#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rov n ARG 2 N 0.00 0.69 -1.41 1.43 0.00 -1.26 -5.10 116.66 111.02 2rov n ARG 2 Ca 0.00 -1.85 -0.54 0.00 -0.00 0.00 0.00 57.85 55.46 2rov n ARG 2 Cb 0.00 2.03 -0.08 0.00 -0.00 0.00 0.00 32.46 34.41 2rov n ARG 2 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2rov n LEU 3 N 0.00 1.75 -3.59 2.89 7.94 -1.26 -4.84 117.00 119.89 2rov n LEU 3 Ca -0.03 0.54 -0.11 0.00 -1.11 0.00 0.00 56.01 55.29 2rov n LEU 3 Cb 0.44 -1.15 -0.04 0.00 0.53 0.00 0.00 43.42 43.20 2rov n LEU 3 CO 0.21 -0.72 0.22 -1.83 -1.11 0.00 0.00 177.39 174.16 2rov s GLU 4 N 5.94 1.08 0.00 1.96 -1.05 -1.26 0.43 118.70 125.81 2rov s GLU 4 Ca 1.12 -0.57 0.00 0.00 -0.15 0.00 0.00 54.97 55.37 2rov s GLU 4 Cb -1.06 0.48 0.00 0.00 -0.44 0.00 0.00 34.13 33.11 2rov s GLU 4 CO 0.55 -0.42 0.00 0.41 0.95 0.00 0.00 175.26 176.75 2rov n GLY 5 N -0.09 -0.03 3.14 -3.83 0.00 -0.34 -4.99 105.19 99.05 2rov n GLY 5 Ca -0.17 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.44 2rov n GLY 5 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2rov s TRP 6 N -3.95 2.55 0.16 1.61 0.52 -1.26 -0.63 118.94 117.93 2rov s TRP 6 Ca 0.00 -1.30 0.11 0.00 0.02 0.00 0.00 56.10 54.93 2rov s TRP 6 Cb 0.00 -1.75 -0.04 0.00 -1.15 0.00 0.00 33.47 30.53 2rov s TRP 6 CO 0.00 -0.61 -0.25 -0.51 0.02 0.00 0.00 176.95 175.61 2rov s LEU 7 N 0.90 2.38 -0.05 2.99 1.43 -0.56 -4.80 118.68 120.96 2rov s LEU 7 Ca -0.06 -0.80 -0.17 0.00 -1.03 0.00 0.00 54.13 52.07 2rov s LEU 7 Cb -0.15 -1.15 -0.05 0.00 0.03 0.00 0.00 46.19 44.87 2rov s LEU 7 CO -0.03 0.13 0.45 -0.55 0.23 0.00 0.00 176.35 176.59 2rov s SER 8 N -2.36 6.77 0.07 2.29 0.15 -1.03 -0.14 113.70 119.46 2rov s SER 8 Ca 0.16 0.92 0.08 0.00 0.70 0.00 0.00 55.95 57.82 2rov s SER 8 Cb -0.09 -2.28 -0.03 0.00 -1.71 0.00 0.00 66.02 61.91 2rov s SER 8 CO 0.08 0.17 -0.22 -0.76 1.20 0.00 0.00 173.24 173.70 2rov s LEU 9 N -0.28 2.23 -0.25 3.45 1.02 -0.87 -1.89 118.68 122.09 2rov s LEU 9 Ca 0.25 -0.62 -0.28 0.00 0.02 0.00 0.00 54.13 53.51 2rov s LEU 9 Cb -0.16 -1.03 -0.05 0.00 0.02 0.00 0.00 46.19 44.97 2rov s LEU 9 CO 0.12 0.15 2.25 -0.81 0.02 0.00 0.00 176.35 178.08 2rov n PRO 10 N 1.46 1.86 -4.66 1.29 -0.04 -1.25 -2.30 135.00 131.37 2rov n PRO 10 Ca -0.18 0.48 -0.33 0.00 -0.04 0.00 0.00 63.50 63.43 2rov n PRO 10 Cb 0.53 -3.25 -0.12 0.00 -0.04 0.00 0.00 33.50 30.62 2rov n PRO 10 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2rov s VAL 11 N 8.72 3.38 -1.10 0.52 -7.23 -1.24 -4.80 120.40 118.65 2rov s VAL 11 Ca 1.01 -0.74 -0.18 0.00 -1.81 0.00 0.00 61.98 60.26 2rov s VAL 11 Cb -0.33 -2.40 0.11 0.00 0.56 0.00 0.00 36.38 34.33 2rov s VAL 11 CO 0.34 0.50 1.40 -0.13 -0.31 0.00 0.00 175.10 176.90 2rov s ARG 12 N -1.06 3.82 0.26 4.82 0.52 -1.25 -0.19 118.95 125.86 2rov s ARG 12 Ca 0.14 -1.92 0.11 0.00 -0.52 0.00 0.00 55.73 53.54 2rov s ARG 12 Cb -0.11 -5.17 0.28 0.00 0.52 0.00 0.00 34.95 30.47 2rov s ARG 12 CO 0.04 -1.95 1.56 -0.91 0.02 0.00 0.00 175.30 174.05 2rov h ASN 13 N 8.29 0.00 0.00 0.23 2.35 -1.97 -3.39 115.58 121.09 2rov h ASN 13 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 2rov h ASN 13 Cb 0.95 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.32 2rov h ASN 13 CO 1.28 0.65 -0.22 0.59 -1.65 0.00 0.00 177.43 178.08 2rov n ASN 14 N -3.66 0.44 0.00 5.81 3.02 -1.26 -5.08 115.26 114.53 2rov n ASN 14 Ca -0.01 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 2rov n ASN 14 Cb 0.67 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 2rov n ASN 14 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 2rov n THR 15 N -2.94 0.00 -0.05 3.41 5.66 -1.26 -4.98 114.28 114.12 2rov n THR 15 Ca -0.03 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.91 2rov n THR 15 Cb 0.11 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.81 2rov n THR 15 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2rov n LYS 16 N -2.09 2.07 -1.20 1.09 5.02 -1.26 -4.94 118.16 116.85 2rov n LYS 16 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 2rov