#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vhk s THR 2 N 0.00 5.48 -0.21 0.00 -4.23 -1.26 -0.40 115.64 115.02 2vhk s THR 2 Ca 0.00 0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 2vhk s THR 2 Cb 0.00 -3.45 0.05 0.00 1.34 0.00 0.00 72.50 70.45 2vhk s THR 2 CO 0.00 0.54 -0.06 -0.36 -0.54 0.00 0.00 174.62 174.20 2vhk s PHE 3 N -1.11 2.15 -0.29 3.99 0.40 -0.26 -1.24 117.98 121.63 2vhk s PHE 3 Ca 0.18 -1.49 -0.26 0.00 -0.60 0.00 0.00 56.93 54.76 2vhk s PHE 3 Cb -0.12 -1.50 0.01 0.00 0.51 0.00 0.00 43.02 41.91 2vhk s PHE 3 CO 0.08 -0.72 0.92 -2.00 0.70 0.00 0.00 175.22 174.20 2vhk s GLU 4 N 1.48 4.06 -0.26 0.44 2.12 -0.27 -1.06 118.70 125.22 2vhk s GLU 4 Ca -0.03 0.89 -0.07 0.00 0.36 0.00 0.00 54.97 56.12 2vhk s GLU 4 Cb -0.17 -3.71 -0.02 0.00 0.26 0.00 0.00 34.13 30.49 2vhk s GLU 4 CO -0.07 -0.72 0.07 0.42 -0.54 0.00 0.00 175.26 174.41 2vhk s ILE 5 N 3.20 4.19 -0.12 -3.70 1.01 0.63 -0.84 121.20 125.56 2vhk s ILE 5 Ca 0.38 -0.29 0.03 0.00 0.00 0.00 0.00 60.65 60.77 2vhk s ILE 5 Cb -0.14 -3.00 0.01 0.00 0.01 0.00 0.00 42.46 39.34 2vhk s ILE 5 CO 0.12 0.29 -0.22 -0.69 0.00 0.00 0.00 174.94 174.44 2vhk s VAL 6 N 1.59 1.98 -0.54 2.92 1.01 0.36 -0.51 120.40 127.21 2vhk s VAL 6 Ca 0.06 -0.95 -0.17 0.00 0.00 0.00 0.00 61.98 60.92 2vhk s VAL 6 Cb -0.15 -1.75 0.11 0.00 0.00 0.00 0.00 36.38 34.59 2vhk s VAL 6 CO 0.03 0.54 0.56 0.21 0.00 0.00 0.00 175.10 176.44 2vhk s ASN 7 N 0.69 6.18 0.00 3.32 2.47 -0.28 -0.60 114.94 126.73 2vhk s ASN 7 Ca -0.11 -1.54 0.26 0.00 0.42 0.00 0.00 52.86 51.90 2vhk s ASN 7 Cb -0.16 -2.24 0.84 0.00 -1.45 0.00 0.00 41.25 38.24 2vhk s ASN 7 CO 0.01 -0.91 1.63 0.54 -3.72 0.00 0.00 177.10 174.65 2vhk n ARG 8 N 5.66 1.82 -1.30 0.43 1.74 -0.20 0.46 116.66 125.26 2vhk n ARG 8 Ca -0.12 -1.19 -0.32 0.00 -0.77 0.00 0.00 57.85 55.45 2vhk n ARG 8 Cb 0.42 -1.47 0.10 0.00 -1.02 0.00 0.00 32.46 30.49 2vhk n ARG 8 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2vhk n SER 10 N -3.22 0.00 -4.56 0.00 3.41 -1.26 -4.30 113.62 103.69 2vhk n SER 10 Ca 0.11 0.26 -0.27 0.00 -0.26 0.00 0.00 58.87 58.71 2vhk n SER 10 Cb 0.52 -0.41 -0.09 0.00 -0.26 0.00 0.00 64.21 63.96 2vhk n SER 10 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2vhk s TYR 11 N -2.83 2.61 0.41 7.33 -0.85 -1.26 -4.80 117.35 117.96 2vhk s TYR 11 Ca 0.18 -0.23 -0.27 0.00 -0.52 0.00 0.00 57.07 56.24 2vhk s TYR 11 Cb 0.18 -1.28 -0.09 0.00 0.38 0.00 0.00 41.96 41.15 2vhk s TYR 11 CO 0.46 0.51 1.39 0.99 -1.52 0.00 0.00 175.55 177.38 2vhk s THR 12 N -1.69 2.32 0.21 -3.49 2.01 -1.26 -4.30 115.64 109.44 2vhk s THR 12 Ca 0.24 0.30 0.07 0.00 0.31 0.00 0.00 61.69 62.61 2vhk s THR 12 Cb -0.09 -3.18 -0.05 0.00 0.01 0.00 0.00 72.50 69.19 2vhk s THR 12 CO 0.15 0.05 -0.11 0.68 -0.69 0.00 0.00 174.62 174.70 2vhk s VAL 13 N -1.20 1.58 -0.38 3.82 -7.23 -0.61 -4.68 120.40 111.70 2vhk s VAL 13 Ca 0.56 -2.16 -0.03 0.00 -1.81 0.00 0.00 61.98 58.55 2vhk s VAL 13 Cb -0.42 -2.09 0.09 0.00 0.56 0.00 0.00 36.38 34.53 2vhk s VAL 13 CO 0.55 -0.56 0.15 0.26 -0.31 0.00 0.00 175.10 175.19 2vhk s TRP 14 N -3.07 3.52 0.66 2.82 0.51 -0.11 -0.28 118.94 122.99 2vhk s TRP 14 Ca 0.23 -2.29 -0.17 0.00 -2.12 0.00 0.00 56.10 51.75 2vhk s TRP 14 Cb 0.01 -2.95 0.00 0.00 -0.81 0.00 0.00 33.47 29.72 2vhk s TRP 14 CO 0.07 -0.93 1.20 0.00 -0.51 0.00 0.00 176.95 176.78 2vhk s ALA 15 N 1.16 2.35 0.01 0.98 0.00 -0.16 -1.14 121.76 124.97 2vhk s ALA 15 Ca 0.05 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.92 2vhk s ALA 15 Cb -0.22 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.44 2vhk s ALA 15 CO -0.03 -1.49 -0.02 0.00 0.00 0.00 0.00 175.76 174.21 2vhk s ALA 16 N -1.83 0.09 -0.16 0.00 0.00 -0.08 -1.88 121.76 117.91 2vhk s ALA 16 Ca 0.75 -0.44 -0.06 0.00 0.00 0.00 0.00 51.96 52.21 2vhk s ALA 16 Cb -0.29 0.11 0.07 0.00 0.00 0.00 0.00 23.12 23.01 2vhk s ALA 16 CO 0.39 -0.12 0.34 0.00 0.00 0.00 0.00 175.76 176.37 2vhk s ALA 17 N -1.07 -0.83 0.10 0.00 0.00 -0.31 -1.77 121.76 117.87 2vhk s ALA 17 Ca -0.12 1.23 -0.17 0.00 0.00 0.00 0.00 51.96 52.90 2vhk s ALA 17 Cb -0.07 -1.05 0.04 0.00 0.00 0.00 0.00 23.12 22.03 2vhk s ALA 17 CO -0.01 -0.56 0.42 0.45 0.00 0.00 0.00 175.76 176.06 2vhk s SER 18 N 2.16 -0.27 -0.12 0.00 0.15 -0.66 -1.54 113.70 113.42 2vhk s SER 18 Ca -0.03 -0.18 0.15 0.00 0.70 0.00 0.00 55.95 56.58 2vhk s SER 18 Cb -0.11 0.46 0.45 0.00 -1.71 0.00 0.00 66.02 65.11 2vhk s SER 18 CO -0.11 -0.79 1.36 2.29 1.20 0.00 0.00 173.24 177.19 2vhk n LYS 19 N 0.03 2.87 0.00 5.44 2.85 -0.50 -0.81 118.16 128.05 2vhk n LYS 19 Ca -0.17 -2.58 0.00 0.00 -1.05 0.00 0.00 58.31 54.51 2vhk n LYS 19 Cb 0.62 -1.65 0.00 0.00 -0.65 0.00 0.00 35.03 33.35 2vhk n LYS 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2vhk n GLY 20 N -0.24 3.07 0.19 2.58 0.00 -1.26 -4.65 105.19 104.88 2vhk n GLY 20 Ca 0.18 -0.71 0.02 0.00 0.00 0.00 0.00 46.02 45.51 2vhk n GLY 20 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2vhk n ASP 21 N 0.76 2.05 -3.55 1.61 5.75 -1.25 -4.35 116.55 117.57 2vhk n ASP 21 Ca 0.00 -1.79 -0.11 0.00 -0.01 0.00 0.00 54.79 52.88 2vhk n ASP 21 Cb 0.00 -0.06 -0.04 0.00 -1.03 0.00 0.00 41.12 39.99 2vhk n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2vhk s ALA 22 N -0.83 -1.88 0.64 2.12 0.00 -0.67 -4.97 121.76 116.17 2vhk s ALA 22 Ca 0.07 1.37 -0.17 0.00 0.00 0.00 0.00 51.96 53.22 2vhk s ALA 22 Cb 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 2vhk s ALA 22 CO 0.05 -0.44 1.21 0.00 0.00 0.00 0.00 175.76 176.58 2vhk s ALA 23 N -1.76 2.42 -0.21 0.00 0.00 -1.25 -1.41 121.76 119.55 2vhk s ALA 23 Ca -0.01 0.96 -0.09 0.00 0.00 0.00 0.00 51.96 52.82 2vhk s ALA 23 Cb -0.01 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.61 2vhk s ALA 23 CO -0.01 -1.39 0.11 -0.51 0.00 0.00 0.00 175.76 173.97 2vhk s LEU 24 N -4.42 4.00 0.00 0.00 1.43 -0.59 -4.72 118.68 114.37 2vhk s LEU 24 Ca 0.76 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.98 2vhk s LEU 24 Cb -0.30 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 43.88 2vhk s LEU 24 CO 0.37 0.13 0.00 -0.67 0.23 0.00 0.00 176.35 176.41 2vhk n ASP 25 N 3.87 0.00 0.15 2.29 -0.08 -1.25 -1.08 116.55 120.45 2vhk n ASP 25 Ca -0.16 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.25 2vhk n ASP 25 Cb 0.52 0.00 0.50 0.00 2.34 0.00 0.00 41.12 44.48 2vhk n ASP 25 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2vhk h ALA 26 N -0.83 1.00 0.00 -1.67 0.00 -1.93 -3.47 119.26 112.36 2vhk h ALA 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2vhk h ALA 26 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2vhk h ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2vhk n GLY 27 N 0.19 2.92 3.59 0.00 0.00 -0.24 -4.36 105.19 107.29 2vhk n GLY 27 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 2vhk n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vhk s GLY 28 N -1.83 -0.31 -0.14 -0.02 0.00 -1.25 -1.16 107.32 102.61 2vhk s GLY 28 Ca 0.00 1.53 -0.30 0.00 0.00 0.00 0.00 44.72 45.95 2vhk s GLY 28 CO 0.00 0.50 0.92 -1.60 0.00 0.00 0.00 173.10 172.93 2vhk s ARG 29 N -2.47 0.70 0.24 2.90 3.52 -0.79 -4.61 118.95 118.45 2vhk s ARG 29 Ca 0.09 0.18 -0.30 0.00 -0.13 0.00 0.00 55.73 55.57 2vhk s ARG 29 Cb -0.01 0.33 -0.09 0.00 -1.56 0.00 0.00 34.95 33.62 2vhk s ARG 29 CO -0.05 -0.22 1.22 -1.14 -0.81 0.00 0.00 175.30 174.31 2vhk s GLN 30 N -1.11 4.48 -0.25 5.12 0.74 -1.26 -0.99 119.66 126.39 2vhk s GLN 30 Ca -0.04 1.97 -0.00 0.00 0.05 0.00 0.00 55.36 57.34 2vhk s GLN 30 Cb -0.00 -3.18 0.07 0.00 1.10 0.00 0.00 33.01 31.00 2vhk s GLN 30 CO 0.04 -0.07 0.01 -0.51 -0.55 0.00 0.00 175.29 174.21 2vhk s LEU 31 N -0.81 2.26 0.98 3.68 1.02 0.62 -4.91 118.68 121.51 2vhk s LEU 31 Ca 0.51 -1.26 -0.12 0.00 0.02 0.00 0.00 54.13 53.28 2vhk s LEU 31 Cb -0.35 -0.97 0.18 0.00 0.02 0.00 0.00 46.19 45.07 2vhk s LEU 31 CO 0.41 -0.31 1.08 0.20 0.02 0.00 0.00 176.35 177.76 2vhk s ASN 32 N 1.54 2.69 -0.06 2.29 0.01 -1.26 -1.57 114.94 118.58 2vhk s ASN 32 Ca 0.00 1.50 -0.34 0.00 -0.71 0.00 0.00 52.86 53.31 2vhk s ASN 32 Cb -0.18 -2.17 -0.12 0.00 0.41 0.00 0.00 41.25 39.19 2vhk s ASN 32 CO -0.11 -3.14 1.83 -0.24 -1.51 0.00 0.00 177.10 173.94 2vhk n SER 33 N -4.21 3.36 0.00 -1.22 2.88 -1.26 -1.10 113.62 112.07 2vhk n SER 33 Ca 0.06 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 2vhk n SER 33 Cb 0.55 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 2vhk n SER 33 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2vhk n GLY 34 N 4.26 1.82 3.82 0.46 0.00 0.17 -5.04 105.19 110.68 2vhk n GLY 34 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 2vhk n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vhk s GLU 35 N -0.79 3.60 -0.03 1.61 2.02 -0.26 -4.74 118.70 120.11 2vhk s GLU 35 Ca 0.00 1.12 0.05 0.00 0.02 0.00 0.00 54.97 56.16 2vhk s GLU 35 Cb 0.00 -2.08 -0.01 0.00 0.10 0.00 0.00 34.13 32.14 2vhk s GLU 35 CO 0.00 -0.57 -0.18 -1.12 0.02 0.00 0.00 175.26 173.41 2vhk s SER 36 N -2.82 2.19 -0.09 -0.19 0.01 -1.26 -1.12 113.70 110.42 2vhk s SER 36 Ca 0.62 -0.35 -0.01 0.00 1.31 0.00 0.00 55.95 57.53 2vhk s SER 36 Cb -0.14 -0.41 0.03 0.00 0.21 0.00 0.00 66.02 65.71 2vhk s SER 36 CO 0.33 0.20 -0.04 0.86 0.41 0.00 0.00 173.24 175.00 2vhk s TRP 37 N -0.23 1.07 -0.22 2.43 -0.00 0.34 -4.97 118.94 117.35 2vhk s TRP 37 Ca 0.02 -0.44 -0.09 0.00 -0.00 0.00 0.00 56.10 55.59 2vhk s TRP 37 Cb -0.09 -0.99 -0.05 0.00 -0.00 0.00 0.00 33.47 32.34 2vhk s TRP 37 CO 0.01 -0.40 0.12 0.99 -0.00 0.00 0.00 176.95 177.67 2vhk s THR 38 N 1.72 5.09 0.27 5.86 2.01 -1.26 -0.27 115.64 129.06 2vhk s THR 38 Ca 0.03 0.08 0.09 0.00 0.31 0.00 0.00 61.69 62.20 2vhk s THR 38 Cb -0.13 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 2vhk s THR 38 CO -0.06 0.38 0.05 0.27 -0.69 0.00 0.00 174.62 174.57 2vhk s ILE 39 N 0.91 3.64 -0.17 1.82 -4.36 -0.22 -4.96 121.20 117.86 2vhk s ILE 39 Ca 0.06 -1.79 -0.02 0.00 -0.26 0.00 0.00 60.65 58.64 2vhk s ILE 39 Cb -0.13 -2.97 -0.01 0.00 1.25 0.00 0.00 42.46 40.59 2vhk s ILE 39 CO 0.03 -0.36 -0.09 0.20 0.24 0.00 0.00 174.94 174.96 2vhk s ASN 40 N -3.72 4.21 -0.12 4.36 0.01 -1.26 -1.10 114.94 117.32 2vhk s ASN 40 Ca 0.32 -0.32 0.00 0.00 -0.71 0.00 0.00 52.86 52.15 2vhk s ASN 40 Cb -0.07 -1.68 -0.02 0.00 0.41 0.00 0.00 41.25 39.90 2vhk s ASN 40 CO 0.21 0.10 -0.13 -0.69 -1.51 0.00 0.00 177.10 175.08 2vhk s VAL 41 N 0.75 3.09 0.32 1.60 1.01 0.46 -3.85 120.40 123.79 2vhk s VAL 41 Ca -0.04 -0.66 -0.29 0.00 0.00 0.00 0.00 61.98 61.00 2vhk s VAL 41 Cb -0.15 -2.29 -0.11 0.00 0.00 0.00 0.00 36.38 33.84 2vhk s VAL 41 CO 0.02 0.53 1.41 -0.70 0.00 0.00 0.00 175.10 176.36 2vhk s GLU 42 N 0.23 4.24 0.51 2.72 2.12 -1.26 -0.38 118.70 126.87 2vhk s GLU 42 Ca -0.08 2.37 -0.21 0.00 0.36 0.00 0.00 54.97 57.41 2vhk s GLU 42 Cb -0.15 -3.04 -0.08 0.00 0.26 0.00 0.00 34.13 31.11 2vhk s GLU 42 CO 0.05 -0.38 0.92 -2.30 -0.54 0.00 0.00 175.26 173.01 2vhk n PRO 43 N 1.14 1.07 -0.79 4.30 -0.02 -1.26 -2.34 135.00 137.10 2vhk n PRO 43 Ca 0.02 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 2vhk n PRO 43 Cb 0.40 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 2vhk n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vhk n GLY 44 N 1.31 0.88 3.69 -1.23 0.00 -1.18 -5.00 105.19 103.65 2vhk n GLY 44 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2vhk n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vhk s THR 45 N -3.48 2.70 -0.13 2.61 2.01 -0.99 -4.68 115.64 113.69 2vhk s THR 45 Ca 0.00 0.16 -0.01 0.00 0.31 0.00 0.00 61.69 62.15 2vhk s THR 45 Cb 0.00 -3.11 -0.02 0.00 0.01 0.00 0.00 72.50 69.38 2vhk s THR 45 CO 0.00 -0.00 -0.10 0.21 -0.69 0.00 0.00 174.62 174.04 2vhk s ASN 46 N 2.76 4.30 -0.64 3.53 2.47 -1.26 -0.34 114.94 125.77 2vhk s ASN 46 Ca 0.80 -0.24 -0.02 0.00 0.42 0.00 0.00 52.86 53.82 2vhk s ASN 46 Cb -0.44 -1.59 0.00 0.00 -1.45 0.00 0.00 41.25 37.77 2vhk s ASN 46 CO 0.36 0.19 0.24 0.61 -3.72 0.00 0.00 177.10 174.78 2vhk n GLY 47 N 3.36 0.18 3.83 1.21 0.00 -1.14 -4.95 105.19 107.69 2vhk n GLY 47 Ca -0.18 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 2vhk n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vhk s GLY 48 N -2.88 2.14 -0.00 -0.02 0.00 0.00 -4.54 107.32 102.03 2vhk s GLY 48 Ca 0.12 0.26 -0.02 0.00 0.00 0.00 0.00 44.72 45.08 2vhk s GLY 48 CO 0.15 0.54 0.05 0.54 0.00 0.00 0.00 173.10 174.38 2vhk s LYS 49 N -3.91 0.23 -0.02 2.90 1.02 0.01 -1.29 119.74 118.68 2vhk s LYS 49 Ca 0.60 -0.22 0.06 0.00 0.02 0.00 0.00 55.97 56.43 2vhk s LYS 49 Cb -0.11 0.09 -0.02 0.00 -0.52 0.00 0.00 37.83 37.28 2vhk s LYS 49 CO 0.29 -0.04 -0.21 0.42 -0.92 0.00 0.00 175.35 174.88 2vhk s ILE 50 N -0.71 1.69 0.19 2.17 1.01 -0.09 -1.65 121.20 123.81 2vhk s ILE 50 Ca -0.08 -0.91 -0.12 0.00 0.00 0.00 0.00 60.65 59.55 2vhk s ILE 50 Cb -0.05 -1.41 0.00 0.00 0.01 0.00 0.00 42.46 41.02 2vhk s ILE 50 CO 0.00 0.48 0.39 -1.66 0.00 0.00 