#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i85 s HIS 4 N 0.00 1.78 -0.12 1.12 2.46 -1.26 -4.03 115.29 115.24 1i85 s HIS 4 Ca 0.00 -0.18 0.03 0.00 0.47 0.00 0.00 55.06 55.38 1i85 s HIS 4 Cb 0.00 -4.18 0.00 0.00 -0.13 0.00 0.00 32.58 28.27 1i85 s HIS 4 CO 0.00 -5.07 -0.22 0.08 -2.47 0.00 0.00 174.74 167.06 1i85 s VAL 5 N 3.53 2.14 0.01 0.89 1.01 -1.26 -3.57 120.40 123.14 1i85 s VAL 5 Ca 0.83 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.85 1i85 s VAL 5 Cb -0.44 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 1i85 s VAL 5 CO 0.38 0.55 -0.04 0.00 0.00 0.00 0.00 175.10 175.99 1i85 s ALA 6 N 0.59 0.32 0.33 5.51 0.00 -0.82 -3.92 121.76 123.76 1i85 s ALA 6 Ca -0.12 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.54 1i85 s ALA 6 Cb -0.17 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 1i85 s ALA 6 CO 0.03 0.02 0.13 1.14 0.00 0.00 0.00 175.76 177.08 1i85 s GLN 7 N -0.55 1.68 0.29 0.00 -2.07 -1.26 -1.87 119.66 115.87 1i85 s GLN 7 Ca -0.03 -1.97 -0.28 0.00 -1.82 0.00 0.00 55.36 51.26 1i85 s GLN 7 Cb -0.04 -0.38 -0.14 0.00 -1.09 0.00 0.00 33.01 31.36 1i85 s GLN 7 CO -0.00 -0.40 0.97 -2.30 -1.32 0.00 0.00 175.29 172.24 1i85 n PRO 8 N -0.68 1.25 0.00 9.60 -0.02 -1.23 -4.87 135.00 139.06 1i85 n PRO 8 Ca -0.01 0.44 -0.13 0.00 -2.02 0.00 0.00 63.50 61.77 1i85 n PRO 8 Cb 0.65 -1.78 -0.09 0.00 -0.02 0.00 0.00 33.50 32.26 1i85 n PRO 8 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i85 h ALA 9 N 1.90 -0.85 -2.59 3.55 0.00 -1.97 -3.39 119.26 115.91 1i85 h ALA 9 Ca -0.39 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 1i85 h ALA 9 Cb 1.35 0.95 -0.18 0.00 0.00 0.00 0.00 17.79 19.90 1i85 h ALA 9 CO 0.60 -1.02 -0.38 0.54 0.00 0.00 0.00 179.25 178.99 1i85 s VAL 10 N -5.37 0.10 0.05 0.00 0.11 -1.26 -3.24 120.40 110.79 1i85 s VAL 10 Ca -0.14 -0.80 -0.06 0.00 -2.93 0.00 0.00 61.98 58.06 1i85 s VAL 10 Cb 0.06 -0.81 -0.01 0.00 -1.53 0.00 0.00 36.38 34.09 1i85 s VAL 10 CO 0.53 -0.44 0.10 -0.69 -3.33 0.00 0.00 175.10 171.28 1i85 s VAL 11 N -2.26 0.15 -0.12 2.04 1.01 0.86 -4.90 120.40 117.18 1i85 s VAL 11 Ca -0.07 -1.21 -0.01 0.00 0.00 0.00 0.00 61.98 60.69 1i85 s VAL 11 Cb -0.02 -1.10 0.03 0.00 0.00 0.00 0.00 36.38 35.29 1i85 s VAL 11 CO -0.02 -0.67 -0.06 -0.76 0.00 0.00 0.00 175.10 173.59 1i85 s LEU 12 N -2.42 1.22 0.55 3.92 1.02 -1.26 -0.67 118.68 121.05 1i85 s LEU 12 Ca -0.01 -0.37 -0.20 0.00 0.02 0.00 0.00 54.13 53.57 1i85 s LEU 12 Cb 0.02 -0.82 -0.05 0.00 0.02 0.00 0.00 46.19 45.36 1i85 s LEU 12 CO -0.07 -0.14 1.25 0.00 0.02 0.00 0.00 176.35 177.41 1i85 s ALA 13 N 1.72 2.70 1.36 4.21 0.00 -1.14 -4.89 121.76 125.72 1i85 s ALA 13 Ca 0.04 1.10 -0.22 0.00 0.00 0.00 0.00 51.96 52.88 1i85 s ALA 13 Cb -0.13 -3.48 0.34 0.00 0.00 0.00 0.00 23.12 19.86 1i85 s ALA 13 CO -0.08 -1.14 1.00 0.45 0.00 0.00 0.00 175.76 175.99 1i85 s SER 14 N -1.35 -0.48 0.25 0.00 0.15 -1.12 -4.83 113.70 106.33 1i85 s SER 14 Ca 0.73 0.72 0.21 0.00 0.70 0.00 0.00 55.95 58.31 1i85 s SER 14 Cb -0.33 -0.99 0.97 0.00 -1.71 0.00 0.00 66.02 63.96 1i85 s SER 14 CO 0.38 -4.99 1.65 -1.54 1.20 0.00 0.00 173.24 169.93 1i85 n SER 15 N -5.36 0.56 0.01 5.45 3.41 -1.26 -2.05 113.62 114.37 1i85 n SER 15 Ca 0.14 0.68 0.11 0.00 -0.26 0.00 0.00 58.87 59.53 1i85 n SER 15 Cb 0.60 -0.78 -0.02 0.00 -0.26 0.00 0.00 64.21 63.74 1i85 n SER 15 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1i85 n ARG 16 N -2.16 0.19 0.00 4.33 3.00 -1.26 -4.24 116.66 116.51 1i85 n ARG 16 Ca 0.01 -0.03 0.00 0.00 -0.01 0.00 0.00 57.85 57.82 1i85 n ARG 16 Cb 0.15 -1.54 0.00 0.00 0.00 0.00 0.00 32.46 31.07 1i85 n ARG 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1i85 n GLY 17 N 1.42 1.79 3.21 -0.13 0.00 -0.87 -4.35 105.19 106.26 1i85 n GLY 17 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1i85 n GLY 17 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i85 