n LYS 16 Cb 0.00 -1.27 0.12 0.00 -0.02 0.00 0.00 35.03 33.86 2rov n LYS 16 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2rov s LYS 17 N -2.25 1.63 -0.20 1.97 2.47 -1.26 -5.00 119.74 117.09 2rov s LYS 17 Ca -0.07 0.99 -0.05 0.00 -1.56 0.00 0.00 55.97 55.29 2rov s LYS 17 Cb 0.03 -1.84 0.07 0.00 -1.46 0.00 0.00 37.83 34.63 2rov s LYS 17 CO 0.41 -2.03 0.10 -0.59 0.16 0.00 0.00 175.35 173.40 2rov s PHE 18 N -2.90 0.28 0.00 4.03 -0.12 -1.25 -3.90 117.98 114.11 2rov s PHE 18 Ca 0.63 -0.48 0.00 0.00 -0.05 0.00 0.00 56.93 57.03 2rov s PHE 18 Cb -0.18 -0.77 0.00 0.00 -0.63 0.00 0.00 43.02 41.45 2rov s PHE 18 CO 0.57 -0.59 0.00 0.41 -0.05 0.00 0.00 175.22 175.56 2rov n GLY 19 N 5.26 0.67 3.21 1.99 0.00 0.74 -4.58 105.19 112.48 2rov n GLY 19 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 2rov n GLY 19 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2rov s TRP 20 N 1.37 -0.01 -0.24 1.61 0.52 -1.25 -3.66 118.94 117.27 2rov s TRP 20 Ca 0.00 -0.17 -0.08 0.00 0.02 0.00 0.00 56.10 55.87 2rov s TRP 20 Cb 0.00 0.02 0.11 0.00 -1.15 0.00 0.00 33.47 32.45 2rov s TRP 20 CO 0.00 -0.46 0.51 0.54 0.02 0.00 0.00 176.95 177.56 2rov s VAL 21 N -2.54 -0.79 -0.38 4.03 0.11 -0.97 -4.77 120.40 115.10 2rov s VAL 21 Ca -0.05 0.10 -0.29 0.00 -2.93 0.00 0.00 61.98 58.81 2rov s VAL 21 Cb -0.01 -0.80 -0.00 0.00 -1.53 0.00 0.00 36.38 34.03 2rov s VAL 21 CO -0.04 0.04 1.61 -0.54 -3.33 0.00 0.00 175.10 172.85 2rov s LYS 22 N 2.72 3.44 0.03 1.54 1.02 -1.25 -2.06 119.74 125.18 2rov s LYS 22 Ca -0.03 1.17 0.04 0.00 0.02 0.00 0.00 55.97 57.17 2rov s LYS 22 Cb -0.12 -4.12 -0.04 0.00 -0.52 0.00 0.00 37.83 33.04 2rov s LYS 22 CO -0.15 -1.74 -0.06 0.15 -0.92 0.00 0.00 175.35 172.63 2rov s LYS 23 N 5.34 2.51 -0.64 1.68 -0.14 0.80 -4.80 119.74 124.49 2rov s LYS 23 Ca 0.71 -0.77 -0.27 0.00 -1.36 0.00 0.00 55.97 54.27 2rov s LYS 23 Cb -0.18 -2.49 0.00 0.00 -1.68 0.00 0.00 37.83 33.48 2rov s LYS 23 CO 0.33 0.58 1.57 -0.47 -0.76 0.00 0.00 175.35 176.60 2rov s TYR 24 N -1.07 2.00 -0.17 3.18 6.14 0.48 -1.49 117.35 126.41 2rov s TYR 24 Ca 0.19 0.43 -0.08 0.00 0.64 0.00 0.00 57.07 58.25 2rov s TYR 24 Cb -0.11 -4.34 -0.04 0.00 0.42 0.00 0.00 41.96 37.89 2rov s TYR 24 CO 0.10 -2.18 0.10 0.08 0.64 0.00 0.00 175.55 174.28 2rov s VAL 25 N 7.30 5.12 -0.11 3.14 1.01 0.20 0.45 120.40 137.50 2rov s VAL 25 Ca 0.53 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.56 2rov s VAL 25 Cb -0.11 -3.29 0.05 0.00 0.00 0.00 0.00 36.38 33.03 2rov s VAL 25 CO 0.20 0.50 0.06 -0.63 0.00 0.00 0.00 175.10 175.23 2rov s ILE 26 N -0.04 0.02 -0.57 2.22 1.01 -0.44 -1.20 121.20 122.20 2rov s ILE 26 Ca 0.08 0.05 -0.23 0.00 0.00 0.00 0.00 60.65 60.55 2rov s ILE 26 Cb -0.12 -0.46 0.05 0.00 0.01 0.00 0.00 42.46 41.94 2rov s ILE 26 CO 0.00 -0.05 0.90 -0.69 0.00 0.00 0.00 174.94 175.11 2rov s VAL 27 N 2.10 4.45 0.66 2.92 1.01 0.17 -0.29 120.40 131.42 2rov s VAL 27 Ca 0.03 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.92 2rov s VAL 27 Cb -0.14 -4.54 -0.00 0.00 0.00 0.00 0.00 36.38 31.70 2rov s VAL 27 CO -0.06 -1.15 1.05 -0.55 0.00 0.00 0.00 175.10 174.39 2rov s SER 28 N 3.01 5.71 -0.40 3.32 0.15 0.32 -4.02 113.70 121.79 2rov s SER 28 Ca 0.26 1.16 -0.34 0.00 0.70 0.00 0.00 55.95 57.73 2rov s SER 28 Cb -0.15 -2.07 -0.12 0.00 -1.71 0.00 0.00 66.02 61.98 2rov s SER 28 CO 0.16 -1.15 2.24 -0.24 1.20 0.00 0.00 173.24 175.45 2rov n SER 29 N -2.87 2.02 -1.85 5.45 2.88 -1.26 0.31 113.62 118.30 2rov n SER 29 Ca 0.06 0.32 -0.17 0.00 -1.33 0.00 0.00 58.87 57.75 2rov n SER 29 Cb 0.56 -1.27 -0.02 0.00 -0.75 0.00 0.00 64.21 62.74 2rov n SER 29 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2rov n LYS 30 N 8.29 -1.34 -3.51 -1.46 4.76 -1.26 -4.97 118.16 118.66 2rov n LYS 30 Ca 0.43 0.87 -0.15 0.00 -2.87 0.00 0.00 58.31 56.59 2rov n LYS 30 Cb 0.24 -5.29 -0.05 0.00 -1.84 0.00 0.00 35.03 28.10 2rov n LYS 30 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2rov s LYS 31 N -4.63 1.11 -0.11 1.97 2.47 0.15 -4.06 119.74 116.63 2rov s LYS 31 Ca 