0.00 174.94 174.14 2vhk s TRP 51 N -0.44 0.25 0.07 3.97 -2.14 -0.73 -1.37 118.94 118.55 2vhk s TRP 51 Ca 0.07 -0.60 -0.02 0.00 2.66 0.00 0.00 56.10 58.21 2vhk s TRP 51 Cb -0.09 0.11 -0.04 0.00 -3.10 0.00 0.00 33.47 30.35 2vhk s TRP 51 CO -0.00 -0.82 0.25 0.00 -2.66 0.00 0.00 176.95 173.71 2vhk s ALA 52 N -3.95 3.95 0.04 2.67 0.00 -1.26 -0.90 121.76 122.31 2vhk s ALA 52 Ca 0.16 -0.75 0.09 0.00 0.00 0.00 0.00 51.96 51.46 2vhk s ALA 52 Cb 0.01 -1.92 -0.03 0.00 0.00 0.00 0.00 23.12 21.19 2vhk s ALA 52 CO 0.01 0.77 -0.26 1.03 0.00 0.00 0.00 175.76 177.31 2vhk s ARG 53 N -2.41 1.82 0.21 0.00 0.52 -0.30 -4.60 118.95 114.19 2vhk s ARG 53 Ca 0.35 -1.09 0.10 0.00 -0.52 0.00 0.00 55.73 54.57 2vhk s ARG 53 Cb -0.13 -1.97 -0.05 0.00 0.52 0.00 0.00 34.95 33.32 2vhk s ARG 53 CO 0.25 0.51 -0.20 0.95 0.02 0.00 0.00 175.30 176.83 2vhk s THR 54 N -0.79 2.17 -1.29 0.02 -4.23 -1.15 -0.93 115.64 109.45 2vhk s THR 54 Ca 0.11 -2.13 -0.14 0.00 -1.18 0.00 0.00 61.69 58.35 2vhk s THR 54 Cb -0.10 -2.09 0.01 0.00 1.34 0.00 0.00 72.50 71.66 2vhk s THR 54 CO 0.02 -0.31 0.55 0.47 -0.54 0.00 0.00 174.62 174.81 2vhk n ASP 55 N -0.05 -2.62 -4.90 3.99 8.00 -1.26 -1.38 116.55 118.33 2vhk n ASP 55 Ca -0.10 -1.10 -0.30 0.00 0.71 0.00 0.00 54.79 54.00 2vhk n ASP 55 Cb 0.58 -2.72 -0.04 0.00 -0.02 0.00 0.00 41.12 38.92 2vhk n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2vhk s TYR 57 N -1.91 0.47 0.01 0.00 5.04 0.01 -4.99 117.35 115.97 2vhk s TYR 57 Ca 0.44 -0.06 0.05 0.00 -2.44 0.00 0.00 57.07 55.07 2vhk s TYR 57 Cb -0.11 -0.60 -0.02 0.00 0.35 0.00 0.00 41.96 41.58 2vhk s TYR 57 CO 0.26 -0.22 -0.16 -0.06 -1.34 0.00 0.00 175.55 174.03 2vhk s PHE 58 N 1.52 1.42 0.70 4.97 0.08 -1.26 -1.39 117.98 124.02 2vhk s PHE 58 Ca -0.02 -0.30 -0.11 0.00 0.12 0.00 0.00 56.93 56.62 2vhk s PHE 58 Cb -0.13 -0.89 0.16 0.00 -0.57 0.00 0.00 43.02 41.59 2vhk s PHE 58 CO -0.03 0.00 0.95 -0.40 -0.10 0.00 0.00 175.22 175.64 2vhk n ASP 59 N 2.43 0.19 0.19 1.36 5.68 -0.11 -4.90 116.55 121.39 2vhk n ASP 59 Ca -0.15 -1.41 0.14 0.00 -0.50 0.00 0.00 54.79 52.86 2vhk n ASP 59 Cb 0.54 -0.72 0.64 0.00 -1.14 0.00 0.00 41.12 40.45 2vhk n ASP 59 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2vhk h ASP 60 N -1.18 0.00 0.12 -1.12 3.32 -2.02 -1.73 116.42 113.81 2vhk h ASP 60 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2vhk h ASP 60 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.42 2vhk h ASP 60 CO 0.23 0.00 -0.25 -1.54 -1.72 0.00 0.00 179.24 175.96 2vhk n SER 61 N -2.51 1.45 0.00 6.45 3.41 -1.26 -4.95 113.62 116.21 2vhk n SER 61 Ca 0.00 -1.20 0.00 0.00 -0.26 0.00 0.00 58.87 57.42 2vhk n SER 61 Cb 0.18 0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 2vhk n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2vhk n GLY 62 N 1.33 0.61 3.55 5.00 0.00 -0.65 -4.98 105.19 110.05 2vhk n GLY 62 Ca 0.13 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 2vhk n GLY 62 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2vhk s SER 63 N -2.76 4.53 0.00 1.61 0.15 -1.26 -0.69 113.70 115.28 2vhk s SER 63 Ca 0.00 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.57 2vhk s SER 63 Cb 0.00 -1.20 0.00 0.00 -1.71 0.00 0.00 66.02 63.11 2vhk s SER 63 CO 0.00 0.33 0.00 0.61 1.20 0.00 0.00 173.24 175.38 2vhk n GLY 64 N 2.43 -0.84 3.37 9.45 0.00 0.19 -0.93 105.19 118.85 2vhk n GLY 64 Ca -0.18 0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 2vhk n GLY 64 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2vhk s ILE 65 N -2.39 0.03 0.07 -0.61 2.07 -0.48 -4.33 121.20 115.55 2vhk s ILE 65 Ca 0.00 -0.21 0.07 0.00 -1.41 0.00 0.00 60.65 59.10 2vhk s ILE 65 Cb 0.00 -0.76 -0.03 0.00 0.13 0.00 0.00 42.46 41.80 2vhk s ILE 65 CO 0.00 -0.11 -0.18 0.00 -1.91 0.00 0.00 174.94 172.73 2vhk h LYS 67 N 4.46 0.00 -5.38 0.00 1.57 -1.26 -3.39 116.57 112.57 2vhk h LYS 67 Ca -0.43 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 57.87 2vhk h LYS 67 Cb 1.18 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 33.21 2vhk h LYS 67 CO 0.41 0.80 -0.81 0.95 -0.57 0.00 0.00 179.45 180.23 2vhk s THR 68 N -2.90 1.17 -0.25 -0.16 -4.23 -1.20 -4.69 115.64 103.38 2vhk s THR 68 Ca 0.02 -0.76 0.00 0.00 -1.18 0.00 0.00 61.69 59.76 2vhk s THR 68 Cb 0.10 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.94 2vhk s THR 68 CO 0.79 0.23 0.00 0.61 -0.54 0.00 0.00 174.62 175.70 2vhk n GLY 69 N 2.43 0.54 3.71 3.99 0.00 0.07 -2.93 105.19 113.01 2vhk n GLY 69 Ca -0.15 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 2vhk n GLY 69 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2vhk n ASP 70 N 0.18 3.47 -4.00 1.61 -0.08 -1.26 -3.84 116.55 112.63 2vhk n ASP 70 Ca -0.02 1.13 -0.33 0.00 -1.51 0.00 0.00 54.79 54.06 2vhk n ASP 70 Cb 0.17 -1.53 -0.08 0.00 2.34 0.00 0.00 41.12 42.02 2vhk n ASP 70 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2vhk n GLY 72 N 2.07 0.07 2.21 0.00 0.00 -1.26 -2.26 105.19 106.02 2vhk n GLY 72 Ca 0.22 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 46.19 2vhk n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vhk n GLY 73 N -0.89 0.55 3.86 -0.02 0.00 -1.26 -4.93 105.19 102.50 2vhk n GLY 73 Ca -0.23 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 2vhk n GLY 73 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vhk s LEU 74 N -0.51 4.29 0.10 0.99 1.43 -0.96 0.55 118.68 124.57 2vhk s LEU 74 Ca 0.00 0.39 -0.19 0.00 -1.03 0.00 0.00 54.13 53.30 2vhk s LEU 74 Cb 0.00 -2.19 -0.07 0.00 0.03 0.00 0.00 46.19 43.96 2vhk s LEU 74 CO 0.00 0.36 1.62 0.25 0.23 0.00 0.00 176.35 178.82 2vhk h LEU 75 N 4.66 0.34 -7.98 1.79 5.85 -1.25 -3.38 115.31 115.34 2vhk h LEU 75 Ca -0.53 -0.19 -0.73 0.00 0.84 0.00 0.00 57.88 57.27 2vhk h LEU 75 Cb 1.21 -0.09 -0.22 0.00 0.37 0.00 0.00 40.66 41.94 2vhk h LEU 75 CO 0.61 0.44 0.32 -0.13 -0.34 0.00 0.00 178.44 179.34 2vhk s ARG 76 N -5.47 3.42 0.25 1.25 0.52 -1.26 -3.87 118.95 113.79 2vhk s ARG 76 Ca -0.14 -1.90 -0.30 0.00 -0.52 0.00 0.00 55.73 52.88 2vhk s ARG 76 Cb 0.08 -4.53 -0.10 0.00 0.52 0.00 0.00 34.95 30.92 2vhk s ARG 76 CO 0.72 -1.52 1.45 0.00 0.02 0.00 0.00 175.30 175.97 2vhk n LYS 78 N 2.38 2.85 -4.36 0.00 5.02 -1.26 -3.86 118.16 118.93 2vhk n LYS 78 Ca 0.07 -0.03 -0.18 0.00 -2.02 0.00 0.00 58.31 56.15 2vhk n LYS 78 Cb 0.40 -1.03 -0.10 0.00 -0.02 0.00 0.00 35.03 34.28 2vhk n LYS 78 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2vhk s ARG 79 N -2.11 