -1.26 -5.00 115.26 108.88 2kh2 n ASN 119 Ca 0.03 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 55.93 2kh2 n ASN 119 Cb 0.41 -0.92 -0.14 0.00 -1.54 0.00 0.00 39.78 37.59 2kh2 n ASN 119 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2kh2 s TRP 120 N -2.16 3.14 0.25 3.10 0.52 -0.96 -4.48 118.94 118.35 2kh2 s TRP 120 Ca 0.00 -1.52 0.10 0.00 0.02 0.00 0.00 56.10 54.70 2kh2 s TRP 120 Cb 0.00 -2.12 -0.05 0.00 -1.15 0.00 0.00 33.47 30.16 2kh2 s TRP 120 CO 0.00 -0.72 -0.11 0.71 0.02 0.00 0.00 176.95 176.85 2kh2 s TYR 121 N 1.34 2.51 -0.05 -1.98 2.02 -0.17 -0.63 117.35 120.38 2kh2 s TYR 121 Ca -0.01 -0.27 -0.30 0.00 -0.37 0.00 0.00 57.07 56.12 2kh2 s TYR 121 Cb -0.18 -1.13 -0.05 0.00 -0.40 0.00 0.00 41.96 40.20 2kh2 s TYR 121 CO -0.02 0.63 1.58 0.42 -1.57 0.00 0.00 175.55 176.59 2kh2 s ILE 122 N -2.25 3.64 0.20 2.71 1.01 -0.36 -0.82 121.20 125.33 2kh2 s ILE 122 Ca 0.29 0.83 0.10 0.00 0.00 0.00 0.00 60.65 61.87 2kh2 s ILE 122 Cb -0.06 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 2kh2 s ILE 122 CO 0.17 -0.06 -0.21 -0.44 0.00 0.00 0.00 174.94 174.40 2kh2 s SER 123 N 2.97 3.18 0.11 3.58 0.01 0.12 -4.44 113.70 119.22 2kh2 s SER 123 Ca 0.70 -0.90 0.04 0.00 1.31 0.00 0.00 55.95 57.09 2kh2 s SER 123 Cb -0.32 -0.23 -0.04 0.00 0.21 0.00 0.00 66.02 65.64 2kh2 s SER 123 CO 0.28 0.04 -0.09 0.42 0.41 0.00 0.00 173.24 174.29 2kh2 s THR 124 N -2.02 0.96 0.43 1.44 -4.23 -0.04 -2.56 115.64 109.62 2kh2 s THR 124 Ca 0.21 -1.82 -0.02 0.00 -1.18 0.00 0.00 61.69 58.88 2kh2 s THR 124 Cb -0.06 -1.57 -0.02 0.00 1.34 0.00 0.00 72.50 72.19 2kh2 s THR 124 CO 0.10 -0.68 0.67 -0.44 -0.54 0.00 0.00 174.62 173.73 2kh2 s SER 125 N -2.78 6.13 0.40 3.99 0.01 -1.26 -0.38 113.70 119.80 2kh2 s SER 125 Ca 0.10 0.57 0.21 0.00 1.31 0.00 0.00 55.95 58.14 2kh2 s SER 125 Cb 0.00 -1.95 0.64 0.00 0.21 0.00 0.00 66.02 64.92 2kh2 s SER 125 CO -0.01 -0.53 1.71 1.56 0.41 0.00 0.00 173.24 176.38 2kh2 h GLN 126 N 0.45 0.00 -7.24 12.44 1.08 -1.97 -3.46 115.11 116.41 2kh2 h GLN 126 Ca -0.48 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.21 2kh2 h GLN 126 Cb 1.23 0.00 0.12 0.00 -0.05 0.00 0.00 27.48 28.78 2kh2 h GLN 126 CO 0.60 0.29 0.35 0.00 -0.95 0.00 0.00 178.83 179.12 2kh2 s ALA 127 N -3.43 