0.00 -0.09 0.02 0.00 -1.56 0.00 0.00 55.97 54.34 2rov s LYS 31 Cb 0.00 0.51 0.01 0.00 -1.46 0.00 0.00 37.83 36.90 2rov s LYS 31 CO 0.00 -0.40 -0.17 0.42 0.16 0.00 0.00 175.35 175.36 2rov s ILE 32 N -2.26 1.60 0.11 5.43 1.01 0.28 0.12 121.20 127.50 2rov s ILE 32 Ca -0.06 -0.71 0.08 0.00 0.00 0.00 0.00 60.65 59.96 2rov s ILE 32 Cb -0.01 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 2rov s ILE 32 CO 0.00 0.46 -0.15 -0.76 0.00 0.00 0.00 174.94 174.49 2rov s LEU 33 N 0.92 2.83 -0.04 2.97 1.43 0.60 -0.07 118.68 127.33 2rov s LEU 33 Ca -0.08 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.55 2rov s LEU 33 Cb -0.15 -1.66 0.02 0.00 0.03 0.00 0.00 46.19 44.43 2rov s LEU 33 CO -0.01 0.18 -0.05 -0.36 0.23 0.00 0.00 176.35 176.34 2rov s PHE 34 N -1.17 0.75 0.20 0.29 0.08 0.31 -1.33 117.98 117.11 2rov s PHE 34 Ca 0.19 -0.20 0.00 0.00 0.12 0.00 0.00 56.93 57.04 2rov s PHE 34 Cb -0.11 -0.64 -0.05 0.00 -0.57 0.00 0.00 43.02 41.65 2rov s PHE 34 CO 0.11 -0.17 0.07 0.71 -0.10 0.00 0.00 175.22 175.85 2rov s TYR 35 N 0.78 1.24 -0.03 0.36 2.02 0.17 0.13 117.35 122.02 2rov s TYR 35 Ca -0.11 -1.19 0.13 0.00 -0.37 0.00 0.00 57.07 55.53 2rov s TYR 35 Cb -0.13 -0.69 -0.19 0.00 -0.40 0.00 0.00 41.96 40.54 2rov s TYR 35 CO 0.00 -0.41 0.24 -0.25 -1.57 0.00 0.00 175.55 173.57 2rov n ASP 36 N -0.29 2.04 -3.64 2.29 9.92 -1.26 -0.39 116.55 125.21 2rov n ASP 36 Ca -0.02 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.20 2rov n ASP 36 Cb 0.65 1.46 -0.01 0.00 -0.64 0.00 0.00 41.12 42.59 2rov n ASP 36 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2rov s SER 37 N -3.66 -0.13 0.22 -2.24 0.01 -1.26 -4.52 113.70 102.12 2rov s SER 37 Ca -0.05 -0.48 -0.02 0.00 1.31 0.00 0.00 55.95 56.71 2rov s SER 37 Cb 0.08 0.50 0.20 0.00 0.21 0.00 0.00 66.02 67.01 2rov s SER 37 CO 0.53 -0.93 1.60 -0.33 0.41 0.00 0.00 173.24 174.51 2rov h GLU 38 N 2.00 0.61 -0.58 12.44 3.07 -1.99 -2.49 114.58 127.65 2rov h GLU 38 Ca -0.25 -0.30 0.02 0.00 -0.50 0.00 0.00 59.36 58.33 2rov h GLU 38 Cb 1.23 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.10 2rov h GLU 38 CO 0.28 0.89 0.38 1.96 -1.40 0.00 0.00 179.01 181.12 2rov h GLN 39 N 0.51 0.69 0.03 2.33 4.20 -1.99 0.14 115.11 121.03 2rov h GLN 39 Ca 0.05 -0.04 -0.22 0.00 0.06 0.00 0.00 58.65 58.50 2rov h GLN 39 Cb 0.87 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.48 2rov h GLN 39 CO 0.08 0.46 -1.01 -0.44 -0.67 0.00 0.00 178.83 177.25 2rov h ASP 40 N 0.71 0.16 -0.04 1.46 3.32 -1.85 -2.99 116.42 117.19 2rov h ASP 40 Ca 0.23 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 2rov h ASP 40 Cb 0.02 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 2rov h ASP 40 CO -0.06 1.06 -0.04 0.50 -1.72 0.00 0.00 179.24 178.98 2rov h LYS 41 N 0.04 0.10 0.00 3.56 3.11 -0.87 0.40 116.57 122.91 2rov h LYS 41 Ca -0.05 -0.05 -0.02 0.00 -2.81 0.00 0.00 60.65 57.72 2rov h LYS 41 Cb 1.71 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.94 2rov h LYS 41 CO 0.15 0.57 -0.10 1.05 -2.81 0.00 0.00 179.45 178.30 2rov h GLU 42 N -0.36 0.00 -0.39 1.90 4.11 -1.11 -0.88 114.58 117.84 2rov h GLU 42 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 2rov h GLU 42 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2rov h GLU 42 CO 0.01 0.10 0.00 1.04 0.07 0.00 0.00 179.01 180.23 2rov n GLN 43 N -3.94 1.91 -3.65 1.06 1.13 -1.13 -4.91 117.38 107.85 2rov n GLN 43 Ca -0.02 -1.33 -0.23 0.00 -1.94 0.00 0.00 57.00 53.47 2rov n GLN 43 Cb 0.20 -1.32 0.06 0.00 0.11 0.00 0.00 30.24 29.29 2rov n GLN 43 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2rov n SER 44 N 0.56 -4.08 -3.88 1.08 2.88 -0.34 -4.95 113.62 104.88 2rov n SER 44 Ca 0.12 -0.66 -0.31 0.00 -1.33 0.00 0.00 58.87 56.69 2rov n SER 44 Cb 0.33 -4.62 -0.09 0.00 -0.75 0.00 0.00 64.21 59.08 2rov n SER 44 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2rov n ASN 45 N -3.01 3.78 -4.61 -3.46 2.85 0.14 -5.03 115.26 105.92 2rov n ASN 45 Ca -0.11 -3.25 -0.43 0.00 -0.11 0.00 0.00 54.58 50.69 2rov n ASN 45 Cb 0.60 -0.87 -0.02 0.00 1.24 0.00 0.00 39.78 40.72 2rov n ASN 45 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2rov s PRO 46 N -1.73 3.66 0.42 1.20 0.04 -1.26 -4.54 135.00 132.79 2rov s PRO 46 Ca 0.29 1.22 0.11 0.00 0.04 0.00 0.00 61.00 62.66 2rov s PRO 46 Cb -0.01 -4.02 0.95 0.00 0.04 0.00 0.00 34.50 31.46 2rov s PRO 46 CO -0.11 -1.45 2.01 -0.92 0.04 0.00 0.00 177.00 176.57 2rov h TYR 47 N 10.68 0.48 -2.71 0.56 3.20 -0.67 -3.44 116.97 125.08 2rov h TYR 47 Ca -0.29 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.55 2rov h TYR 47 Cb 1.12 -0.16 -0.15 0.00 1.54 0.00 0.00 36.73 39.08 2rov h TYR 47 CO 0.94 0.26 0.13 1.41 -1.64 0.00 0.00 178.16 179.26 2rov s MET 48 N -5.45 1.13 -0.17 1.82 1.75 -0.89 -5.00 119.30 112.51 2rov s MET 48 Ca -0.08 -0.23 -0.08 0.00 -1.25 0.00 0.00 55.69 54.05 2rov s MET 48 Cb 0.19 0.52 0.06 0.00 2.84 0.00 0.00 34.83 38.44 2rov s MET 48 CO 0.74 -0.43 0.39 0.54 -0.65 0.00 0.00 175.02 175.61 2rov s VAL 49 N -2.70 -0.14 0.19 10.11 0.11 -1.26 0.11 120.40 126.82 2rov s VAL 49 Ca -0.04 0.12 0.10 0.00 -2.93 0.00 0.00 61.98 59.23 2rov s VAL 49 Cb -0.00 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 2rov s VAL 49 CO -0.04 0.05 -0.22 -0.76 -3.33 0.00 0.00 175.10 170.81 2rov s LEU 50 N 1.62 2.44 -0.25 2.54 1.02 0.90 -4.97 118.68 121.98 2rov s LEU 50 Ca -0.08 -0.87 -0.14 0.00 0.02 0.00 0.00 54.13 53.06 2rov s LEU 50 Cb -0.09 -1.04 -0.04 0.00 0.02 0.00 0.00 46.19 45.04 2rov s LEU 50 CO -0.12 0.06 0.34 -1.81 0.02 0.00 0.00 176.35 174.84 2rov s ASP 51 N -2.70 6.26 0.28 2.29 1.01 -1.26 0.10 116.67 122.65 2rov s ASP 51 Ca 0.19 0.30 -0.01 0.00 0.71 0.00 0.00 52.55 53.74 2rov s ASP 51 Cb -0.07 -2.20 0.48 0.00 1.01 0.00 0.00 42.92 42.14 2rov s ASP 51 CO 0.09 -0.13 1.89 0.40 0.21 0.00 0.00 175.17 177.63 2rov h ILE 52 N 5.28 1.06 0.00 0.77 2.04 -1.85 -0.01 117.51 124.80 2rov h ILE 52 Ca -0.33 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 2rov h ILE 52 Cb 1.16 -0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 2rov h ILE 52 CO 0.65 0.20 -0.13 -0.78 0.00 0.00 0.00 178.15 178.09 2rov h ASP 53 N 1.10 0.00 1.33 1.72 3.58 -1.91 -2.06 116.42 120.17 2rov h ASP 53 Ca 0.42 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.80 2rov h ASP 53 Cb 0.21 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 2rov h ASP 53 CO -0.17 0.13 -0.36 0.11 -2.88 0.00 0.00 179.24 176.07 2rov h LYS 54 N 0.00 0.00 -6.60 0.28 1.57 -1.40 -3.46 116.57 106.96 2rov h LYS 54 Ca -0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 2rov h LYS 54 Cb 0.38 0.00 0.11 0.00 0.08 0.00 0.00 32.23 32.79 2rov h LYS 54 CO 0.02 0.36 0.33 1.28 -0.57 0.00 0.00 179.45 180.87 2rov n LEU 55 N -3.28 2.68 -0.11 2.94 4.77 -0.77 -2.92 117.00 120.30 2rov n LEU 55 Ca 0.01 1.19 -0.15 0.00 -0.03 0.00 0.00 56.01 57.04 2rov n LEU 55 Cb 0.61 -1.39 -0.14 0.00 -2.33 0.00 0.00 43.42 40.17 2rov n LEU 55 CO 0.37 -0.92 -1.26 0.49 -1.33 0.00 0.00 177.39 174.75 2rov n PHE 56 N 0.40 0.03 -3.65 -1.77 3.72 -0.11 -4.91 117.46 111.17 2rov n PHE 56 Ca 0.08 0.01 -0.01 0.00 -0.05 0.00 0.00 57.45 57.47 2rov n PHE 56 Cb 0.34 -1.00 -0.07 0.00 -0.94 0.00 0.00 39.48 37.81 2rov n PHE 56 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 2rov s HIS 57 N -2.51 -0.08 -0.20 1.38 3.76 -1.25 -5.03 115.29 111.37 2rov s HIS 57 Ca -0.24 0.17 -0.01 0.00 -0.15 0.00 0.00 55.06 54.83 2rov s HIS 57 Cb 0.08 0.31 0.01 0.00 1.11 0.00 0.00 32.58 34.09 2rov s HIS 57 CO 0.70 -0.04 -0.14 0.08 -0.85 0.00 0.00 174.74 174.49 2rov s VAL 58 N 0.44 2.53 0.04 -0.90 1.01 -1.26 -2.02 120.40 120.23 2rov s VAL 58 Ca 0.01 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 61.07 2rov s VAL 58 Cb -0.04 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.22 2rov s VAL 58 CO -0.13 0.46 0.19 -0.13 0.00 0.00 0.00 175.10 175.49 2rov s ARG 59 N 1.35 0.68 0.77 2.72 1.81 -0.73 -5.00 118.95 120.55 2rov s ARG 59 Ca 0.04 -0.63 -0.14 0.00 -1.72 0.00 0.00 55.73 53.29 2rov s ARG 59 Cb -0.14 0.28 0.06 0.00 -0.45 0.00 0.00 34.95 34.70 2rov s ARG 59 CO -0.09 -0.20 1.18 -1.25 -0.68 0.00 0.00 175.30 174.27 2rov s PRO 60 N -2.54 1.94 0.62 3.54 0.04 -1.26 -1.12 135.00 136.21 2rov s PRO 60 Ca -0.05 1.67 0.03 0.00 0.04 0.00 0.00 61.00 62.68 2rov s PRO 60 Cb -0.01 -1.82 0.08 0.00 0.04 0.00 0.00 34.50 32.79 2rov s PRO 60 CO -0.04 -1.97 0.86 0.14 0.04 0.00 0.00 177.00 176.03 2rov s VAL 61 N -2.19 2.35 0.29 -0.36 -7.23 -0.67 -4.69 120.40 107.90 2rov s VAL 61 Ca 0.72 -0.73 0.03 0.00 -1.81 0.00 0.00 61.98 60.18 2rov s VAL 61 Cb -0.27 -2.62 -0.01 0.00 0.56 0.00 0.00 36.38 34.04 2rov s VAL 61 CO 0.48 0.00 0.11 0.35 -0.31 0.00 0.00 175.10 175.74 2rov n THR 62 N -2.49 0.00 0.32 5.32 -2.24 -1.26 -4.71 114.28 109.22 2rov n THR 62 Ca 0.13 -1.74 0.20 0.00 -2.27 0.00 0.00 64.05 60.37 2rov n THR 62 Cb 0.60 0.64 1.10 0.00 -2.10 0.00 0.00 70.33 70.58 2rov n THR 62 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2rov h GLN 63 N 0.00 0.00 0.00 -0.78 5.75 -1.94 0.07 115.11 118.22 2rov h GLN 63 Ca -0.23 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.20 2rov h GLN 63 Cb 0.89 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.42 2rov h GLN 63 CO 0.36 0.00 -0.36 1.79 -2.65 0.00 0.00 178.83 177.97 2rov h THR 64 N 0.00 0.81 -0.48 2.39 1.35 -2.02 -3.11 112.91 111.85 2rov h THR 64 Ca 0.01 -1.51 -0.06 0.00 -0.55 0.00 0.00 66.41 64.29 2rov h THR 64 Cb 0.13 1.95 -0.02 0.00 -1.73 0.00 0.00 68.15 68.48 2rov h THR 64 CO -0.00 0.35 0.06 -0.78 -0.25 0.00 0.00 175.52 174.90 2rov h ASP 65 N 0.00 0.73 -4.99 5.36 1.82 -1.36 -3.44 116.42 114.53 2rov h ASP 65 Ca -0.00 -0.15 -0.13 0.00 -0.39 0.00 0.00 57.03 56.35 2rov h ASP 65 Cb 0.92 -0.19 -0.20 0.00 0.68 0.00 0.00 39.33 40.54 2rov h ASP 65 CO 0.05 0.76 -0.41 0.68 -1.61 0.00 0.00 179.24 178.70 2rov s VAL 66 N -5.08 0.08 -0.18 2.25 -7.23 -1.17 -5.06 120.40 104.00 2rov s VAL 66 Ca -0.09 -0.63 -0.08 0.00 -1.81 0.00 0.00 61.98 59.37 2rov s VAL 66 Cb 0.15 -0.52 -0.08 0.00 0.56 0.00 0.00 36.38 36.48 2rov s VAL 66 CO 0.80 -0.35 -0.22 0.00 -0.31 0.00 0.00 175.10 175.02 2rov n TYR 67 N 1.33 0.00 0.25 2.82 4.11 -1.26 -4.55 117.16 119.86 2rov n TYR 67 Ca -0.22 0.00 0.11 0.00 -0.00 0.00 0.00 57.90 57.79 2rov n TYR 67 Cb 0.56 -0.66 0.66 0.00 -0.00 0.00 0.00 39.34 39.90 2rov n TYR 67 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.86 176.93 2rov h ARG 68 N -0.56 0.00 0.00 -3.48 -0.00 -1.97 -3.44 114.38 104.92 2rov h ARG 68 Ca -0.45 0.00 -0.09 0.00 -0.00 0.00 0.00 59.98 59.44 2rov h ARG 68 Cb 1.43 0.00 0.05 0.00 -0.00 0.00 0.00 29.97 31.46 2rov h ARG 68 CO -0.25 0.15 -0.04 0.00 -0.00 0.00 0.00 179.97 179.83 2rov n ALA 69 N -2.29 -1.30 -2.52 0.08 0.00 -1.26 -5.02 120.51 108.20 2rov n ALA 69 Ca -0.02 -0.38 -0.31 0.00 0.00 0.00 0.00 53.44 52.74 2rov n ALA 69 Cb 0.28 -0.03 -0.16 0.00 0.00 0.00 0.00 19.45 19.53 2rov n ALA 69 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2rov s ASP 70 N -2.01 2.97 0.57 0.00 -1.08 -1.26 -5.00 116.67 110.85 2rov s ASP 70 Ca 0.16 -0.47 0.32 0.00 -0.52 0.00 0.00 52.55 52.04 2rov s ASP 70 Cb -0.03 -0.55 1.45 0.00 -1.46 0.00 0.00 42.92 42.33 2rov s ASP 70 CO 0.14 0.28 1.80 0.00 0.52 0.00 0.00 175.17 177.91 2rov h ALA 71 N 5.77 2.72 0.00 3.66 0.00 -1.95 0.77 119.26 130.23 2rov h ALA 71 Ca -0.38 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.31 2rov h ALA 71 Cb 1.15 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 2rov h ALA 71 CO 0.47 -1.16 -0.93 1.57 0.00 0.00 0.00 179.25 179.20 2rov h LYS 72 N 0.00 0.00 0.01 0.00 2.10 -2.03 -3.26 116.57 113.39 2rov h LYS 72 Ca 0.41 -0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.85 2rov h LYS 72 Cb 1.85 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 33.15 2rov h LYS 72 CO -0.00 0.93 -1.00 0.93 -2.00 0.00 0.00 179.45 178.30 2rov h GLU 73 N 0.00 0.02 -0.41 0.07 4.39 0.07 -3.35 114.58 115.37 2rov h GLU 73 Ca -0.01 -0.03 0.08 0.00 0.34 0.00 0.00 59.36 59.75 2rov h GLU 73 Cb 1.64 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 30.21 2rov h GLU 73 CO 0.12 1.00 -0.26 0.82 -1.16 0.00 0.00 179.01 179.53 2rov h ILE 74 N 0.01 0.32 0.00 