s ILE 18 N -2.00 4.42 -0.06 -0.61 1.01 -1.26 0.40 121.20 123.10 1i85 s ILE 18 Ca 0.00 -2.19 -0.04 0.00 0.00 0.00 0.00 60.65 58.42 1i85 s ILE 18 Cb 0.00 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 1i85 s ILE 18 CO 0.00 -0.86 0.12 0.00 0.00 0.00 0.00 174.94 174.20 1i85 s ALA 19 N 0.80 3.76 -0.15 9.38 0.00 -0.81 -2.78 121.76 131.95 1i85 s ALA 19 Ca 0.11 -0.74 -0.04 0.00 0.00 0.00 0.00 51.96 51.29 1i85 s ALA 19 Cb -0.22 -1.80 0.07 0.00 0.00 0.00 0.00 23.12 21.17 1i85 s ALA 19 CO -0.03 0.66 0.17 0.45 0.00 0.00 0.00 175.76 177.01 1i85 s SER 20 N -1.39 1.35 0.44 0.00 0.15 -1.26 -1.03 113.70 111.96 1i85 s SER 20 Ca 0.20 -0.10 0.07 0.00 0.70 0.00 0.00 55.95 56.81 1i85 s SER 20 Cb -0.12 0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 64.35 1i85 s SER 20 CO 0.10 -0.30 0.18 0.72 1.20 0.00 0.00 173.24 175.14 1i85 s PHE 21 N 2.27 2.43 -0.26 3.44 -0.71 -1.04 -4.94 117.98 119.16 1i85 s PHE 21 Ca 0.04 -0.65 -0.00 0.00 -1.04 0.00 0.00 56.93 55.28 1i85 s PHE 21 Cb -0.14 -1.92 0.04 0.00 -1.21 0.00 0.00 43.02 39.79 1i85 s PHE 21 CO -0.09 0.13 -0.06 0.08 -1.34 0.00 0.00 175.22 173.94 1i85 s VAL 22 N -2.65 2.69 -0.29 -2.49 1.01 -1.26 -0.86 120.40 116.55 1i85 s VAL 22 Ca 0.37 -1.29 -0.07 0.00 0.00 0.00 0.00 61.98 60.99 1i85 s VAL 22 Cb 0.03 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.95 1i85 s VAL 22 CO 0.20 0.06 0.07 0.00 0.00 0.00 0.00 175.10 175.44 1i85 s GLU 24 N 1.49 2.73 0.41 0.00 -1.05 -0.78 -1.19 118.70 120.31 1i85 s GLU 24 Ca 0.03 -0.77 0.07 0.00 -0.15 0.00 0.00 54.97 54.15 1i85 s GLU 24 Cb -0.17 -2.09 -0.08 0.00 -0.44 0.00 0.00 34.13 31.35 1i85 s GLU 24 CO 0.02 0.14 0.02 1.52 0.95 0.00 0.00 175.26 177.91 1i85 s TYR 25 N 0.43 2.52 -0.67 4.83 1.13 0.60 -1.95 117.35 124.24 1i85 s TYR 25 Ca -0.18 -0.67 -0.26 0.00 -1.41 0.00 0.00 57.07 54.55 1i85 s TYR 25 Cb -0.17 -1.79 0.04 0.00 -1.10 0.00 0.00 41.96 38.93 1i85 s TYR 25 CO 0.07 0.43 1.17 0.00 -2.51 0.00 0.00 175.55 174.72 1i85 s ALA 26 N -2.70 2.91 1.10 9.51 0.00 -1.23 -4.24 121.76 127.11 1i85 s ALA 26 Ca 0.35 -1.29 -0.15 0.00 0.00 0.00 0.00 51.96 50.87 1i85 s ALA 26 Cb 0.09 -4.09 0.16 0.00 0.00 0.00 0.00 23.12 19.29 1i85 s ALA 26 CO 0.18 -2.96 0.47 0.45 0.00 0.00 0.00 175.76 173.90 1i85 n SER 27 N 8.69 -1.95 -4.74 0.00 2.88 -1.26 -5.00 113.62 112.24 1i85 n SER 27 Ca 0.03 -0.04 -0.35 0.00 -1.33 0.00 0.00 58.87 57.18 1i85 n SER 27 Cb 0.48 -1.13 -0.08 0.00 -0.75 0.00 0.00 64.21 62.74 1i85 n SER 27 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 1i85 s PRO 28 N -3.86 3.75 -1.19 -1.46 0.02 -1.26 -5.03 135.00 125.96 1i85 s PRO 28 Ca 0.61 -0.25 -0.08 0.00 0.02 0.00 0.00 61.00 61.30 1i85 s PRO 28 Cb -0.18 -3.21 -0.05 0.00 0.02 0.00 0.00 34.50 31.08 1i85 s PRO 28 CO 0.65 0.49 2.89 0.41 -0.33 0.00 0.00 177.00 181.11 1i85 n GLY 29 N 2.89 4.34 0.00 0.52 0.00 -1.26 -4.73 105.19 106.94 1i85 n GLY 29 Ca -0.18 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.20 1i85 n GLY 29 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1i85 n LYS 30 N 2.66 0.00 -1.07 1.61 2.85 -1.26 -5.13 118.16 117.82 1i85 n LYS 30 Ca 0.66 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 57.51 1i85 n LYS 30 Cb 0.37 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.70 1i85 n LYS 30 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1i85 n ALA 31 N -0.29 -2.71 -3.53 0.58 0.00 -1.26 -4.91 120.51 108.38 1i85 n ALA 31 Ca 0.00 0.41 -0.14 0.00 0.00 0.00 0.00 53.44 53.71 1i85 n ALA 31 Cb 0.00 -1.25 -0.05 0.00 0.00 0.00 0.00 19.45 18.15 1i85 n ALA 31 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1i85 s THR 32 N -0.10 0.00 -0.33 0.00 -1.32 -1.26 -4.52 115.64 108.11 1i85 s THR 32 Ca 0.63 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.95 1i85 s THR 32 Cb -0.88 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.10 1i85 s THR 32 CO 0.41 0.00 