1.50 0.80 1.97 1.81 -1.26 -1.67 118.95 119.98 2vhk s ARG 79 Ca 0.01 -1.82 -0.11 0.00 -1.72 0.00 0.00 55.73 52.10 2vhk s ARG 79 Cb 0.07 -0.48 0.07 0.00 -0.45 0.00 0.00 34.95 34.16 2vhk s ARG 79 CO 0.39 -0.26 1.09 -0.06 -0.68 0.00 0.00 175.30 175.78 2vhk s PHE 80 N -3.59 2.58 0.30 -0.53 0.08 -1.26 -4.82 117.98 110.73 2vhk s PHE 80 Ca 0.37 1.46 -0.01 0.00 0.12 0.00 0.00 56.93 58.88 2vhk s PHE 80 Cb 0.08 -3.06 -0.04 0.00 -0.57 0.00 0.00 43.02 39.43 2vhk s PHE 80 CO 0.14 -1.88 0.50 0.20 -0.10 0.00 0.00 175.22 174.08 2vhk s GLY 81 N -3.46 1.53 0.03 4.36 0.00 -1.26 -4.56 107.32 103.96 2vhk s GLY 81 Ca 0.61 -0.84 -0.30 0.00 0.00 0.00 0.00 44.72 44.18 2vhk s GLY 81 CO 0.56 -0.78 1.33 -1.60 0.00 0.00 0.00 173.10 172.61 2vhk s ARG 82 N -3.92 4.33 0.79 2.90 6.06 0.18 -4.84 118.95 124.45 2vhk s ARG 82 Ca 0.40 1.91 -0.14 0.00 -2.50 0.00 0.00 55.73 55.40 2vhk s ARG 82 Cb -0.10 -3.46 0.06 0.00 0.06 0.00 0.00 34.95 31.51 2vhk s ARG 82 CO 0.33 -0.47 1.08 -2.30 -2.50 0.00 0.00 175.30 171.44 2vhk n PRO 83 N 4.76 0.26 -2.98 5.12 -0.02 -1.26 -0.75 135.00 140.13 2vhk n PRO 83 Ca 0.12 0.16 -0.40 0.00 -2.02 0.00 0.00 63.50 61.36 2vhk n PRO 83 Cb 0.44 -2.34 -0.05 0.00 -0.02 0.00 0.00 33.50 31.53 2vhk n PRO 83 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2vhk s PRO 84 N -3.83 4.52 -0.10 0.52 0.04 -1.26 -4.66 135.00 130.23 2vhk s PRO 84 Ca 0.72 1.11 -0.04 0.00 0.04 0.00 0.00 61.00 62.84 2vhk s PRO 84 Cb -0.30 -3.33 0.05 0.00 0.04 0.00 0.00 34.50 30.96 2vhk s PRO 84 CO 0.52 0.38 0.16 0.95 0.04 0.00 0.00 177.00 179.05 2vhk s THR 85 N -0.43 -0.26 0.22 1.26 -4.23 -0.41 -4.08 115.64 107.71 2vhk s THR 85 Ca 0.38 0.27 -0.30 0.00 -1.18 0.00 0.00 61.69 60.86 2vhk s THR 85 Cb -0.21 -0.36 -0.09 0.00 1.34 0.00 0.00 72.50 73.17 2vhk s THR 85 CO 0.24 0.08 1.39 -0.89 -0.54 0.00 0.00 174.62 174.90 2vhk s THR 86 N 2.29 2.90 -0.12 3.99 2.01 -1.19 -4.32 115.64 121.20 2vhk s THR 86 Ca 0.04 0.74 0.03 0.00 0.31 0.00 0.00 61.69 62.81 2vhk s THR 86 Cb -0.13 -3.48 0.00 0.00 0.01 0.00 0.00 72.50 68.91 2vhk s THR 86 CO -0.07 0.11 -0.22 -0.76 -0.69 0.00 0.00 174.62 172.99 2vhk s LEU 87 N -0.17 2.14 -0.27 4.42 1.43 -0.69 -4.51 118.68 121.03 2vhk s LEU 87 Ca 0.59 -0.57 -0.19 0.00 -1.03 0.00 0.00 54.13 52.93 2vhk s LEU 87 Cb -0.40 -1.44 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 2vhk s LEU 87 CO 0.40 0.12 0.56 0.00 0.23 0.00 0.00 176.35 177.66 2vhk s ALA 88 N 0.61 3.58 0.00 4.21 0.00 -0.47 -1.03 121.76 128.66 2vhk s ALA 88 Ca -0.12 -0.60 0.08 0.00 0.00 0.00 0.00 51.96 51.32 2vhk s ALA 88 Cb -0.17 -2.97 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 2vhk s ALA 88 CO 0.03 -0.85 -0.24 -1.21 0.00 0.00 0.00 175.76 173.48 2vhk s GLU 89 N 2.42 1.87 -0.06 0.00 2.02 -0.06 -0.91 118.70 123.98 2vhk s GLU 89 Ca 0.23 -0.94 -0.24 0.00 0.02 0.00 0.00 54.97 54.04 2vhk s GLU 89 Cb -0.15 -1.89 0.05 0.00 0.10 0.00 0.00 34.13 32.24 2vhk s GLU 89 CO 0.10 0.51 0.53 -0.59 0.02 0.00 0.00 175.26 175.83 2vhk s PHE 90 N -0.65 -0.48 -0.06 1.61 -0.71 -0.41 -1.28 117.98 116.00 2vhk s PHE 90 Ca 0.10 0.87 0.01 0.00 -1.04 0.00 0.00 56.93 56.86 2vhk s PHE 90 Cb -0.09 0.27 0.02 0.00 -1.21 0.00 0.00 43.02 42.01 2vhk s PHE 90 CO 0.00 -0.49 -0.05 -1.12 -1.34 0.00 0.00 175.22 172.22 2vhk s SER 91 N -1.05 1.30 0.02 1.98 0.01 -0.47 -0.82 113.70 114.67 2vhk s SER 91 Ca -0.11 -0.17 0.03 0.00 1.31 0.00 0.00 55.95 57.02 2vhk s SER 91 Cb -0.02 -0.55 -0.04 0.00 0.21 0.00 0.00 66.02 65.62 2vhk s SER 91 CO 0.07 -0.07 -0.05 -0.76 0.41 0.00 0.00 173.24 172.85 2vhk s LEU 92 N 1.10 3.28 -1.23 2.44 1.43 0.54 -0.85 118.68 125.39 2vhk s LEU 92 Ca -0.08 -0.13 -0.08 0.00 -1.03 0.00 0.00 54.13 52.82 2vhk s LEU 92 Cb -0.14 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 2vhk s LEU 92 CO -0.01 0.27 0.72 0.59 0.23 0.00 0.00 176.35 178.15 2vhk n ASN 93 N 1.38 -3.17 -4.27 2.29 3.02 -0.95 -3.12 115.26 110.44 2vhk n ASN 93 Ca -0.15 -0.90 -0.43 0.00 -0.03 0.00 0.00 54.58 53.07 2vhk n ASN 93 Cb 0.52 -3.84 -0.07 0.00 -0.61 0.00 0.00 39.78 35.79 2vhk n ASN 93 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2vhk s GLN 94 N -5.85 2.75 -1.52 3.52 -1.52 0.65 -4.47 119.66 113.22 2vhk s GLN 94 Ca 0.22 -1.69 -0.10 0.00 -1.95 0.00 0.00 55.36 51.84 2vhk s GLN 94 Cb -0.07 -4.10 0.08 0.00 -0.22 0.00 0.00 33.01 28.70 2vhk s GLN 94 CO 0.83 -1.22 0.80 0.66 -0.25 0.00 0.00 175.29 176.10 2vhk n TYR 95 N 5.08 -2.00 -0.27 0.91 4.02 -1.26 -2.35 117.16 121.30 2vhk n TYR 95 Ca -0.11 0.84 0.00 0.00 -0.01 0.00 0.00 57.90 58.62 2vhk n TYR 95 Cb 0.41 -3.76 0.00 0.00 -0.02 0.00 0.00 39.34 35.97 2vhk n TYR 95 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2vhk n GLY 96 N -1.66 0.78 3.28 2.72 0.00 -1.26 -5.04 105.19 104.02 2vhk n GLY 96 Ca -0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 2vhk n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vhk s LYS 97 N -0.64 1.17 0.16 1.61 -0.14 -0.99 -2.24 119.74 118.67 2vhk s LYS 97 Ca 0.00 -1.53 0.06 0.00 -1.36 0.00 0.00 55.97 53.14 2vhk s LYS 97 Cb 0.00 -0.71 -0.04 0.00 -1.68 0.00 0.00 37.83 35.41 2vhk s LYS 97 CO 0.00 0.05 0.06 -0.51 -0.76 0.00 0.00 175.35 174.19 2vhk s ASP 98 N -3.23 5.14 -0.05 2.83 1.01 -0.01 -0.26 116.67 122.10 2vhk s ASP 98 Ca 0.20 -0.25 0.01 0.00 0.71 0.00 0.00 52.55 53.23 2vhk s ASP 98 Cb 0.03 -1.23 0.02 0.00 1.01 0.00 0.00 42.92 42.75 2vhk s ASP 98 CO 0.03 0.09 -0.06 -0.31 0.21 0.00 0.00 175.17 175.14 2vhk s TYR 99 N -1.68 0.94 0.08 4.23 2.02 -0.03 -0.39 117.35 122.52 2vhk s TYR 99 Ca 0.29 -0.31 0.05 0.00 -0.37 0.00 0.00 57.07 56.73 2vhk s TYR 99 Cb -0.10 -0.80 -0.03 0.00 -0.40 0.00 0.00 41.96 40.63 2vhk s TYR 99 CO 0.21 -0.24 -0.15 0.96 -1.57 0.00 0.00 175.55 174.77 2vhk s ILE 100 N 0.97 1.19 0.24 2.71 -4.36 -0.47 -1.36 121.20 120.11 2vhk s ILE 100 Ca -0.10 -1.41 -0.19 0.00 -0.26 0.00 0.00 60.65 58.69 2vhk s ILE 100 Cb -0.14 -1.20 0.03 0.00 1.25 0.00 0.00 42.46 42.39 2vhk s ILE 100 CO 0.00 -0.26 0.62 1.51 0.24 0.00 0.00 174.94 177.06 2vhk s ASP 101 N -1.90 -0.28 -0.00 4.36 1.47 -0.40 -0.60 116.67 119.31 2vhk s ASP 101 Ca 0.01 -0.53 0.04 0.00 1.18 0.00 0.00 52.55 53.25 2vhk s ASP 101 Cb -0.09 0.66 -0.03 0.00 -0.34 0.00 0.00 42.92 43.12 2vhk s ASP 101 CO 0.02 -1.20 -0.11 -0.63 0.68 0.00 0.00 175.17 173.94 2vhk s ILE 102 N -3.90 3.34 -0.01 2.11 1.01 -1.26 -0.88 121.20 121.61 2vhk s ILE 102 Ca 0.11 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 59.95 2vhk s ILE 102 Cb -0.03 -2.41 -0.01 0.00 0.01 0.00 0.00 42.46 40.01 2vhk s ILE 102 CO 0.02 0.43 -0.13 -0.55 0.00 0.00 0.00 174.94 174.71 2vhk s SER 103 N -1.26 1.53 -0.08 3.58 0.15 -0.19 -1.32 113.70 116.10 2vhk s SER 103 Ca 0.15 -0.24 0.15 0.00 0.70 0.00 0.00 55.95 56.72 2vhk s SER 103 Cb -0.11 -0.22 0.51 0.00 -1.71 0.00 0.00 66.02 64.49 2vhk s SER 103 CO 0.05 0.15 1.43 0.59 1.20 0.00 0.00 173.24 176.66 2vhk n ASN 104 N 2.86 3.79 0.24 5.45 5.03 0.32 -1.71 115.26 131.25 2vhk n ASN 104 Ca -0.15 -2.38 0.08 0.00 0.87 0.00 0.00 54.58 53.00 2vhk n ASN 104 Cb 0.55 -0.43 0.60 0.00 -1.02 0.00 0.00 39.78 39.49 2vhk n ASN 104 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 2vhk h ILE 105 N 2.75 0.91 -0.66 2.41 2.04 -1.82 -0.96 117.51 122.18 2vhk h ILE 105 Ca 0.00 -0.55 -0.30 0.00 1.00 0.00 0.00 64.86 65.01 2vhk h ILE 105 Cb 1.14 1.31 -0.18 0.00 -0.74 0.00 0.00 36.82 38.35 2vhk h ILE 105 CO 0.13 0.15 0.27 0.29 0.00 0.00 0.00 178.15 178.98 2vhk n LYS 106 N -4.07 2.39 0.00 2.37 4.76 -1.26 -4.72 118.16 117.63 2vhk n LYS 106 Ca -0.02 -3.08 0.00 0.00 -2.87 0.00 0.00 58.31 52.34 2vhk n LYS 106 Cb 0.23 -2.03 0.00 0.00 -1.84 0.00 0.00 35.03 31.39 2vhk n LYS 106 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2vhk n GLY 107 N -0.93 -2.14 2.81 0.72 0.00 -0.36 -1.29 105.19 104.00 2vhk n GLY 107 Ca 0.44 -1.53 -0.15 0.00 0.00 0.00 0.00 46.02 44.79 2vhk n GLY 107 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2vhk s PHE 108 N -0.17 0.08 0.00 1.61 2.19 -0.27 -3.15 117.98 118.26 2vhk s PHE 108 Ca 0.00 0.07 0.00 0.00 0.33 0.00 0.00 56.93 57.33 2vhk s PHE 108 Cb 0.00 -0.21 0.00 0.00 -1.31 0.00 0.00 43.02 41.50 2vhk s PHE 108 CO 0.00 -0.07 0.00 0.27 1.83 0.00 0.00 175.22 177.25 2vhk n ASN 109 N 3.87 1.48 -3.97 6.13 6.94 -1.26 -0.80 115.26 127.64 2vhk n ASN 109 Ca -0.23 0.00 -0.18 0.00 -0.02 0.00 0.00 54.58 54.15 2vhk n ASN 109 Cb 0.53 0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 37.80 2vhk n ASN 109 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2vhk s VAL 110 N -1.96 0.55 0.62 3.53 1.01 -1.26 -4.85 120.40 118.03 2vhk s VAL 110 Ca 0.00 -0.27 -0.17 0.00 0.00 0.00 0.00 61.98 61.54 2vhk s VAL 110 Cb 0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 2vhk s VAL 110 CO 0.00 0.17 1.12 -2.16 0.00 0.00 0.00 175.10 174.23 2vhk s PRO 111 N -0.00 3.00 -0.02 2.72 0.04 -1.26 -4.64 135.00 134.82 2vhk s PRO 111 Ca 0.00 1.48 -0.22 0.00 0.04 0.00 0.00 61.00 62.31 2vhk s PRO 111 Cb -0.05 -1.97 0.04 0.00 0.04 0.00 0.00 34.50 32.57 2vhk s PRO 111 CO -0.00 -1.11 0.47 0.00 0.04 0.00 0.00 177.00 176.40 2vhk s MET 112 N -3.79 0.84 -0.06 4.56 0.23 -0.46 -0.83 119.30 119.79 2vhk s MET 112 Ca 0.69 -0.02 0.04 0.00 -1.03 0.00 0.00 55.69 55.38 2vhk s MET 112 Cb -0.22 0.39 -0.02 0.00 -1.53 0.00 0.00 34.83 33.45 2vhk s MET 112 CO 0.36 -0.25 -0.18 1.21 -2.03 0.00 0.00 175.02 174.13 2vhk s ASN 113 N -1.31 3.71 -0.26 -1.18 3.84 0.00 -0.58 114.94 119.16 2vhk s ASN 113 Ca -0.12 -0.31 -0.01 0.00 0.21 0.00 0.00 52.86 52.63 2vhk s ASN 113 Cb -0.03 -0.90 0.08 0.00 -0.55 0.00 0.00 41.25 39.85 2vhk s ASN 113 CO 0.06 0.29 0.03 0.12 -2.79 0.00 0.00 177.10 174.82 2vhk s PHE 114 N -0.43 1.84 0.07 0.43 5.36 0.19 -0.61 117.98 124.82 2vhk s PHE 114 Ca 0.05 -1.58 0.05 0.00 -0.96 0.00 0.00 56.93 54.49 2vhk s PHE 114 Cb -0.12 -1.56 -0.03 0.00 -0.34 0.00 0.00 43.02 40.97 2vhk s PHE 114 CO 0.02 -0.78 -0.14 -1.12 -1.46 0.00 0.00 175.22 171.74 2vhk s SER 115 N 1.58 1.65 0.56 6.13 0.01 -0.52 -0.98 113.70 122.14 2vhk s SER 115 Ca 0.02 -0.60 -0.19 0.00 1.31 0.00 0.00 55.95 56.50 2vhk s SER 115 Cb -0.18 -0.05 -0.05 0.00 0.21 0.00 0.00 66.02 65.95 2vhk s SER 115 CO -0.14 -0.07 1.15 -2.16 0.41 0.00 0.00 173.24 172.43 2vhk s PRO 116 N -1.68 3.22 0.00 12.44 0.04 -1.26 -0.45 135.00 147.31 2vhk s PRO 116 Ca -0.02 1.65 0.19 0.00 0.04 0.00 0.00 61.00 62.86 2vhk s PRO 116 Cb -0.10 -1.98 0.21 0.00 0.04 0.00 0.00 34.50 32.67 2vhk s PRO 116 CO 0.02 -0.96 1.16 0.25 0.04 0.00 0.00 177.00 177.51 2vhk n THR 117 N -1.45 0.16 -4.55 1.26 -2.24 0.43 -4.74 114.28 103.15 2vhk n THR 117 Ca 0.12 -0.58 -0.25 0.00 -2.27 0.00 0.00 64.05 61.06 2vhk n THR 117 Cb 0.51 1.25 -0.11 0.00 -2.10 0.00 0.00 70.33 69.88 2vhk n THR 117 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2vhk s THR 118 N -1.50 1.67 0.69 4.28 -4.23 -1.24 -4.96 115.64 110.34 2vhk s THR 118 Ca 0.25 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.65 2vhk s THR 118 Cb 0.17 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 71.09 2vhk s THR 118 CO 0.25 0.00 1.06 -0.13 -0.54 0.00 0.00 174.62 175.25 2vhk s ARG 119 N -3.78 3.03 0.00 3.99 0.52 -1.26 -4.62 118.95 116.82 2vhk s ARG 119 Ca 0.36 0.85 0.00 0.00 -0.52 0.00 0.00 55.73 56.42 2vhk s ARG 119 Cb 0.09 -2.01 0.00 0.00 0.52 0.00 0.00 34.95 33.56 2vhk s ARG 119 CO 0.17 -1.01 0.00 0.41 0.02 0.00 0.00 175.30 174.89 2vhk n GLY 120 N -2.24 0.75 3.81 -3.53 0.00 -1.26 -4.61 105.19 98.11 2vhk n GLY 120 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 2vhk n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vhk s ARG 122 N -3.43 3.04 0.64 0.00 1.70 -1.26 -4.79 118.95 114.85 2vhk s ARG 122 Ca 0.12 -0.73 0.00 0.00 -0.47 0.00 0.00 55.73 54.66 2vhk s ARG 122 Cb -0.04 -2.66 0.08 0.00 -0.57 0.00 0.00 34.95 31.76 2vhk s ARG 122 CO 0.05 -0.18 0.89 0.20 -1.08 0.00 0.00 175.30 175.18 2vhk s GLY 123 N -4.22 1.79 0.10 3.88 0.00 -1.26 -4.56 107.32 103.04 2vhk s GLY 123 Ca 0.48 -1.53 0.09 0.00 0.00 0.00 0.00 44.72 43.76 2vhk s GLY 123 CO 0.35 -1.10 -0.24 0.14 0.00 0.00 0.00 173.10 172.25 2vhk s VAL 124 N -2.96 2.00 -0.04 1.40 1.01 -0.15 -4.98 120.40 116.68 2vhk s VAL 124 Ca 0.62 -1.57 -0.11 0.00 0.00 0.00 0.00 61.98 60.92 2vhk s VAL 124 Cb -0.08 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.55 2vhk s VAL 124 CO 0.41 0.10 0.24 -0.60 0.00 0.00 0.00 175.10 175.26 2vhk s ARG 125 N -1.78 0.49 -0.41 2.72 3.52 -1.26 -0.64 118.95 121.59 2vhk s ARG 125 Ca 0.11 -0.05 0.04 0.00 -0.13 0.00 0.00 55.73 55.70 2vhk s ARG 125 Cb -0.10 0.22 0.18 0.00 -1.56 0.00 0.00 34.95 33.69 2vhk s ARG 125 CO 0.04 -0.11 0.36 0.00 -0.81 0.00 0.00 175.30 174.79 2vhk n ALA 127 N 2.68 2.22 -1.20 0.00 0.00 -1.26 -1.36 120.51 121.59 2vhk n ALA 127 Ca 0.29 -0.72 -0.30 0.00 0.00 0.00 0.00 53.44 52.71 2vhk n ALA 127 Cb 0.49 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.08 2vhk n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vhk s ALA 128 N -0.45 1.53 -1.42 