3.13 1.08 -1.18 0.19 117.51 121.06 2rov h ILE 74 Ca -0.02 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 2rov h ILE 74 Cb 1.76 0.32 0.00 0.00 -3.07 0.00 0.00 36.82 35.83 2rov h ILE 74 CO 0.13 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 176.78 2rov n PRO 75 N -5.40 0.09 -0.17 2.37 -0.04 -1.25 -1.64 135.00 128.95 2rov n PRO 75 Ca 0.02 0.42 0.11 0.00 -0.04 0.00 0.00 63.50 64.01 2rov n PRO 75 Cb 0.32 -1.70 0.19 0.00 -0.04 0.00 0.00 33.50 32.27 2rov n PRO 75 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2rov n ARG 76 N -1.86 2.42 -4.94 0.54 1.74 0.61 -4.77 116.66 110.40 2rov n ARG 76 Ca 0.02 -2.20 -0.33 0.00 -0.77 0.00 0.00 57.85 54.57 2rov n ARG 76 Cb 0.13 -1.48 -0.15 0.00 -1.02 0.00 0.00 32.46 29.94 2rov n ARG 76 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2rov s ILE 77 N -1.47 2.66 0.20 0.55 1.01 -0.65 0.10 121.20 123.60 2rov s ILE 77 Ca 0.36 -0.80 0.11 0.00 0.00 0.00 0.00 60.65 60.31 2rov s ILE 77 Cb 0.21 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 2rov s ILE 77 CO 0.30 0.54 -0.22 0.72 0.00 0.00 0.00 174.94 176.28 2rov s PHE 78 N 0.36 2.15 -0.01 3.97 -0.71 -0.56 -1.67 117.98 121.51 2rov s PHE 78 Ca -0.14 -0.39 0.07 0.00 -1.04 0.00 0.00 56.93 55.43 2rov s PHE 78 Cb -0.17 -1.05 -0.02 0.00 -1.21 0.00 0.00 43.02 40.57 2rov s PHE 78 CO 0.07 0.48 -0.23 -1.14 -1.34 0.00 0.00 175.22 173.05 2rov s GLN 79 N -2.84 2.14 -0.19 1.99 0.74 -0.28 -1.53 119.66 119.69 2rov s GLN 79 Ca 0.21 -0.91 0.00 0.00 0.05 0.00 0.00 55.36 54.71 2rov s GLN 79 Cb -0.07 -2.10 0.04 0.00 1.10 0.00 0.00 33.01 31.98 2rov s GLN 79 CO 0.10 0.56 -0.09 0.42 -0.55 0.00 0.00 175.29 175.73 2rov s ILE 80 N -0.68 1.48 0.11 -2.34 1.01 -0.74 -1.76 121.20 118.28 2rov s ILE 80 Ca 0.11 -0.87 -0.20 0.00 0.00 0.00 0.00 60.65 59.68 2rov s ILE 80 Cb -0.10 -1.58 -0.07 0.00 0.01 0.00 0.00 42.46 40.72 2rov s ILE 80 CO 0.00 0.18 0.63 -0.22 0.00 0.00 0.00 174.94 175.53 2rov s LEU 81 N 1.47 4.51 -0.08 2.97 2.96 -0.86 -0.56 118.68 129.10 2rov s LEU 81 Ca -0.00 1.35 -0.16 0.00 -0.22 0.00 0.00 54.13 55.09 2rov s LEU 81 Cb -0.16 -3.07 0.04 0.00 0.50 0.00 0.00 46.19 43.50 2rov s LEU 81 CO -0.08 0.23 0.39 -0.72 -1.32 0.00 0.00 176.35 174.85 2rov s TYR 82 N -1.18 -0.35 -0.02 5.38 1.13 0.48 -0.94 117.35 121.86 2rov s TYR 82 Ca 0.32 0.72 -0.30 0.00 -1.41 0.00 0.00 57.07 56.40 2rov s TYR 82 Cb -0.20 0.15 -0.05 0.00 -1.10 0.00 0.00 41.96 40.77 2rov s TYR 82 CO 0.21 -0.34 1.39 0.00 -2.51 0.00 0.00 175.55 174.31 2rov s ALA 83 N -0.64 3.58 -0.21 9.51 0.00 -1.15 -1.56 121.76 131.30 2rov s ALA 83 Ca -0.07 0.84 -0.03 0.00 0.00 0.00 0.00 51.96 52.69 2rov s ALA 83 Cb -0.04 -3.60 -0.12 0.00 0.00 0.00 0.00 23.12 19.36 2rov s ALA 83 CO 0.03 -0.95 -0.22 0.27 0.00 0.00 0.00 175.76 174.89 2rov n ASN 84 N 5.57 2.07 -0.00 0.00 0.23 -1.26 -4.86 115.26 117.01 2rov n ASN 84 Ca 0.13 0.04 -0.00 0.00 -0.53 0.00 0.00 54.58 54.22 2rov n ASN 84 Cb 0.44 -0.44 -0.00 0.00 -2.08 0.00 0.00 39.78 37.69 2rov n ASN 84 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2rov n GLU 85 N -3.44 0.01 0.00 -3.83 -0.58 -1.26 -5.05 120.64 106.49 2rov n GLU 85 Ca -0.39 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.36 2rov n GLU 85 Cb 0.85 -0.97 0.00 0.00 -0.57 0.00 0.00 31.44 30.75 2rov n GLU 85 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2rov n GLY 86 N 3.44 0.33 1.86 0.62 0.00 -1.26 -5.07 105.19 105.12 2rov n GLY 86 Ca -0.01 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2rov n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2rov n ILE 87 N 0.00 0.06 0.14 -0.61 -0.00 -1.26 -4.74 119.36 112.94 2rov n ILE 87 Ca 0.00 0.02 0.06 0.00 -0.00 0.00 0.00 62.75 62.83 2rov n ILE 87 Cb 0.00 -0.31 0.54 0.00 -0.00 0.00 0.00 39.64 39.87 2rov n ILE 87 CO 0.00 0.00 0.00 -1.28 -0.00 0.00 0.00 176.55 175.27 2rov h SER 88 N 0.00 0.22 1.42 4.38 0.87 -2.00 -0.40 113.55 118.05 2rov h SER 88 Ca 0.00 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2rov h SER 88 Cb 0.00 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 61.90 