0.42 -0.70 -2.21 0.00 0.00 174.62 172.54 1i85 s GLU 33 N -1.50 3.68 0.16 7.08 2.12 -0.78 -3.72 118.70 125.74 1i85 s GLU 33 Ca -0.06 -0.23 0.06 0.00 0.36 0.00 0.00 54.97 55.10 1i85 s GLU 33 Cb -0.00 -3.77 -0.04 0.00 0.26 0.00 0.00 34.13 30.58 1i85 s GLU 33 CO 0.04 -0.51 0.09 0.08 -0.54 0.00 0.00 175.26 174.42 1i85 s VAL 34 N 2.16 4.24 -0.25 3.70 1.01 -1.12 -2.16 120.40 127.98 1i85 s VAL 34 Ca 0.15 -1.16 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 1i85 s VAL 34 Cb -0.16 -3.14 0.08 0.00 0.00 0.00 0.00 36.38 33.16 1i85 s VAL 34 CO 0.12 -0.08 0.08 -0.60 0.00 0.00 0.00 175.10 174.62 1i85 s ARG 35 N -2.97 0.47 -0.13 2.72 3.52 -0.85 -1.33 118.95 120.37 1i85 s ARG 35 Ca 0.30 -0.58 -0.19 0.00 -0.13 0.00 0.00 55.73 55.13 1i85 s ARG 35 Cb -0.10 -1.79 -0.04 0.00 -1.56 0.00 0.00 34.95 31.46 1i85 s ARG 35 CO 0.22 -0.84 0.52 0.54 -0.81 0.00 0.00 175.30 174.93 1i85 s VAL 36 N 1.90 5.15 -0.12 7.11 0.11 -0.29 -2.68 120.40 131.58 1i85 s VAL 36 Ca 0.05 1.04 0.03 0.00 -2.93 0.00 0.00 61.98 60.17 1i85 s VAL 36 Cb -0.17 -3.86 0.01 0.00 -1.53 0.00 0.00 36.38 30.83 1i85 s VAL 36 CO -0.20 0.28 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.75 1i85 s THR 37 N 0.86 1.90 -0.30 5.04 2.01 -0.83 -0.84 115.64 123.48 1i85 s THR 37 Ca 0.28 -0.90 -0.13 0.00 0.31 0.00 0.00 61.69 61.24 1i85 s THR 37 Cb -0.16 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 1i85 s THR 37 CO 0.11 0.52 0.28 -0.69 -0.69 0.00 0.00 174.62 174.16 1i85 s VAL 38 N 0.66 5.24 0.00 3.82 1.01 0.29 -1.25 120.40 130.18 1i85 s VAL 38 Ca -0.12 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1i85 s VAL 38 Cb -0.16 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.54 1i85 s VAL 38 CO 0.02 0.10 0.00 0.18 0.00 0.00 0.00 175.10 175.40 1i85 n LEU 39 N 5.21 0.00 -3.40 3.92 4.77 0.39 -0.80 117.00 127.08 1i85 n LEU 39 Ca -0.11 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.89 1i85 n LEU 39 Cb 0.51 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.55 1i85 n LEU 39 CO 0.36 -0.26 0.92 -0.60 -1.33 0.00 0.00 177.39 176.49 1i85 s ARG 40 N 0.42 0.07 -0.14 3.23 3.52 -1.10 -3.14 118.95 121.82 1i85 s ARG 40 Ca 0.00 0.16 -0.04 0.00 -0.13 0.00 0.00 55.73 55.72 1i85 s ARG 40 Cb 0.00 0.06 -0.03 0.00 -1.56 0.00 0.00 34.95 33.42 1i85 s ARG 40 CO 0.00 -0.02 -0.01 -0.65 -0.81 0.00 0.00 175.30 173.81 1i85 s GLN 41 N 1.65 3.51 0.00 5.12 -0.21 -0.41 -2.53 119.66 126.78 1i85 s GLN 41 Ca -0.04 -0.46 0.00 0.00 0.02 0.00 0.00 55.36 54.89 1i85 s GLN 41 Cb -0.02 -2.92 0.00 0.00 1.00 0.00 0.00 33.01 31.07 1i85 s GLN 41 CO -0.14 0.39 0.00 0.00 -2.12 0.00 0.00 175.29 173.42 1i85 n ALA 42 N 3.11 0.00 0.09 6.09 0.00 -1.09 -3.77 120.51 124.94 1i85 n ALA 42 Ca -0.18 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.04 1i85 n ALA 42 Cb 0.53 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.85 1i85 n ALA 42 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1i85 h ASP 43 N 0.00 0.89 0.00 0.00 5.19 -2.01 -3.45 116.42 117.04 1i85 h ASP 43 Ca 0.00 -0.82 0.00 0.00 -0.62 0.00 0.00 57.03 55.59 1i85 h ASP 43 Cb 0.00 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.23 1i85 h ASP 43 CO 0.00 1.62 0.00 -1.20 -3.12 0.00 0.00 179.24 176.54 1i85 n SER 44 N -3.80 0.00 -4.59 6.45 7.64 -1.26 -5.09 113.62 112.97 1i85 n SER 44 Ca -0.14 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.32 1i85 n SER 44 Cb 0.98 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.16 1i85 n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i85 s GLN 45 N 0.00 3.10 -0.24 1.43 -2.07 -1.26 -4.92 119.66 115.71 1i85 s GLN 45 Ca 0.00 1.70 -0.15 0.00 -1.82 0.00 0.00 55.36 55.09 1i85 s GLN 45 Cb 0.00 -4.32 -0.04 0.00 -1.09 0.00 0.00 33.01 27.56 1i85 s GLN 45 CO 0.00 -2.13 0.38 0.08 -1.32 0.00 0.00 175.29 172.30 1i85 s VAL 46 N 8.12 5.19 0.15 3.63 1.01 -1.26 -2.66 120.40 134.58 1i85 s VAL 46 Ca 0.91 0.61 