0.00 0.00 -1.26 -4.90 121.76 115.26 2vhk s ALA 128 Ca 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 51.96 51.78 2vhk s ALA 128 Cb 0.00 -3.19 0.07 0.00 0.00 0.00 0.00 23.12 20.00 2vhk s ALA 128 CO 0.00 -2.37 2.25 -3.47 0.00 0.00 0.00 175.76 172.17 2vhk n ASP 129 N -3.89 5.43 -0.20 0.00 2.03 -1.26 -4.71 116.55 113.93 2vhk n ASP 129 Ca 0.07 -2.91 -0.05 0.00 0.52 0.00 0.00 54.79 52.42 2vhk n ASP 129 Cb 0.55 -1.56 0.13 0.00 -0.72 0.00 0.00 41.12 39.52 2vhk n ASP 129 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2vhk h ILE 130 N 3.62 1.24 -0.35 5.18 2.04 -1.96 -1.54 117.51 125.75 2vhk h ILE 130 Ca 0.58 -0.86 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 2vhk h ILE 130 Cb 0.55 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2vhk h ILE 130 CO 1.75 0.33 0.08 0.58 0.00 0.00 0.00 178.15 180.90 2vhk h VAL 131 N 0.96 1.22 -0.44 1.67 2.07 -1.89 -0.31 116.25 119.54 2vhk h VAL 131 Ca 0.21 -0.76 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 2vhk h VAL 131 Cb 0.30 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 2vhk h VAL 131 CO -0.01 0.26 0.10 1.23 0.02 0.00 0.00 177.57 179.17 2vhk h GLY 132 N 0.40 0.71 -0.62 2.17 0.00 -1.89 -2.89 103.07 100.95 2vhk h GLY 132 Ca 0.11 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2vhk h GLY 132 CO 0.00 0.37 -0.16 -1.06 0.00 0.00 0.00 176.54 175.69 2vhk n GLN 133 N -4.30 1.46 -1.62 4.80 1.13 -0.60 -5.00 117.38 113.25 2vhk n GLN 133 Ca 0.03 -1.01 -0.48 0.00 -1.94 0.00 0.00 57.00 53.61 2vhk n GLN 133 Cb 0.21 -1.48 -0.04 0.00 0.11 0.00 0.00 30.24 29.04 2vhk n GLN 133 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2vhk n PRO 135 N 2.00 1.70 -0.27 0.00 -0.02 -1.26 -4.81 135.00 132.33 2vhk n PRO 135 Ca 0.14 0.60 0.06 0.00 -2.02 0.00 0.00 63.50 62.28 2vhk n PRO 135 Cb 0.27 -2.14 0.20 0.00 -0.02 0.00 0.00 33.50 31.81 2vhk n PRO 135 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vhk h ALA 136 N 2.06 1.13 0.00 3.55 0.00 -1.98 -0.46 119.26 123.56 2vhk h ALA 136 Ca -0.44 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2vhk h ALA 136 Cb 1.31 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2vhk h ALA 136 CO 0.60 -0.19 0.00 0.87 0.00 0.00 0.00 179.25 180.53 2vhk h LYS 137 N 0.48 0.00 -0.00 0.00 1.57 -2.02 -2.74 116.57 113.86 2vhk h LYS 137 Ca 0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 2vhk h LYS 137 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 2vhk h LYS 137 CO -0.40 0.00 -0.78 1.28 -0.57 0.00 0.00 179.45 178.97 2vhk n LEU 138 N -2.58 0.88 -4.72 2.94 4.77 -0.21 -4.95 117.00 113.13 2vhk n LEU 138 Ca 0.02 -0.33 -0.42 0.00 -0.03 0.00 0.00 56.01 55.24 2vhk n LEU 138 Cb 0.27 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 2vhk n LEU 138 CO 0.23 0.21 1.24 -0.54 -1.33 0.00 0.00 177.39 177.20 2vhk s LYS 139 N -2.96 4.20 -0.21 3.23 1.02 -1.04 -0.51 119.74 123.47 2vhk s LYS 139 Ca 0.10 2.39 -0.20 0.00 0.02 0.00 0.00 55.97 58.28 2vhk s LYS 139 Cb 0.17 -3.14 -0.03 0.00 -0.52 0.00 0.00 37.83 34.32 2vhk s LYS 139 CO 0.79 -0.61 0.61 0.00 -0.92 0.00 0.00 175.35 175.21 2vhk s ALA 140 N 1.01 3.56 0.58 5.17 0.00 -0.66 -4.83 121.76 126.58 2vhk s ALA 140 Ca 0.69 -0.33 0.28 0.00 0.00 0.00 0.00 51.96 52.60 2vhk s ALA 140 Cb -0.44 -2.95 1.72 0.00 0.00 0.00 0.00 23.12 21.44 2vhk s ALA 140 CO 0.33 -0.58 2.19 -1.35 0.00 0.00 0.00 175.76 176.35 2vhk h PRO 141 N 7.56 0.00 0.00 0.00 0.11 -1.92 0.11 132.00 137.86 2vhk h PRO 141 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2vhk h PRO 141 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2vhk h PRO 141 CO 0.76 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.96 2vhk n GLY 142 N -1.37 -1.23 0.00 -0.55 0.00 -1.26 -4.99 105.19 95.79 2vhk n GLY 142 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2vhk n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vhk n GLY 143 N 1.20 3.43 1.21 -0.02 0.00 0.03 -4.67 105.19 106.37 2vhk n GLY 143 Ca 0.15 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.56 2vhk n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vhk n GLY 144 N -0.25 -2.70 2.99 -0.02 0.00 -1.26 -4.57 105.19 99.38 2vhk n GLY 144 Ca 0.00 -1.89 -0.31 0.00 0.00 0.00 0.00 46.02 43.82 2vhk n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vhk s ASN 146 N 1.24 5.63 0.73 0.00 0.01 0.33 -1.12 114.94 121.76 2vhk s ASN 146 Ca -0.04 2.24 -0.11 0.00 -0.71 0.00 0.00 52.86 54.24 2vhk s ASN 146 Cb -0.19 -2.59 0.03 0.00 0.41 0.00 0.00 41.25 38.91 2vhk s ASN 146 CO -0.07 -1.28 1.07 1.51 -1.51 0.00 0.00 177.10 176.82 2vhk s ASP 147 N -1.69 5.00 0.37 -1.22 -4.77 -1.26 -4.81 116.67 108.29 2vhk s ASP 147 Ca 0.73 1.71 0.16 0.00 -3.30 0.00 0.00 52.55 51.85 2vhk s ASP 147 Cb -0.26 -2.51 0.72 0.00 -1.09 0.00 0.00 42.92 39.78 2vhk s ASP 147 CO 0.29 -1.70 1.79 0.00 0.70 0.00 0.00 175.17 176.25 2vhk h ALA 148 N -0.87 1.18 -0.01 2.11 0.00 -1.92 -2.73 119.26 117.03 2vhk h ALA 148 Ca -0.44 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.11 2vhk h ALA 148 Cb 1.22 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2vhk h ALA 148 CO 0.54 0.49 0.00 0.00 0.00 0.00 0.00 179.25 180.29 2vhk h THR 150 N -0.08 0.74 -0.02 0.00 2.02 -1.86 0.03 112.91 113.73 2vhk h THR 150 Ca 0.00 -0.18 -0.12 0.00 0.77 0.00 0.00 66.41 66.88 2vhk h THR 150 Cb 0.09 0.16 0.01 0.00 -1.74 0.00 0.00 68.15 66.67 2vhk h THR 150 CO -0.00 0.10 -0.45 0.58 0.37 0.00 0.00 175.52 176.12 2vhk h VAL 151 N 0.54 1.45 0.00 3.16 2.07 -1.27 -3.41 116.25 118.79 2vhk h VAL 151 Ca 0.40 -1.95 0.00 0.00 0.82 0.00 0.00 66.70 65.97 2vhk h VAL 151 Cb 0.54 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 2vhk h VAL 151 CO -0.34 0.56 -1.12 0.49 0.02 0.00 0.00 177.57 177.17 2vhk n PHE 152 N -4.33 0.00 -3.63 1.57 3.72 -0.09 -5.04 117.46 109.66 2vhk n PHE 152 Ca -0.10 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.09 2vhk n PHE 152 Cb 0.59 -0.14 0.06 0.00 -0.94 0.00 0.00 39.48 39.05 2vhk n PHE 152 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2vhk n GLN 153 N -1.63 -6.08 -4.11 -1.08 1.13 -0.02 -4.99 117.38 100.60 2vhk n GLN 153 Ca -0.01 0.72 -0.25 0.00 -1.94 0.00 0.00 57.00 55.52 2vhk n GLN 153 Cb 0.18 -5.57 -0.06 0.00 0.11 0.00 0.00 30.24 24.91 2vhk n GLN 153 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2vhk s THR 154 N -3.45 4.34 0.35 5.09 -4.23 -1.26 -5.01 115.64 111.46 2vhk s THR 154 Ca 0.21 -1.21 0.04 0.00 -1.18 0.00 0.00 61.69 59.54 2vhk s THR 154 Cb -0.10 -3.24 0.28 0.00 1.34 0.00 0.00 72.50 70.79 2vhk s THR 154 CO 0.78 -0.16 1.96 -1.28 -0.54 0.00 0.00 174.62 175.38 2vhk h SER 155 N 2.27 0.74 -0.28 3.99 0.87 -1.96 -0.67 113.55 118.51 2vhk h SER 155 Ca -0.48 -0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.04 2vhk h SER 155 Cb 1.21 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 63.00 2vhk h SER 155 CO 0.62 0.49 0.01 -0.08 -0.53 0.00 0.00 176.83 177.34 2vhk h GLU 156 N 0.85 0.48 0.00 2.24 4.57 -1.95 0.84 114.58 121.61 2vhk h GLU 156 Ca 0.31 -0.15 -0.20 0.00 -1.18 0.00 0.00 59.36 58.14 2vhk h GLU 156 Cb 0.14 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 2vhk h GLU 156 CO -0.10 0.63 -0.87 1.88 -1.18 0.00 0.00 179.01 179.37 2vhk h TYR 157 N 0.27 0.31 -0.00 0.92 0.05 -1.86 -3.26 116.97 113.40 2vhk h TYR 157 Ca 0.08 -0.17 0.00 0.00 0.05 0.00 0.00 58.73 58.69 2vhk h TYR 157 Cb 0.41 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.11 2vhk h TYR 157 CO 0.03 0.98 -0.40 0.00 -1.05 0.00 0.00 178.16 177.72 2vhk h THR 160 N -1.92 0.83 -0.02 0.00 2.02 -1.78 -0.51 112.91 111.52 2vhk h THR 160 Ca -0.55 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.34 2vhk h THR 160 Cb 1.36 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2vhk h THR 160 CO 0.63 0.15 -0.12 0.35 0.37 0.00 0.00 175.52 176.91 2vhk n THR 161 N -4.73 0.00 -0.99 3.16 -2.24 -1.26 -4.92 114.28 103.30 2vhk n THR 161 Ca 0.19 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2vhk n THR 161 Cb 0.41 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 2vhk n THR 161 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2vhk n GLY 162 N 1.29 0.55 3.07 3.38 0.00 -0.20 -4.98 105.19 108.30 2vhk n GLY 162 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 2vhk n GLY 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vhk s LYS 163 N -0.16 1.75 0.15 1.61 -0.14 -1.26 -5.08 119.74 116.61 2vhk s LYS 163 Ca 0.00 -1.80 -0.09 0.00 -1.36 0.00 0.00 55.97 52.71 2vhk s LYS 163 Cb 0.00 -3.33 -0.00 0.00 -1.68 0.00 0.00 37.83 32.82 2vhk s LYS 163 CO 0.00 -0.95 0.27 0.00 -0.76 0.00 0.00 175.35 173.91 2vhk s GLY 165 N -2.94 2.77 0.84 0.00 0.00 -1.26 -4.88 107.32 101.85 2vhk s GLY 165 Ca 0.14 -0.68 -0.11 0.00 0.00 0.00 0.00 44.72 44.07 2vhk s GLY 165 CO -0.03 -2.10 1.13 2.56 0.00 0.00 0.00 173.10 174.67 2vhk s PRO 166 N -4.06 1.61 0.24 2.90 0.04 -1.26 -4.97 135.00 129.50 2vhk s PRO 166 Ca 0.17 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.64 2vhk s PRO 166 Cb -0.00 -1.80 -0.05 0.00 0.04 0.00 0.00 34.50 32.69 2vhk s PRO 166 CO 0.10 -2.17 0.11 0.95 0.04 0.00 0.00 177.00 176.03 2vhk s THR 167 N -2.67 0.33 0.25 1.26 -4.23 -1.26 -5.00 115.64 104.32 2vhk s THR 167 Ca 0.65 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.13 2vhk s THR 167 Cb -0.21 -2.58 0.23 0.00 1.34 0.00 0.00 72.50 71.28 2vhk s THR 167 CO 0.56 0.00 1.82 -0.08 -0.54 0.00 0.00 174.62 176.37 2vhk h GLU 168 N 2.47 0.83 -0.15 3.99 4.81 -1.99 -0.20 114.58 124.34 2vhk h GLU 168 Ca -0.37 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 58.75 2vhk h GLU 168 Cb 1.25 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 2vhk h GLU 168 CO 0.57 0.55 -0.12 1.88 -0.73 0.00 0.00 179.01 181.16 2vhk h TYR 169 N 0.85 0.41 -0.71 0.92 0.05 -2.00 -2.69 116.97 113.80 2vhk h TYR 169 Ca 0.42 -0.12 -0.01 0.00 0.05 0.00 0.00 58.73 59.08 2vhk h TYR 169 Cb 0.38 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 38.00 2vhk h TYR 169 CO -0.05 0.71 0.41 0.66 -1.05 0.00 0.00 178.16 178.84 2vhk h SER 170 N -0.02 0.87 0.52 3.88 4.64 -1.73 -2.15 113.55 119.56 2vhk h SER 170 Ca 0.03 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.24 2vhk h SER 170 Cb 0.63 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 2vhk h SER 170 CO 0.03 0.69 -0.23 0.03 -0.87 0.00 0.00 176.83 176.47 2vhk h ARG 171 N 0.99 0.00 0.16 4.77 3.08 -0.96 -0.65 114.38 121.77 2vhk h ARG 171 Ca 0.25 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 2vhk h ARG 171 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2vhk h ARG 171 CO -0.04 0.23 -0.08 0.35 -1.07 0.00 0.00 179.97 179.36 2vhk h PHE 172 N 0.00 -0.20 -0.93 3.04 3.57 -1.04 0.58 116.94 121.96 2vhk h PHE 172 Ca -0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2vhk h PHE 172 Cb 0.56 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.32 2vhk h PHE 172 CO 0.00 -0.10 0.56 0.74 -2.23 0.00 0.00 178.31 177.28 2vhk h PHE 173 N -0.25 1.23 -0.19 0.41 0.04 -1.29 -1.88 116.94 115.02 2vhk h PHE 173 Ca -0.02 -0.01 -0.14 0.00 2.80 0.00 0.00 57.97 60.60 2vhk h PHE 173 Cb 0.20 -0.40 -0.01 0.00 2.20 0.00 0.00 35.95 37.93 2vhk h PHE 173 CO -0.06 0.82 -0.48 -0.22 -0.60 0.00 0.00 178.31 177.77 2vhk h LYS 174 N 1.29 0.49 -0.26 1.51 1.63 -0.97 0.11 116.57 120.37 2vhk h LYS 174 Ca 0.33 -0.28 -0.03 0.00 -0.85 0.00 0.00 60.65 59.83 2vhk h LYS 174 Cb -0.05 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 2vhk h LYS 174 CO -0.06 0.86 0.06 -0.09 -3.45 0.00 0.00 179.45 176.77 2vhk h ARG 175 N 0.39 0.43 -0.24 1.90 2.43 -0.56 -2.10 114.38 116.63 2vhk h ARG 175 Ca 0.02 -0.11 -0.16 0.00 -0.81 0.00 0.00 59.98 58.92 2vhk h ARG 175 Cb 0.99 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 2vhk h ARG 175 CO 0.09 0.53 -0.50 -0.07 -1.51 0.00 0.00 179.97 178.50 2vhk h LEU 176 N 0.25 0.75 -6.62 3.80 -0.00 -1.23 -3.39 115.31 108.87 2vhk h LEU 176 Ca 0.08 -0.38 -0.60 0.00 -0.00 0.00 0.00 57.88 56.99 2vhk h LEU 176 Cb 0.30 -0.21 -0.39 0.00 -0.00 0.00 0.00 40.66 40.36 2vhk h LEU 176 CO 0.00 1.12 -0.85 0.00 -0.00 0.00 0.00 178.44 178.71 2vhk h PRO 178 N 6.15 0.00 -0.66 0.00 0.11 -1.59 -2.88 132.00 133.13 2vhk h PRO 178 Ca 0.15 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.22 2vhk h PRO 178 Cb 0.91 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.99 2vhk h PRO 178 CO 0.41 0.00 0.06 -0.25 -0.21 0.00 0.00 178.00 178.01 2vhk n ASP 179 N -4.00 5.11 -4.28 -2.05 8.00 -1.26 -4.86 116.55 113.20 2vhk n ASP 179 Ca -0.03 -2.90 -0.23 0.00 0.71 0.00 0.00 54.79 52.34 2vhk n ASP 179 Cb 0.09 -0.68 -0.12 0.00 -0.02 0.00 0.00 41.12 40.38 2vhk n ASP 179 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2vhk s ALA 180 N -2.62 1.79 0.20 2.24 0.00 -1.09 -4.53 121.76 117.75 2vhk s ALA 180 Ca 0.49 -1.26 -0.31 0.00 0.00 0.00 0.00 51.96 50.88 2vhk s ALA 180 Cb 0.38 -0.23 -0.11 0.00 0.00 0.00 0.00 23.12 23.16 2vhk s ALA 180 CO 0.14 0.34 1.58 -0.06 0.00 0.00 0.00 175.76 177.76 2vhk s PHE 181 