2rov h SER 88 CO 0.00 0.16 -0.09 0.28 -0.53 0.00 0.00 176.83 176.65 2rov h SER 89 N 0.26 0.00 -0.79 6.23 0.02 -1.97 -3.46 113.55 113.84 2rov h SER 89 Ca 0.07 0.00 -0.75 0.00 -0.84 0.00 0.00 61.79 60.27 2rov h SER 89 Cb -0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.52 2rov h SER 89 CO -0.02 0.09 0.65 0.00 -1.14 0.00 0.00 176.83 176.41 2rov n ALA 90 N -2.13 -1.05 -1.98 3.77 0.00 -0.16 -4.71 120.51 114.25 2rov n ALA 90 Ca 0.02 0.41 -0.26 0.00 0.00 0.00 0.00 53.44 53.61 2rov n ALA 90 Cb 0.45 -1.67 0.15 0.00 0.00 0.00 0.00 19.45 18.38 2rov n ALA 90 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2rov s LYS 91 N 2.83 1.12 0.22 0.00 -0.14 -0.60 -4.72 119.74 118.46 2rov s LYS 91 Ca 0.92 -0.99 0.03 0.00 -1.36 0.00 0.00 55.97 54.57 2rov s LYS 91 Cb -1.30 -2.15 -0.05 0.00 -1.68 0.00 0.00 37.83 32.65 2rov s LYS 91 CO 0.70 -1.92 -0.01 0.54 -0.76 0.00 0.00 175.35 173.90 2rov s ASN 92 N -4.86 1.75 -0.14 2.83 6.03 -1.26 -0.39 114.94 118.91 2rov s ASN 92 Ca 0.71 -1.20 0.00 0.00 -1.03 0.00 0.00 52.86 51.34 2rov s ASN 92 Cb -0.03 0.02 0.03 0.00 -3.03 0.00 0.00 41.25 38.23 2rov s ASN 92 CO 0.48 -0.51 -0.11 -0.22 -2.03 0.00 0.00 177.10 174.71 2rov s LEU 93 N -3.28 1.52 -0.22 3.54 0.20 0.28 -4.91 118.68 115.81 2rov s LEU 93 Ca 0.27 -0.45 -0.18 0.00 0.69 0.00 0.00 54.13 54.46 2rov s LEU 93 Cb 0.05 -1.04 -0.03 0.00 -0.43 0.00 0.00 46.19 44.74 2rov s LEU 93 CO 0.08 -0.09 0.52 -0.76 -0.29 0.00 0.00 176.35 175.81 2rov s LEU 94 N 1.57 4.11 -0.09 -0.68 2.01 -1.26 -1.79 118.68 122.55 2rov s LEU 94 Ca 0.04 0.62 0.01 0.00 0.01 0.00 0.00 54.13 54.81 2rov s LEU 94 Cb -0.13 -2.70 0.02 0.00 0.01 0.00 0.00 46.19 43.39 2rov s LEU 94 CO -0.10 -0.23 -0.10 -0.76 1.01 0.00 0.00 176.35 176.18 2rov s LEU 95 N 1.91 1.41 0.07 1.79 1.43 -0.58 -4.44 118.68 120.27 2rov s LEU 95 Ca 0.23 -0.30 -0.13 0.00 -1.03 0.00 0.00 54.13 52.91 2rov s LEU 95 Cb -0.15 -0.83 -0.06 0.00 0.03 0.00 0.00 46.19 45.18 2rov s LEU 95 CO 0.09 -0.05 0.44 -0.22 0.23 0.00 0.00 176.35 176.85 2rov s LEU 96 N 1.20 4.39 -0.13 1.79 2.96 -0.79 -1.49 118.68 126.61 2rov s LEU 96 Ca -0.04 0.93 0.01 0.00 -0.22 0.00 0.00 54.13 54.80 2rov s LEU 96 Cb -0.14 -2.94 -0.01 0.00 0.50 0.00 0.00 46.19 43.60 2rov s LEU 96 CO -0.03 0.20 -0.16 0.00 -1.32 0.00 0.00 176.35 175.05 2rov s ALA 97 N -1.31 2.50 0.56 5.97 0.00 0.28 -2.45 121.76 127.31 2rov s ALA 97 Ca 0.31 -0.93 0.33 0.00 0.00 0.00 0.00 51.96 51.67 2rov s ALA 97 Cb -0.15 -1.12 1.46 0.00 0.00 0.00 0.00 23.12 23.31 2rov s ALA 97 CO 0.17 0.22 1.79 -2.95 0.00 0.00 0.00 175.76 174.99 2rov h ASN 98 N 6.79 0.00 -4.15 0.00 7.08 -1.87 -3.39 115.58 120.03 2rov h ASN 98 Ca -0.25 0.00 -0.28 0.00 -3.08 0.00 0.00 56.30 52.69 2rov h ASN 98 Cb 1.22 0.00 -0.26 0.00 -2.08 0.00 0.00 38.32 37.20 2rov h ASN 98 CO 0.54 0.00 -0.74 -0.44 -2.08 0.00 0.00 177.43 174.71 2rov s SER 99 N -5.05 0.49 0.27 6.14 0.01 -1.26 -5.04 113.70 109.26 2rov s SER 99 Ca -0.05 -0.21 -0.00 0.00 1.31 0.00 0.00 55.95 57.00 2rov s SER 99 Cb 0.20 -0.01 0.58 0.00 0.21 0.00 0.00 66.02 66.99 2rov s SER 99 CO 0.69 -0.04 1.72 0.74 0.41 0.00 0.00 173.24 176.77 2rov h THR 100 N 4.90 0.60 -0.94 1.44 2.02 -1.86 0.54 112.91 119.61 2rov h THR 100 Ca -0.29 -0.16 0.13 0.00 0.77 0.00 0.00 66.41 66.86 2rov h THR 100 Cb 1.20 0.09 -0.09 0.00 -1.74 0.00 0.00 68.15 67.61 2rov h THR 100 CO 0.47 0.09 0.56 -0.33 0.37 0.00 0.00 175.52 176.68 2rov h GLU 101 N 0.47 0.83 -0.94 6.66 5.08 -1.94 -0.49 114.58 124.24 2rov h GLU 101 Ca 0.48 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.83 2rov h GLU 101 Cb 0.79 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 2rov h GLU 101 CO -0.44 0.55 0.62 1.49 -1.00 0.00 0.00 179.01 180.22 2rov h GLU 102 N 0.85 1.14 -0.31 2.33 4.57 -1.26 -0.77 114.58 121.14 2rov h GLU 102 Ca 0.49 -0.07 -0.08 0.00 -1.18 0.00 0.00 59.36 58.51 2rov h GLU 102 Cb 0.56 -0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 2rov h GLU 102 CO -0.30 0.76 -0.16 0.37 -1.18 0.00 0.00 179.01 178.50 2rov h GLN 103 N 1.18 0.55 -0.18 1.92 -0.00 -1.00 