0.02 0.00 0.00 0.00 0.00 61.98 63.52 1i85 s VAL 46 Cb -0.27 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1i85 s VAL 46 CO 0.33 0.20 -0.01 0.42 0.00 0.00 0.00 175.10 176.04 1i85 s THR 47 N 1.74 0.64 -0.26 3.92 -4.23 -1.05 -4.99 115.64 111.42 1i85 s THR 47 Ca 0.16 -1.96 -0.27 0.00 -1.18 0.00 0.00 61.69 58.44 1i85 s THR 47 Cb -0.15 -1.99 0.01 0.00 1.34 0.00 0.00 72.50 71.70 1i85 s THR 47 CO 0.09 -0.59 0.97 -0.70 -0.54 0.00 0.00 174.62 173.85 1i85 s GLU 48 N -3.90 4.18 -0.15 3.99 2.12 -1.26 -2.69 118.70 120.99 1i85 s GLU 48 Ca 0.21 1.13 -0.25 0.00 0.36 0.00 0.00 54.97 56.42 1i85 s GLU 48 Cb 0.06 -3.67 -0.25 0.00 0.26 0.00 0.00 34.13 30.54 1i85 s GLU 48 CO 0.01 -0.65 0.62 0.28 -0.54 0.00 0.00 175.26 174.98 1i85 h VAL 49 N 5.51 1.49 -1.64 3.70 2.07 -1.24 -3.50 116.25 122.64 1i85 h VAL 49 Ca -0.21 -2.33 0.30 0.00 0.82 0.00 0.00 66.70 65.29 1i85 h VAL 49 Cb 1.07 3.03 -0.11 0.00 -1.52 0.00 0.00 31.29 33.76 1i85 h VAL 49 CO 0.95 0.55 0.78 0.00 0.02 0.00 0.00 177.57 179.87 1i85 s ALA 51 N -2.51 -1.85 0.06 0.00 0.00 -1.26 -0.54 121.76 115.65 1i85 s ALA 51 Ca 0.15 1.60 -0.03 0.00 0.00 0.00 0.00 51.96 53.69 1i85 s ALA 51 Cb 0.04 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 1i85 s ALA 51 CO -0.03 -0.33 0.03 0.00 0.00 0.00 0.00 175.76 175.43 1i85 s ALA 52 N -0.68 0.30 -0.17 0.00 0.00 -0.02 -4.72 121.76 116.47 1i85 s ALA 52 Ca -0.04 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.90 1i85 s ALA 52 Cb -0.02 0.31 0.01 0.00 0.00 0.00 0.00 23.12 23.43 1i85 s ALA 52 CO 0.04 -0.39 -0.17 0.99 0.00 0.00 0.00 175.76 176.22 1i85 s THR 53 N -3.77 2.38 0.01 0.00 2.01 -1.26 -1.14 115.64 113.87 1i85 s THR 53 Ca 0.05 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.22 1i85 s THR 53 Cb 0.06 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 70.56 1i85 s THR 53 CO -0.10 0.52 -0.03 -0.72 -0.69 0.00 0.00 174.62 173.60 1i85 s TYR 54 N 1.15 0.29 0.16 4.92 1.13 -0.45 -4.69 117.35 119.86 1i85 s TYR 54 Ca 0.01 -0.22 -0.03 0.00 -1.41 0.00 0.00 57.07 55.43 1i85 s TYR 54 Cb -0.14 -0.19 0.04 0.00 -1.10 0.00 0.00 41.96 40.57 1i85 s TYR 54 CO -0.07 -0.06 0.11 -1.33 -2.51 0.00 0.00 175.55 171.69 1i85 n MET 55 N 2.47 -1.94 0.11 -3.49 2.81 -1.26 -2.81 117.12 113.00 1i85 n MET 55 Ca -0.16 -0.18 -0.13 0.00 -1.81 0.00 0.00 57.70 55.42 1i85 n MET 55 Cb 0.58 -0.20 -0.06 0.00 -0.71 0.00 0.00 33.22 32.82 1i85 n MET 55 CO 0.00 0.00 0.00 1.98 1.51 0.00 0.00 175.97 179.46 1i85 h MET 56 N 0.00 -0.53 -1.95 0.03 4.05 -1.98 -3.39 114.93 111.16 1i85 h MET 56 Ca -0.05 0.04 -0.51 0.00 -0.28 0.00 0.00 59.70 58.90 1i85 h MET 56 Cb 0.15 0.12 -0.39 0.00 -0.80 0.00 0.00 31.60 30.68 1i85 h MET 56 CO 0.03 -0.35 -1.14 0.41 0.23 0.00 0.00 176.91 176.09 1i85 n GLY 57 N -1.42 3.17 3.41 1.39 0.00 -1.26 -3.84 105.19 106.63 1i85 n GLY 57 Ca -0.06 -1.59 -0.23 0.00 0.00 0.00 0.00 46.02 44.14 1i85 n GLY 57 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i85 s ASN 58 N -1.80 2.25 0.33 1.61 -0.87 -1.23 -4.85 114.94 110.39 1i85 s ASN 58 Ca 0.37 -1.70 -0.28 0.00 -1.57 0.00 0.00 52.86 49.69 1i85 s ASN 58 Cb 0.26 0.53 -0.09 0.00 -0.02 0.00 0.00 41.25 41.93 1i85 s ASN 58 CO -0.10 -0.98 1.10 -1.61 -2.57 0.00 0.00 177.10 172.94 1i85 s GLU 59 N -3.62 4.44 0.09 -0.60 2.02 -1.26 -2.29 118.70 117.48 1i85 s GLU 59 Ca 0.31 1.74 -0.30 0.00 0.02 0.00 0.00 54.97 56.74 1i85 s GLU 59 Cb 0.03 -2.96 -0.06 0.00 0.10 0.00 0.00 34.13 31.23 1i85 s GLU 59 CO 0.20 0.05 1.19 -0.51 0.02 0.00 0.00 175.26 176.21 1i85 s LEU 60 N -1.88 4.39 -0.65 1.80 2.01 0.28 -4.94 118.68 119.69 1i85 s LEU 60 Ca 0.49 2.06 -0.10 0.00 0.01 0.00 0.00 54.13 56.59 1i85 s LEU 60 Cb -0.29 -3.59 0.17 0.00 0.01 0.00 0.00 46.19 42.49 1i85 s LEU 60 CO 0.38 -0.43 0.54 0.28 1.01 0.00 0.00 176.35 178.13 1i85 s THR 61 N 0.76 4.72 -1.35 5.49 -1.32 -1.26 -4.51 115.64 118.16 1i85 s THR 61 Ca 0.57 -2.30 -0.15 0.00 -1.21 0.00 0.00 61.69 58.60 1i85 s THR 61 Cb -0.30 -4.01 0.08 0.00 -1.51 0.00 0.00 72.50 66.76 1i85 s THR 61 CO 0.31 -0.91 1.92 0.49 -2.21 0.00 0.00 174.62 174.22 1i85 n PHE 62 N 4.25 4.09 -0.35 9.09 3.72 -1.26 -4.68 117.46 132.31 1i85 n PHE 62 Ca 0.03 -2.94 0.29 0.00 -0.05 0.00 0.00 57.45 54.79 1i85 n PHE 62 Cb 0.42 -2.51 0.61 0.00 -0.94 0.00 0.00 39.48 37.06 1i85 n PHE 62 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1i85 h LEU 63 N 10.87 0.27 -0.99 4.37 -0.00 -1.94 0.16 115.31 128.06 1i85 h LEU 63 Ca 0.48 0.07 0.36 0.00 -0.00 0.00 0.00 57.88 58.79 1i85 h LEU 63 Cb 0.76 0.03 -0.12 0.00 -0.00 0.00 0.00 40.66 41.33 1i85 h LEU 63 CO 1.63 0.02 0.61 0.47 -0.00 0.00 0.00 178.44 181.17 1i85 n ASP 64 N -4.49 0.19 0.00 -0.43 10.43 -1.26 -4.61 116.55 116.37 1i85 n ASP 64 Ca 0.28 1.13 0.00 0.00 2.57 0.00 0.00 54.79 58.76 1i85 n ASP 64 Cb 1.10 -0.55 0.00 0.00 1.84 0.00 0.00 41.12 43.50 1i85 n ASP 64 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1i85 n ASP 65 N -4.37 -3.63 -1.40 -2.24 -0.08 0.56 -4.98 116.55 100.41 1i85 n ASP 65 Ca 0.31 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.59 1i85 n ASP 65 Cb 1.16 -1.26 0.00 0.00 2.34 0.00 0.00 41.12 43.36 1i85 n ASP 65 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1i85 n SER 66 N -0.25 0.00 -0.60 1.67 3.41 -1.26 -4.89 113.62 111.69 1i85 n SER 66 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.66 1i85 n SER 66 Cb 0.13 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.27 1i85 n SER 66 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1i85 n ILE 67 N 0.00 2.20 -5.16 -1.33 -5.35 -1.26 -5.02 119.36 103.44 1i85 n ILE 67 Ca 0.00 -2.80 -0.32 0.00 -0.27 0.00 0.00 62.75 59.36 1i85 n ILE 67 Cb 0.00 -0.26 -0.16 0.00 -1.74 0.00 0.00 39.64 37.48 1i85 n ILE 67 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1i85 s THR 69 N -0.15 -0.11 0.22 0.00 -4.23 -0.91 -4.61 115.64 105.85 1i85 s THR 69 Ca -0.03 -0.78 0.10 0.00 -1.18 0.00 0.00 61.69 59.80 1i85 s THR 69 Cb -0.14 -0.99 -0.05 0.00 1.34 0.00 0.00 72.50 72.67 1i85 s THR 69 CO 0.04 -0.70 -0.19 -0.83 -0.54 0.00 0.00 174.62 172.40 1i85 s GLY 70 N 2.07 1.64 0.24 3.99 0.00 -1.26 -3.16 107.32 110.85 1i85 s GLY 70 Ca 0.10 -1.71 0.07 0.00 0.00 0.00 0.00 44.72 43.18 1i85 s GLY 70 CO -0.34 -1.78 -0.09 -0.51 0.00 0.00 0.00 173.10 170.38 1i85 s THR 71 N -2.40 1.66 0.05 0.90 -4.23 -0.24 1.00 115.64 112.38 1i85 s THR 71 Ca 0.24 -2.16 -0.04 0.00 -1.18 0.00 0.00 61.69 58.54 1i85 s THR 71 Cb -0.05 -2.27 -0.02 0.00 1.34 0.00 0.00 72.50 71.51 1i85 s THR 71 CO 0.10 -0.43 0.06 -0.94 -0.54 0.00 0.00 174.62 172.88 1i85 s SER 72 N -3.38 0.29 -0.35 3.99 1.04 -0.97 0.06 113.70 114.38 1i85 s SER 72 Ca 0.26 -0.74 -0.06 0.00 0.48 0.00 0.00 55.95 55.89 1i85 s SER 72 Cb 0.02 0.24 0.20 0.00 0.10 0.00 0.00 66.02 66.57 1i85 s SER 72 CO 0.10 -0.59 1.04 -0.94 0.98 0.00 0.00 173.24 173.83 1i85 s SER 73 N -2.57 -0.42 0.25 7.02 1.04 -1.07 -3.48 113.70 114.47 1i85 s SER 73 Ca 0.01 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1i85 s SER 73 Cb 0.03 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1i85 s SER 73 CO -0.08 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.72 1i85 n GLY 74 N 3.16 -5.30 4.97 7.32 0.00 -1.25 -4.39 105.19 109.69 1i85 n GLY 74 Ca 0.09 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1i85 n GLY 74 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1i85 n ASN 75 N 1.54 0.00 -3.74 1.61 3.02 -1.26 -4.83 115.26 111.61 1i85 n ASN 75 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.42 1i85 n ASN 75 Cb 0.00 -0.30 -0.08 0.00 -0.61 0.00 0.00 39.78 38.79 1i85 n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i85 s GLN 76 N 0.00 0.77 -0.05 3.52 -2.07 -1.26 0.22 119.66 120.80 1i85 s GLN 76 Ca 0.00 -0.34 0.03 0.00 -1.82 0.00 0.00 55.36 53.23 1i85 s GLN 76 Cb 0.00 0.34 0.00 0.00 -1.09 0.00 