N -1.25 2.99 -0.18 0.00 0.40 -0.43 -4.82 117.98 114.69 2vhk s PHE 181 Ca 0.07 0.65 0.14 0.00 -0.60 0.00 0.00 56.93 57.19 2vhk s PHE 181 Cb -0.10 -3.97 -0.19 0.00 0.51 0.00 0.00 43.02 39.27 2vhk s PHE 181 CO 0.04 -3.49 0.37 -1.13 0.70 0.00 0.00 175.22 171.71 2vhk n SER 182 N 3.52 1.54 -3.86 1.36 3.41 -1.26 -0.52 113.62 117.82 2vhk n SER 182 Ca 0.12 -0.22 -0.07 0.00 -0.26 0.00 0.00 58.87 58.45 2vhk n SER 182 Cb 0.38 1.46 -0.02 0.00 -0.26 0.00 0.00 64.21 65.77 2vhk n SER 182 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2vhk s TYR 183 N -2.76 -0.19 0.23 7.33 1.13 -1.26 -4.64 117.35 117.19 2vhk s TYR 183 Ca -0.02 -0.27 -0.07 0.00 -1.41 0.00 0.00 57.07 55.29 2vhk s TYR 183 Cb 0.09 0.71 0.21 0.00 -1.10 0.00 0.00 41.96 41.87 2vhk s TYR 183 CO 0.56 -1.24 1.88 0.28 -2.51 0.00 0.00 175.55 174.52 2vhk h VAL 184 N 2.00 1.25 -0.69 -3.49 2.07 -1.93 -2.28 116.25 113.18 2vhk h VAL 184 Ca -0.19 -0.55 -0.14 0.00 0.82 0.00 0.00 66.70 66.64 2vhk h VAL 184 Cb 1.25 -0.01 -0.08 0.00 -1.52 0.00 0.00 31.29 30.93 2vhk h VAL 184 CO 0.23 0.26 0.18 0.18 0.02 0.00 0.00 177.57 178.44 2vhk n LEU 185 N -4.39 6.03 -4.72 2.57 4.77 -1.26 -4.99 117.00 115.02 2vhk n LEU 185 Ca 0.10 -3.11 -0.36 0.00 -0.03 0.00 0.00 56.01 52.60 2vhk n LEU 185 Cb 0.06 -0.73 0.08 0.00 -2.33 0.00 0.00 43.42 40.50 2vhk n LEU 185 CO 0.38 0.74 0.87 -0.67 -1.33 0.00 0.00 177.39 177.38 2vhk n ASP 186 N 0.14 1.83 -4.68 -1.43 -0.08 -0.86 -4.88 116.55 106.60 2vhk n ASP 186 Ca 0.37 0.77 -0.47 0.00 -1.51 0.00 0.00 54.79 53.94 2vhk n ASP 186 Cb 1.33 -1.55 -0.04 0.00 2.34 0.00 0.00 41.12 43.20 2vhk n ASP 186 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2vhk n LYS 187 N -2.24 2.23 -1.80 -0.67 4.81 -1.26 -4.85 118.16 114.38 2vhk n LYS 187 Ca 0.15 0.81 -0.39 0.00 -0.87 0.00 0.00 58.31 58.02 2vhk n LYS 187 Cb 0.49 -2.65 0.03 0.00 0.02 0.00 0.00 35.03 32.91 2vhk n LYS 187 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 2vhk s PRO 188 N 3.28 3.44 -0.21 1.64 0.02 -1.26 -4.92 135.00 137.00 2vhk s PRO 188 Ca 0.89 2.32 0.12 0.00 0.02 0.00 0.00 61.00 64.34 2vhk s PRO 188 Cb -0.67 -2.47 0.41 0.00 0.02 0.00 0.00 34.50 31.80 2vhk s PRO 188 CO 0.47 -0.98 1.23 0.25 -0.33 0.00 0.00 177.00 177.64 2vhk n THR 189 N -0.58 2.20 -2.58 0.99 -2.24 -1.26 -5.04 114.28 105.77 2vhk n THR 189 Ca 0.07 -3.14 -0.41 0.00 -2.27 0.00 0.00 64.05 58.31 2vhk n THR 189 Cb 0.43 -0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 68.38 2vhk n THR 189 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2vhk s THR 190 N -3.21 3.96 -0.14 4.28 2.01 -1.26 -4.76 115.64 116.52 2vhk s THR 190 Ca 0.38 1.75 -0.05 0.00 0.31 0.00 0.00 61.69 64.08 2vhk s THR 190 Cb 0.36 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 2vhk s THR 190 CO -0.06 0.33 0.04 -0.69 -0.69 0.00 0.00 174.62 173.55 2vhk s VAL 191 N -0.47 4.64 -0.20 3.82 1.01 0.23 -4.93 120.40 124.49 2vhk s VAL 191 Ca 0.47 -0.11 -0.19 0.00 0.00 0.00 0.00 61.98 62.15 2vhk s VAL 191 Cb -0.28 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 2vhk s VAL 191 CO 0.34 0.53 0.57 -0.89 0.00 0.00 0.00 175.10 175.65 2vhk s THR 192 N -0.23 5.07 0.24 3.92 2.01 -1.26 -1.37 115.64 124.02 2vhk s THR 192 Ca 0.07 1.05 0.10 0.00 0.31 0.00 0.00 61.69 63.22 2vhk s THR 192 Cb -0.12 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 2vhk s THR 192 CO 0.02 0.15 -0.07 0.00 -0.69 0.00 0.00 174.62 174.03 2vhk n PRO 194 N -0.56 1.23 -1.70 0.00 -0.02 -1.26 -0.83 135.00 131.84 2vhk n PRO 194 Ca -0.07 0.45 -0.41 0.00 -2.02 0.00 0.00 63.50 61.44 2vhk n PRO 194 Cb 0.58 -2.15 0.01 0.00 -0.02 0.00 0.00 33.50 31.92 2vhk n PRO 194 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vhk n GLY 195 N 1.18 0.59 2.33 -1.23 0.00 -0.95 -2.41 105.19 104.70 2vhk n GLY 195 Ca 0.11 0.23 -0.14 0.00 0.00 0.00 0.00 46.02 46.22 2vhk n GLY 195 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2vhk n SER 196 N 0.36 -4.30 -4.73 1.61 7.64 -1.26 -4.91 113.62 108.04 2vhk n SER 196 Ca 0.06 -0.05 -0.30 0.00 1.01 0.00 0.00 58.87 59.59 2vhk n SER 196 Cb 0.39 -3.41 0.13 0.00 -1.01 0.00 0.00 64.21 60.30 2vhk n SER 196 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2vhk s SER 197 N -2.47 3.70 0.32 6.43 0.01 -1.01 -4.98 113.70 115.68 2vhk s SER 197 Ca 0.04 1.60 0.09 0.00 1.31 0.00 0.00 55.95 59.00 2vhk s SER 197 Cb -0.02 -2.28 -0.05 0.00 0.21 0.00 0.00 66.02 63.88 2vhk s SER 197 CO 0.05 -2.51 0.00 0.20 0.41 0.00 0.00 173.24 171.39 2vhk s ASN 198 N -3.38 4.27 0.14 2.44 0.01 -1.26 -4.65 114.94 112.52 2vhk s ASN 198 Ca 0.63 -0.89 -0.04 0.00 -0.71 0.00 0.00 52.86 51.85 2vhk s ASN 198 Cb -0.18 -0.61 -0.03 0.00 0.41 0.00 0.00 41.25 40.85 2vhk s ASN 198 CO 0.57 -0.16 0.15 -0.31 -1.51 0.00 0.00 177.10 175.84 2vhk s TYR 199 N -2.46 0.66 -0.04 2.20 2.02 -0.37 -0.43 117.35 118.92 2vhk s TYR 199 Ca 0.34 -1.03 0.01 0.00 -0.37 0.00 0.00 57.07 56.02 2vhk s TYR 199 Cb -0.02 -0.30 0.02 0.00 -0.40 0.00 0.00 41.96 41.26 2vhk s TYR 199 CO 0.19 -0.60 -0.06 0.50 -1.57 0.00 0.00 175.55 174.01 2vhk s ARG 200 N -4.01 0.95 -0.25 -0.62 3.52 0.40 -1.11 118.95 117.83 2vhk s ARG 200 Ca 0.21 -0.18 -0.06 0.00 -0.13 0.00 0.00 55.73 55.57 2vhk s ARG 200 Cb 0.06 -0.90 -0.01 0.00 -1.56 0.00 0.00 34.95 32.53 2vhk s ARG 200 CO 0.01 -0.03 0.02 0.08 -0.81 0.00 0.00 175.30 174.57 2vhk s VAL 201 N 0.74 3.83 -0.21 7.11 1.01 -0.02 -1.44 120.40 131.42 2vhk s VAL 201 Ca -0.11 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 2vhk s VAL 201 Cb -0.14 -2.82 -0.00 0.00 0.00 0.00 0.00 36.38 33.43 2vhk s VAL 201 CO 0.01 0.31 -0.08 -0.89 0.00 0.00 0.00 175.10 174.45 2vhk s THR 202 N 1.53 3.05 0.17 3.92 2.01 0.22 -0.49 115.64 126.05 2vhk s THR 202 Ca 0.05 -0.61 -0.27 0.00 0.31 0.00 0.00 61.69 61.17 2vhk s THR 202 Cb -0.15 -2.37 -0.08 0.00 0.01 0.00 0.00 72.50 69.91 2vhk s THR 202 CO 0.00 0.45 0.85 -0.36 -0.69 0.00 0.00 174.62 174.87 2vhk s PHE 203 N 1.43 3.91 -1.15 4.92 0.08 0.23 -0.82 117.98 126.58 2vhk s PHE 203 Ca 0.06 1.72 -0.09 0.00 0.12 0.00 0.00 56.93 58.74 2vhk s PHE 203 Cb -0.14 -2.87 -0.03 0.00 -0.57 0.00 0.00 43.02 39.41 2vhk s PHE 203 CO -0.06 0.44 0.83 0.00 -0.10 0.00 0.00 175.22 176.34 2vhk h PRO 205 N -1.60 0.00 -0.00 0.00 0.13 -1.80 -3.40 132.00 125.33 2vhk h PRO 205 Ca -0.63 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 2vhk h PRO 205 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2vhk h PRO 205 CO 0.49 0.08 0.00 0.25 -0.23 0.00 0.00 178.00 178.59