2.33 0.23 3.87 0.00 -1.26 -5.02 121.76 118.48 2kh2 s ALA 127 Ca 0.02 0.47 -0.19 0.00 0.00 0.00 0.00 51.96 52.26 2kh2 s ALA 127 Cb 0.09 -3.32 -0.08 0.00 0.00 0.00 0.00 23.12 19.81 2kh2 s ALA 127 CO 0.67 -1.56 0.73 -2.00 0.00 0.00 0.00 175.76 173.60 2kh2 s GLU 128 N -4.40 4.23 -1.09 0.00 2.56 -1.26 -4.12 118.70 114.63 2kh2 s GLU 128 Ca 0.65 0.85 -0.05 0.00 0.00 0.00 0.00 54.97 56.42 2kh2 s GLU 128 Cb -0.20 -2.83 0.01 0.00 2.00 0.00 0.00 34.13 33.10 2kh2 s GLU 128 CO 0.48 0.37 0.72 -1.71 -0.56 0.00 0.00 175.26 174.56 2kh2 n ASN 129 N 0.62 -5.20 -4.81 -1.70 5.15 -1.11 -5.01 115.26 103.19 2kh2 n ASN 129 Ca -0.02 -0.33 -0.36 0.00 -0.60 0.00 0.00 54.58 53.27 2kh2 n ASN 129 Cb 0.51 -3.90 -0.07 0.00 -0.53 0.00 0.00 39.78 35.79 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 -5.76 3.40 0.90 1.20 -1.94 -1.12 -4.86 119.30 111.12 2kh2 s MET 130 Ca 0.36 -0.21 -0.11 0.00 -1.71 0.00 0.00 55.69 54.02 2kh2 s MET 130 Cb -0.16 -3.11 0.13 0.00 2.01 0.00 0.00 34.83 33.70 2kh2 s MET 130 CO 0.44 0.71 1.09 -2.14 -0.01 0.00 0.00 175.02 175.12 2kh2 s PRO 131 N -0.86 1.21 0.13 2.03 0.02 -1.26 -0.37 135.00 135.90 2kh2 s PRO 131 Ca 0.14 0.90 -0.16 0.00 0.02 0.00 0.00 61.00 61.90 2kh2 s PRO 131 Cb -0.12 -1.80 -0.07 0.00 0.02 0.00 0.00 34.50 32.54 2kh2 s PRO 131 CO 0.03 -2.29 0.56 0.08 -0.33 0.00 0.00 177.00 175.05 2kh2 s VAL 132 N -2.88 4.82 0.25 3.83 1.01 -0.81 -4.67 120.40 121.95 2kh2 s VAL 132 Ca 0.64 0.96 -0.07 0.00 0.00 0.00 0.00 61.98 63.50 2kh2 s VAL 132 Cb -0.19 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 2kh2 s VAL 132 CO 0.57 0.33 0.37 0.72 0.00 0.00 0.00 175.10 177.10 2kh2 s PHE 133 N -1.36 0.74 -0.24 5.22 -0.71 -1.06 -4.89 117.98 115.68 2kh2 s PHE 133 Ca 0.35 -1.03 -0.10 0.00 -1.04 0.00 0.00 56.93 55.11 2kh2 s PHE 133 Cb -0.16 -0.10 -0.05 0.00 -1.21 0.00 0.00 43.02 41.50 2kh2 s PHE 133 CO 0.19 -0.91 0.15 -1.17 -1.34 0.00 0.00 175.22 172.14 2kh2 s LEU 134 N -3.10 4.03 0.18 -1.99 2.96 -1.26 -0.71 118.68 118.79 2kh2 s LEU 134 Ca 0.29 0.07 0.08 0.00 -0.22 0.00 0.00 54.13 54.35 2kh2 s LEU 134 Cb 0.02 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 2kh2 s LEU 134 CO 0.12 0.05 -0.16 -0.83 -1.32 0.00 0.00 176.35 174.21 2kh2 s GLY 135 N 1.13 1.40 -0.20 7.98 0.00 -0.00 -4.89 107.32 112.74 2kh2 s GLY 135 Ca 0.07 -1.56 0.16 0.00 0.00 0.00 0.00 44.72 43.39 2kh2 s GLY 135 CO 0.05 -1.63 1.55 0.61 0.00 0.00 0.00 173.10 173.68 2kh2 n GLY 136 N 0.01 3.69 3.54 0.20 0.00 -1.26 -1.00 105.19 110.36 2kh2 n GLY 136 Ca -0.11 -1.01 -0.34 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.82 3.66 -0.04 2.61 -4.23 -1.26 -4.94 115.64 108.61 2kh2 s THR 137 Ca 0.47 -0.48 0.01 0.00 -1.18 0.00 0.00 61.69 60.51 2kh2 s THR 137 Cb 0.37 -2.52 0.02 0.00 1.34 0.00 0.00 72.50 71.71 2kh2 s THR 137 CO 0.11 0.57 -0.05 -0.75 -0.54 0.00 0.00 174.62 173.96 2kh2 s LYS 138 N -0.48 0.83 -0.90 3.99 2.20 -1.26 -4.78 119.74 119.34 2kh2 s LYS 138 Ca 0.07 -0.14 0.00 0.00 -0.36 0.00 0.00 55.97 55.54 2kh2 s LYS 138 Cb -0.12 -0.82 0.00 0.00 -1.51 0.00 0.00 37.83 35.38 2kh2 s LYS 138 CO 0.02 -0.04 0.00 0.41 -0.36 0.00 0.00 175.35 175.38 2kh2 n GLY 139 N 3.85 0.34 0.00 5.54 0.00 -1.26 -4.99 105.19 108.66 2kh2 n GLY 139 Ca -0.24 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.26 1.27 0.14 -0.02 0.00 -1.26 -5.03 105.19 99.03 2kh2 n GLY 140 Ca -0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 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 0.35 -7.33 1.61 7.50 -1.96 -3.47 115.11 111.81 2kh2 h GLN 141 Ca 0.00 -0.60 -0.51 0.00 0.50 0.00 0.00 58.65 58.04 2kh2 h GLN 141 Cb 0.00 0.22 0.11 0.00 0.05 0.00 0.00 27.48 27.86 2kh2 h GLN 141 CO 0.00 1.25 0.35 -0.51 -1.50 0.00 0.00 178.83 178.42 2kh2 s ASP 142 N -7.19 5.01 -0.27 1.46 1.01 -1.26 -4.62 116.67 110.81 2kh2 s ASP 142 Ca -0.14 1.69 -0.09 0.00 0.71 0.00 0.00 52.55 54.71 2kh2 s ASP 142 Cb 0.06 -2.49 -0.03 0.00 1.01 0.00 0.00 42.92 41.46 2kh2 s ASP 142 CO 0.85 -1.69 0.14 -0.63 0.21 0.00 0.00 175.17 174.05 2kh2 s ILE 143 N -2.99 4.78 -0.11 0.77 1.01 0.49 -4.67 121.20 120.47 2kh2 s ILE 143 Ca 0.59 -0.07 0.10 0.00 0.00 0.00 0.00 60.65 61.27 2kh2 s ILE 143 Cb -0.15 -3.29 -0.15 0.00 0.01 0.00 0.00 42.46 38.88 2kh2 s ILE 143 CO 0.55 0.25 0.27 0.35 0.00 0.00 0.00 174.94 176.36 2kh2 n THR 144 N 4.99 0.00 -2.92 2.92 -2.24 -1.26 -0.86 114.28 114.92 2kh2 n THR 144 Ca -0.15 -0.24 -0.40 0.00 -2.27 0.00 0.00 64.05 60.99 2kh2 n THR 144 Cb 0.51 0.43 -0.05 0.00 -2.10 0.00 0.00 70.33 69.13 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 -2.89 7.26 0.28 3.42 -4.77 -1.26 -4.39 116.67 114.33 2kh2 s ASP 145 Ca -0.02 1.51 0.02 0.00 -3.30 0.00 0.00 52.55 50.76 2kh2 s ASP 145 Cb 0.07 -2.50 -0.05 0.00 -1.09 0.00 0.00 42.92 39.35 2kh2 s ASP 145 CO 0.42 -0.03 0.09 -0.36 0.70 0.00 0.00 175.17 175.99 2kh2 s PHE 146 N 0.10 1.65 0.07 2.11 0.08 0.07 -4.03 117.98 118.03 2kh2 s PHE 146 Ca 0.41 -1.14 0.08 0.00 0.12 0.00 0.00 56.93 56.40 2kh2 s PHE 146 Cb -0.21 -1.00 -0.03 0.00 -0.57 0.00 0.00 43.02 41.21 2kh2 s PHE 146 CO 0.24 -0.26 -0.22 0.95 -0.10 0.00 0.00 175.22 175.83 2kh2 s THR 147 N -3.62 1.77 -0.34 0.64 -4.23 0.12 -2.50 115.64 107.48 2kh2 s THR 147 Ca 0.37 -1.37 -0.05 0.00 -1.18 0.00 0.00 61.69 59.46 2kh2 s THR 147 Cb 0.08 -1.56 0.05 0.00 1.34 0.00 0.00 72.50 72.40 2kh2 s THR 147 CO 0.14 0.13 0.09 -0.32 -0.54 0.00 0.00 174.62 174.12 2kh2 s MET 148 N -1.49 2.53 -0.46 3.99 1.75 -1.26 -2.61 119.30 121.76 2kh2 s MET 148 Ca 0.08 -1.26 -0.11 0.00 -1.25 0.00 0.00 55.69 53.15 2kh2 s MET 148 Cb -0.09 -3.41 0.09 0.00 2.84 0.00 0.00 34.83 34.26 2kh2 s MET 148 CO 0.03 -0.70 0.34 -0.65 -0.65 0.00 0.00 175.02 173.39 2kh2 s GLN 149 N 1.35 2.69 0.29 4.11 -0.21 -0.32 -4.92 119.66 122.64 2kh2 s GLN 149 Ca -0.02 -1.55 -0.30 0.00 0.02 0.00 0.00 55.36 53.51 2kh2 s GLN 149 Cb -0.20 -3.95 -0.12 0.00 1.00 0.00 0.00 33.01 29.75 2kh2 s GLN 149 CO 0.01 -1.08 1.60 1.19 -2.12 0.00 0.00 175.29 174.90 2kh2 n PHE 150 N 5.01 2.83 -4.48 0.91 3.72 -1.26 -0.95 117.46 123.24 2kh2 n PHE 150 Ca -0.10 0.25 -0.23 0.00 -0.05 0.00 0.00 57.45 57.31 2kh2 n PHE 150 Cb 0.42 -2.60 -0.11 0.00 -0.94 0.00 0.00 39.48 36.26 2kh2 n PHE 150 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 2kh2 s VAL 151 N 0.05 1.70 -1.44 -4.37 -7.23 -0.90 -4.91 120.40 103.30 2kh2 s VAL 151 Ca 0.65 -2.09 -0.09 0.00 -1.81 0.00 0.00 61.98 58.63 2kh2 s VAL 151 Cb -0.50 -2.64 0.05 0.00 0.56 0.00 0.00 36.38 33.85 2kh2 s VAL 151 CO 0.48 -0.17 2.45 -1.54 -0.31 0.00 0.00 175.10 176.00 2kh2 n SER 152 N -0.70 7.03 0.00 4.85 3.41 -1.26 -4.71 113.62 122.23 2kh2 n SER 152 Ca -0.05 -2.90 0.00 0.00 -0.26 0.00 0.00 58.87 55.66 2kh2 n SER 152 Cb 0.65 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.10 2kh2 n SER 152 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64