0.00 33.01 32.26 1i85 s GLN 76 CO 0.00 -0.24 -0.14 0.14 -1.32 0.00 0.00 175.29 173.73 1i85 s VAL 77 N -2.01 1.20 -0.18 3.63 -7.23 -0.34 -2.61 120.40 112.86 1i85 s VAL 77 Ca -0.09 -0.56 -0.23 0.00 -1.81 0.00 0.00 61.98 59.29 1i85 s VAL 77 Cb -0.03 -1.06 -0.02 0.00 0.56 0.00 0.00 36.38 35.84 1i85 s VAL 77 CO 0.00 0.36 0.74 0.20 -0.31 0.00 0.00 175.10 176.09 1i85 s ASN 78 N 0.30 6.83 0.26 4.85 -0.87 0.11 -2.53 114.94 123.88 1i85 s ASN 78 Ca -0.08 1.02 0.06 0.00 -1.57 0.00 0.00 52.86 52.30 1i85 s ASN 78 Cb -0.12 -2.41 -0.03 0.00 -0.02 0.00 0.00 41.25 38.67 1i85 s ASN 78 CO 0.02 -0.34 0.26 -0.76 -2.57 0.00 0.00 177.10 173.71 1i85 s LEU 79 N 2.04 3.94 -0.32 0.60 1.43 -0.04 -1.08 118.68 125.26 1i85 s LEU 79 Ca 0.34 -0.18 0.04 0.00 -1.03 0.00 0.00 54.13 53.30 1i85 s LEU 79 Cb -0.16 -2.50 0.17 0.00 0.03 0.00 0.00 46.19 43.73 1i85 s LEU 79 CO 0.11 -0.09 0.47 -0.89 0.23 0.00 0.00 176.35 176.19 1i85 s THR 80 N -2.11 -0.72 0.18 5.49 2.01 -1.19 -2.51 115.64 116.79 1i85 s THR 80 Ca 0.34 -0.29 -0.26 0.00 0.31 0.00 0.00 61.69 61.79 1i85 s THR 80 Cb -0.08 -0.81 -0.08 0.00 0.01 0.00 0.00 72.50 71.54 1i85 s THR 80 CO 0.26 -0.23 0.81 -0.63 -0.69 0.00 0.00 174.62 174.15 1i85 s ILE 81 N 2.35 4.31 0.51 1.82 1.01 -0.20 -2.14 121.20 128.86 1i85 s ILE 81 Ca 0.12 1.78 0.03 0.00 0.00 0.00 0.00 60.65 62.57 1i85 s ILE 81 Cb -0.11 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.19 1i85 s ILE 81 CO -0.22 0.51 0.16 -1.10 0.00 0.00 0.00 174.94 174.29 1i85 s GLN 82 N -1.17 2.21 -1.33 2.79 -0.21 0.13 -1.93 119.66 120.15 1i85 s GLN 82 Ca 0.37 -2.22 -0.14 0.00 0.02 0.00 0.00 55.36 53.39 1i85 s GLN 82 Cb -0.24 -1.77 0.13 0.00 1.00 0.00 0.00 33.01 32.14 1i85 s GLN 82 CO 0.27 -0.43 0.49 0.41 -2.12 0.00 0.00 175.29 173.91 1i85 n GLY 83 N -1.44 -0.45 3.70 3.09 0.00 -0.40 -4.87 105.19 104.82 1i85 n GLY 83 Ca -0.11 0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 1i85 n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i85 s LEU 84 N -6.61 2.01 0.00 0.99 1.43 0.16 -4.91 118.68 111.75 1i85 s LEU 84 Ca 0.54 1.38 0.02 0.00 -1.03 0.00 0.00 54.13 55.04 1i85 s LEU 84 Cb -0.30 -3.71 -0.01 0.00 0.03 0.00 0.00 46.19 42.20 1i85 s LEU 84 CO 0.66 -2.82 0.07 0.54 0.23 0.00 0.00 176.35 175.03 1i85 n ARG 85 N -3.99 0.13 -0.10 1.70 1.74 -1.26 -4.22 116.66 110.66 1i85 n ARG 85 Ca 0.06 -0.79 -0.08 0.00 -0.77 0.00 0.00 57.85 56.28 1i85 n ARG 85 Cb 0.56 0.64 0.00 0.00 -1.02 0.00 0.00 32.46 32.64 1i85 n ARG 85 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1i85 h ALA 86 N 1.25 0.43 0.00 7.54 0.00 -1.90 -3.05 119.26 123.52 1i85 h ALA 86 Ca -0.06 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1i85 h ALA 86 Cb 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1i85 h ALA 86 CO 0.08 -0.16 -0.36 0.00 0.00 0.00 0.00 179.25 178.81 1i85 h MET 87 N 0.40 0.00 -0.37 0.00 -0.00 -1.96 -2.99 114.93 110.01 1i85 h MET 87 Ca 0.14 0.00 0.07 0.00 -0.00 0.00 0.00 59.70 59.91 1i85 h MET 87 Cb 0.02 0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 31.55 1i85 h MET 87 CO -0.07 0.36 -0.09 -0.44 -0.00 0.00 0.00 176.91 176.67 1i85 h ASP 88 N 0.00 -0.33 -0.06 -0.10 3.45 -1.93 -3.44 116.42 114.01 1i85 h ASP 88 Ca -0.00 0.11 -0.12 0.00 0.43 0.00 0.00 57.03 57.45 1i85 h ASP 88 Cb 0.87 0.23 -0.00 0.00 -0.56 0.00 0.00 39.33 39.86 1i85 h ASP 88 CO 0.05 -0.12 0.15 0.41 -1.57 0.00 0.00 179.24 178.16 1i85 n THR 89 N -5.28 0.00 -4.00 0.35 -1.04 -1.23 -4.84 114.28 98.23 1i85 n THR 89 Ca 0.02 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.05 1i85 n THR 89 Cb 0.20 -0.07 0.01 0.00 -1.82 0.00 0.00 70.33 68.66 1i85 n THR 89 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1i85 n GLY 90 N 0.87 0.23 3.54 3.41 0.00 -1.12 -4.94 105.19 107.18 1i85 n GLY 90 Ca 0.06 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 1i85 n GLY 90 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1i85 