0.22 115.11 117.78 2rov h GLN 103 Ca 0.37 -0.18 -0.15 0.00 -0.00 0.00 0.00 58.65 58.69 2rov h GLN 103 Cb 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 27.44 2rov h GLN 103 CO -0.11 0.69 -0.53 1.96 0.00 0.00 0.00 178.83 180.83 2rov h GLN 104 N 0.50 0.53 0.02 1.69 1.08 -0.80 -2.14 115.11 115.99 2rov h GLN 104 Ca 0.08 -0.32 -0.00 0.00 -1.45 0.00 0.00 58.65 56.96 2rov h GLN 104 Cb 0.57 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 2rov h GLN 104 CO 0.04 0.93 -0.01 -0.22 -0.95 0.00 0.00 178.83 178.61 2rov h LYS 105 N 0.41 -0.03 -0.13 1.46 3.64 -0.88 -1.91 116.57 119.13 2rov h LYS 105 Ca 0.01 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 2rov h LYS 105 Cb 1.06 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.85 2rov h LYS 105 CO 0.10 0.70 -0.12 -1.49 -2.27 0.00 0.00 179.45 176.37 2rov h TRP 106 N -0.87 -0.30 0.13 1.91 4.06 -0.65 0.41 115.95 120.65 2rov h TRP 106 Ca -0.00 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.96 2rov h TRP 106 Cb 0.75 0.15 0.00 0.00 -1.00 0.00 0.00 29.16 29.06 2rov h TRP 106 CO 0.19 -0.18 -0.06 0.28 -3.56 0.00 0.00 178.44 175.11 2rov h VAL 107 N -0.14 0.99 -0.65 1.49 2.07 -1.52 0.69 116.25 119.19 2rov h VAL 107 Ca 0.09 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 2rov h VAL 107 Cb 0.27 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 2rov h VAL 107 CO -0.22 0.13 0.36 -1.28 0.02 0.00 0.00 177.57 176.58 2rov h SER 108 N -0.43 0.79 0.10 0.57 0.87 -1.21 0.15 113.55 114.38 2rov h SER 108 Ca -0.02 -0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.48 2rov h SER 108 Cb 0.35 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 2rov h SER 108 CO 0.03 0.63 -0.05 0.03 -0.53 0.00 0.00 176.83 176.94 2rov h ARG 109 N 0.90 -0.13 -0.77 2.24 2.47 -0.12 -1.40 114.38 117.57 2rov h ARG 109 Ca 0.23 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.96 2rov h ARG 109 Cb 0.01 0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.32 2rov h ARG 109 CO -0.04 0.36 0.49 1.37 0.56 0.00 0.00 179.97 182.71 2rov h LEU 110 N -0.89 0.90 -0.20 3.04 8.10 -0.82 -1.68 115.31 123.76 2rov h LEU 110 Ca -0.01 -0.04 -0.15 0.00 0.11 0.00 0.00 57.88 57.79 2rov h LEU 110 Cb 0.55 -0.23 0.00 0.00 -0.44 0.00 0.00 40.66 40.55 2rov h LEU 110 CO 0.02 0.67 -0.48 1.62 -4.11 0.00 0.00 178.44 176.17 2rov h VAL 111 N 1.05 1.32 -0.05 0.15 3.04 -0.79 -3.02 116.25 117.95 2rov h VAL 111 Ca 0.28 -1.71 0.01 0.00 -1.01 0.00 0.00 66.70 64.27 2rov h VAL 111 Cb -0.08 1.88 -0.00 0.00 -2.01 0.00 0.00 31.29 31.08 2rov h VAL 111 CO -0.06 0.53 0.03 0.11 -1.01 0.00 0.00 177.57 177.18 2rov h LYS 112 N 0.37 0.04 0.00 4.17 1.57 -0.85 0.29 116.57 122.16 2rov h LYS 112 Ca -0.00 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2rov h LYS 112 Cb 1.09 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 2rov h LYS 112 CO 0.10 0.02 -0.18 0.87 -0.57 0.00 0.00 179.45 179.69 2rov h LYS 113 N 0.04 0.00 -6.79 3.15 1.57 -1.19 -3.45 116.57 109.90 2rov h LYS 113 Ca 0.02 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.27 2rov h LYS 113 Cb 0.03 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.41 2rov h LYS 113 CO -0.00 0.18 0.75 0.42 -0.57 0.00 0.00 179.45 180.23 2rov s ILE 114 N -3.57 2.58 0.09 1.86 1.01 0.09 -4.76 121.20 118.49 2rov s ILE 114 Ca 0.01 0.51 -0.14 0.00 0.00 0.00 0.00 60.65 61.03 2rov s ILE 114 Cb 0.09 -3.32 -0.14 0.00 0.01 0.00 0.00 42.46 39.09 2rov s ILE 114 CO 0.63 0.09 1.31 1.55 0.00 0.00 0.00 174.94 178.52 2rov h PRO 115 N 4.57 0.71 -2.08 2.79 0.13 -1.86 -3.28 132.00 132.98 2rov h PRO 115 Ca -0.47 -0.53 -0.53 0.00 -0.87 0.00 0.00 66.00 63.60 2rov h PRO 115 Cb 1.22 0.09 -0.17 0.00 0.13 0.00 0.00 31.00 32.28 2rov h PRO 115 CO 0.75 1.15 0.66 1.63 -0.23 0.00 0.00 178.00 181.96 2rov n LYS 116 N -4.08 2.71 0.00 0.86 5.02 -1.26 -5.18 118.16 116.22 2rov n LYS 116 Ca -0.07 -2.50 0.05 0.00 -2.02 0.00 0.00 58.31 53.77 2rov n LYS 116 Cb 0.65 -2.21 0.29 0.00 -0.02 0.00 0.00 35.03 33.73 2rov n LYS 116 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05