s LEU 91 N 0.00 3.46 -0.69 0.99 2.96 -1.25 -2.37 118.68 121.79 1i85 s LEU 91 Ca 0.29 -0.87 -0.24 0.00 -0.22 0.00 0.00 54.13 53.09 1i85 s LEU 91 Cb -0.01 -2.54 0.06 0.00 0.50 0.00 0.00 46.19 44.20 1i85 s LEU 91 CO -0.00 -1.67 1.06 -0.31 -1.32 0.00 0.00 176.35 174.11 1i85 s TYR 92 N 5.22 2.55 0.14 5.38 1.51 -0.96 -1.29 117.35 129.91 1i85 s TYR 92 Ca 0.37 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.73 1i85 s TYR 92 Cb -0.06 -4.40 -0.07 0.00 -0.11 0.00 0.00 41.96 37.32 1i85 s TYR 92 CO 0.06 -1.78 1.07 0.42 -1.11 0.00 0.00 175.55 174.21 1i85 s ILE 93 N 4.57 4.07 -0.64 2.71 1.01 -1.19 -2.68 121.20 129.06 1i85 s ILE 93 Ca 0.26 1.72 -0.06 0.00 0.00 0.00 0.00 60.65 62.57 1i85 s ILE 93 Cb -0.14 -4.10 0.17 0.00 0.01 0.00 0.00 42.46 38.39 1i85 s ILE 93 CO 0.11 0.27 0.49 0.00 0.00 0.00 0.00 174.94 175.81 1i85 s LYS 95 N 0.26 4.54 -0.08 0.00 2.20 -0.38 -3.46 119.74 122.82 1i85 s LYS 95 Ca 0.15 1.31 0.00 0.00 -0.36 0.00 0.00 55.97 57.07 1i85 s LYS 95 Cb -0.19 -2.72 0.02 0.00 -1.51 0.00 0.00 37.83 33.43 1i85 s LYS 95 CO -0.04 0.24 -0.05 0.08 -0.36 0.00 0.00 175.35 175.21 1i85 s VAL 96 N -1.68 0.74 0.06 4.02 1.01 0.39 -1.97 120.40 122.97 1i85 s VAL 96 Ca 0.52 -0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.40 1i85 s VAL 96 Cb -0.18 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1i85 s VAL 96 CO 0.23 0.30 -0.11 -1.61 0.00 0.00 0.00 175.10 173.90 1i85 s GLU 97 N 1.41 2.23 -0.63 2.72 2.02 -1.09 -0.64 118.70 124.71 1i85 s GLU 97 Ca -0.02 -0.93 0.05 0.00 0.02 0.00 0.00 54.97 54.08 1i85 s GLU 97 Cb -0.13 -2.33 0.15 0.00 0.10 0.00 0.00 34.13 31.92 1i85 s GLU 97 CO -0.03 0.54 0.40 -1.17 0.02 0.00 0.00 175.26 175.02 1i85 s LEU 98 N -1.81 4.60 0.00 1.80 2.96 -0.75 -2.01 118.68 123.46 1i85 s LEU 98 Ca 0.19 -3.53 0.00 0.00 -0.22 0.00 0.00 54.13 50.57 1i85 s LEU 98 Cb -0.11 -1.63 0.00 0.00 0.50 0.00 0.00 46.19 44.95 1i85 s LEU 98 CO 0.10 -0.14 0.00 0.23 -1.32 0.00 0.00 176.35 175.22 1i85 n MET 99 N 2.41 1.86 -1.44 1.98 2.81 -0.92 -3.66 117.12 120.17 1i85 n MET 99 Ca 0.14 0.00 -0.45 0.00 -1.81 0.00 0.00 57.70 55.58 1i85 n MET 99 Cb 0.34 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.83 1i85 n MET 99 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 1i85 n TYR 100 N -0.23 -0.26 -2.19 2.03 9.36 -1.26 -4.54 117.16 120.07 1i85 n TYR 100 Ca 0.00 0.81 -0.28 0.00 3.32 0.00 0.00 57.90 61.75 1i85 n TYR 100 Cb 0.00 -2.01 0.04 0.00 -0.63 0.00 0.00 39.34 36.74 1i85 n TYR 100 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1i85 s PRO 101 N -1.22 2.85 0.80 2.98 0.04 -1.26 -1.87 135.00 137.31 1i85 s PRO 101 Ca 0.62 0.16 -0.13 0.00 0.04 0.00 0.00 61.00 61.68 1i85 s PRO 101 Cb -0.79 -2.17 0.08 0.00 0.04 0.00 0.00 34.50 31.66 1i85 s PRO 101 CO 0.58 -0.86 1.21 -2.14 0.04 0.00 0.00 177.00 175.83 1i85 s PRO 102 N -5.15 1.65 0.59 0.56 0.02 -1.26 -4.67 135.00 126.74 1i85 s PRO 102 Ca 0.56 1.76 -0.06 0.00 0.02 0.00 0.00 61.00 63.29 1i85 s PRO 102 Cb -0.11 -1.78 0.01 0.00 0.02 0.00 0.00 34.50 32.64 1i85 s PRO 102 CO 0.48 -2.20 0.90 -1.25 -0.33 0.00 0.00 177.00 174.59 1i85 s PRO 103 N -4.12 2.93 0.00 5.54 0.04 -1.26 -5.17 135.00 132.96 1i85 s PRO 103 Ca 0.73 -0.00 0.00 0.00 0.04 0.00 0.00 61.00 61.77 1i85 s PRO 103 Cb -0.29 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 31.98 1i85 s PRO 103 CO 0.50 -0.69 0.00 0.98 0.04 0.00 0.00 177.00 177.83 1i85 n TYR 104 N -2.57 -2.47 0.00 0.56 9.36 -1.26 -4.88 117.16 115.89 1i85 n TYR 104 Ca 0.04 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.26 1i85 n TYR 104 Cb 0.57 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.28 1i85 n TYR 104 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1i85 n TYR 105 N -2.38 0.00 -3.64 2.98 0.53 -1.24 -4.92 117.16 108.50 1i85 n TYR 105 Ca 0.00 0.00 -0.38 0.00 -1.02 0.00 0.00 57.90 56.50 1i85 n TYR 105 Cb 0.00 0.00 -0.11 0.00 -1.03 0.00 0.00 39.34 38.20 1i85 n TYR 105 CO 0.00 0.00 0.00 -1.17 -1.02 0.00 0.00 176.86 174.67 1i85 s LEU 106 N 0.00 3.94 0.00 7.72 2.96 -1.26 -1.81 118.68 130.23 1i85 s LEU 106 Ca 0.00 -0.19 0.07 0.00 -0.22 0.00 0.00 54.13 53.79 1i85 s LEU 106 Cb 0.00 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.62 1i85 s LEU 106 CO 0.00 -0.09 -0.22 -0.83 -1.32 0.00 0.00 176.35 173.89 1i85 s GLY 107 N 1.69 1.12 0.02 7.98 0.00 0.18 -4.68 107.32 113.65 1i85 s GLY 107 Ca 0.06 -1.01 0.03 0.00 0.00 0.00 0.00 44.72 43.80 1i85 s GLY 107 CO 0.08 -0.88 -0.09 -0.42 0.00 0.00 0.00 173.10 171.79 1i85 s ILE 108 N -0.62 0.71 0.56 0.90 1.01 -1.26 -0.46 121.20 122.05 1i85 s ILE 108 Ca 0.09 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 59.99 1i85 s ILE 108 Cb -0.09 -0.67 0.04 0.00 0.01 0.00 0.00 42.46 41.75 1i85 s ILE 108 CO 0.00 -0.07 0.79 -0.83 0.00 0.00 0.00 174.94 174.83 1i85 s GLY 109 N -0.92 1.82 0.00 6.18 0.00 -1.22 -4.23 107.32 108.95 1i85 s GLY 109 Ca -0.02 -1.33 0.16 0.00 0.00 0.00 0.00 44.72 43.53 1i85 s GLY 109 CO 0.00 -1.04 1.42 0.70 0.00 0.00 0.00 173.10 174.18 1i85 n ASN 110 N -2.37 1.58 -0.29 1.64 4.13 -1.26 -4.67 115.26 114.01 1i85 n ASN 110 Ca 0.08 -1.82 0.00 0.00 1.68 0.00 0.00 54.58 54.52 1i85 n ASN 110 Cb 0.60 -0.15 0.00 0.00 -1.54 0.00 0.00 39.78 38.69 1i85 n ASN 110 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1i85 n GLY 111 N 1.05 -3.48 3.76 7.41 0.00 -1.26 -4.92 105.19 107.75 1i85 n GLY 111 Ca 0.14 -0.96 -0.39 0.00 0.00 0.00 0.00 46.02 44.81 1i85 n GLY 111 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1i85 s THR 112 N -1.55 4.84 -0.43 2.61 -1.32 -1.09 -4.84 115.64 113.86 1i85 s THR 112 Ca 0.00 1.34 -0.25 0.00 -1.21 0.00 0.00 61.69 61.58 1i85 s THR 112 Cb 0.00 -3.98 0.02 0.00 -1.51 0.00 0.00 72.50 67.04 1i85 s THR 112 CO 0.00 0.42 0.87 -1.58 -2.21 0.00 0.00 174.62 172.11 1i85 s GLN 113 N -0.23 3.58 -0.54 7.08 2.00 -1.20 -2.26 119.66 128.08 1i85 s GLN 113 Ca 0.33 0.17 -0.15 0.00 -2.00 0.00 0.00 55.36 53.71 1i85 s GLN 113 Cb -0.19 -3.89 0.13 0.00 0.80 0.00 0.00 33.01 29.86 1i85 s GLN 113 CO 0.19 -1.10 0.49 0.42 -0.50 0.00 0.00 175.29 174.79 1i85 s ILE 114 N 3.49 5.12 -0.30 -2.34 1.01 -1.00 -0.10 121.20 127.09 1i85 s ILE 114 Ca 0.34 -1.57 -0.28 0.00 0.00 0.00 0.00 60.65 59.15 1i85 s ILE 114 Cb -0.11 -4.29 0.01 0.00 0.01 0.00 0.00 42.46 38.08 1i85 s ILE 114 CO 0.23 -0.87 1.00 -0.31 0.00 0.00 0.00 174.94 175.00 1i85 s TYR 115 N 1.52 3.20 0.00 3.97 1.51 0.15 -2.81 117.35 124.90 1i85 s TYR 115 Ca 0.04 1.17 0.00 0.00 -1.01 0.00 0.00 57.07 57.27 1i85 s TYR 115 Cb -0.29 -3.50 0.00 0.00 -0.11 0.00 0.00 41.96 38.06 1i85 s TYR 115 CO 0.02 -0.66 0.00 0.28 -1.11 0.00 0.00 175.55 174.08 1i85 n VAL 116 N 5.68 0.00 -0.85 0.71 0.31 -1.26 -2.89 118.33 120.03 1i85 n VAL 116 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1i85 n VAL 116 Cb 0.47 -0.05 0.00 0.00 -0.91 0.00 0.00 33.84 33.35 1i85 n VAL 116 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1i85 n ILE 117 N -1.35 0.00 0.00 2.52 5.41 -1.13 -4.18 119.36 120.63 1i85 n ILE 117 Ca 0.00 -0.42 0.00 0.00 1.00 0.00 0.00 62.75 63.33 1i85 n ILE 117 Cb 0.15 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.08 1i85 n ILE 117 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1i85 n ASP 118 N 2.97 0.00 -3.82 4.38 5.75 -1.26 -4.90 116.55 119.66 1i85 n ASP 118 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 54.79 54.48 1i85 n ASP 118 Cb 0.21 0.00 0.23 0.00 -1.03 0.00 0.00 41.12 40.53 1i85 n ASP 118 CO 0.00 0.00 0.00 -2.84 -0.11 0.00 0.00 177.20 174.25 1i85 s PRO 119 N 0.00 -0.84 0.00 0.11 0.02 -1.26 -4.88 135.00 128.14 1i85 s PRO 119 Ca 0.00 -0.22 0.03 0.00 0.02 0.00 0.00 61.00 60.83 1i85 s PRO 119 Cb 0.00 -1.65 0.18 0.00 0.02 0.00 0.00 34.50 33.04 1i85 s PRO 119 CO 0.00 -3.43 0.66 -0.85 -0.33 0.00 0.00 177.00 173.05