#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i8t s PHE 3 N 0.00 2.89 0.41 1.12 5.36 -1.26 -4.55 117.98 121.95 2i8t s PHE 3 Ca 0.00 0.15 -0.24 0.00 -0.96 0.00 0.00 56.93 55.88 2i8t s PHE 3 Cb 0.00 -3.94 -0.09 0.00 -0.34 0.00 0.00 43.02 38.65 2i8t s PHE 3 CO 0.00 -1.18 1.07 -0.51 -1.46 0.00 0.00 175.22 173.14 2i8t s LEU 4 N 3.71 4.11 0.84 6.12 1.43 -1.26 -5.02 118.68 128.61 2i8t s LEU 4 Ca 0.32 2.09 -0.11 0.00 -1.03 0.00 0.00 54.13 55.40 2i8t s LEU 4 Cb -0.12 -4.21 0.10 0.00 0.03 0.00 0.00 46.19 42.00 2i8t s LEU 4 CO 0.22 -0.58 1.15 0.00 0.23 0.00 0.00 176.35 177.37 2i8t s ARG 5 N -2.56 1.53 0.25 1.70 1.70 -1.26 -4.69 118.95 115.62 2i8t s ARG 5 Ca 0.59 1.53 -0.04 0.00 -0.47 0.00 0.00 55.73 57.34 2i8t s ARG 5 Cb -0.23 -1.79 0.36 0.00 -0.57 0.00 0.00 34.95 32.72 2i8t s ARG 5 CO 0.29 -2.25 1.86 -0.56 -1.08 0.00 0.00 175.30 173.56 2i8t h GLN 6 N -1.34 0.99 -0.39 3.89 -0.00 -1.99 -1.16 115.11 115.11 2i8t h GLN 6 Ca -0.44 -0.06 0.01 0.00 -0.00 0.00 0.00 58.65 58.16 2i8t h GLN 6 Cb 1.27 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.48 28.50 2i8t h GLN 6 CO 0.45 0.66 0.25 0.93 -0.00 0.00 0.00 178.83 181.12 2i8t h GLU 7 N 1.02 0.49 -0.01 0.06 3.07 -2.00 -0.63 114.58 116.58 2i8t h GLU 7 Ca 0.39 -0.03 -0.16 0.00 -0.50 0.00 0.00 59.36 59.06 2i8t h GLU 7 Cb 0.18 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.96 2i8t h GLU 7 CO -0.18 0.32 -0.74 -0.44 -1.40 0.00 0.00 179.01 176.58 2i8t h ASP 8 N 0.50 0.11 -0.61 1.42 3.32 -1.79 -1.69 116.42 117.69 2i8t h ASP 8 Ca 0.15 -0.08 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 2i8t h ASP 8 Cb -0.03 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 2i8t h ASP 8 CO -0.05 0.81 0.01 0.15 -1.72 0.00 0.00 179.24 178.44 2i8t h PHE 9 N 0.06 1.17 -0.16 4.55 3.57 -1.00 -0.06 116.94 125.07 2i8t h PHE 9 Ca -0.02 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.29 2i8t h PHE 9 Cb 1.31 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 2i8t h PHE 9 CO 0.01 1.02 0.10 0.00 -2.23 0.00 0.00 178.31 177.21 2i8t h ALA 10 N 1.01 0.20 -0.71 2.41 0.00 -0.89 0.18 119.26 121.46 2i8t h ALA 10 Ca 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2i8t h ALA 10 Cb 0.55 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2i8t h ALA 10 CO 0.03 -0.32 0.39 1.15 0.00 0.00 0.00 179.25 180.50 2i8t h THR 11 N 0.21 1.22 0.13 0.00 2.02 -1.14 -0.75 112.91 114.59 2i8t h THR 11 Ca 0.06 -0.54 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 2i8t h THR 11 Cb -0.02 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 66.67 2i8t h THR 11 CO -0.02 0.24 -0.07 0.58 0.37 0.00 0.00 175.52 176.61 2i8t h VAL 12 N 0.98 0.84 -0.87 3.16 2.07 -0.71 -1.72 116.25 120.00 2i8t h VAL 12 Ca 0.25 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.76 2i8t h VAL 12 Cb 0.03 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 2i8t h VAL 12 CO -0.04 0.00 0.50 0.58 0.02 0.00 0.00 177.57 178.63 2i8t h VAL 13 N -0.19 1.25 -0.17 2.57 2.07 -0.74 -1.17 116.25 119.86 2i8t h VAL 13 Ca -0.01 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 2i8t h VAL 13 Cb 0.16 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 2i8t h VAL 13 CO 0.02 0.27 0.02 0.03 0.02 0.00 0.00 177.57 177.93 2i8t h ARG 14 N 1.21 0.24 0.00 1.57 3.08 -1.00 -3.35 114.38 116.12 2i8t h ARG 14 Ca 0.31 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.33 2i8t h ARG 14 Cb -0.01 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.00 2i8t h ARG 14 CO -0.05 0.24 -1.23 0.43 -1.07 0.00 0.00 179.97 178.30 2i8t n SER 15 N -4.41 1.17 -3.44 7.04 7.64 -0.66 -4.97 113.62 115.98 2i8t n SER 15 Ca -0.00 -0.39 -0.13 0.00 1.01 0.00 0.00 58.87 59.36 2i8t n SER 15 Cb 0.15 1.37 -0.03 0.00 -1.01 0.00 0.00 64.21 64.70 2i8t n SER 15 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2i8t s THR 16 N -2.73 0.00 0.39 0.44 -1.32 -0.53 -5.07 115.64 106.82 2i8t s THR 16 Ca -0.00 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.21 2i8t s THR 16 Cb 0.10 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 70.00 2i8t s THR 16 CO 0.61 0.00 1.27 -2.16 -2.21 0.00 0.00 174.62 172.13 2i8t s PRO 17 N -3.27 4.06 0.57 7.08 0.04 -1.26 -4.60 135.00 137.61 2i8t s PRO 17 Ca -0.01 2.08 -0.11 0.00 0.04 0.00 0.00 61.00 63.00 2i8t s PRO 17 Cb -0.01 -2.79 -0.05 0.00 0.04 0.00 0.00 34.50 31.69 2i8t s PRO 17 CO -0.09 -0.39 0.98 -0.51 0.04 0.00 0.00 177.00 177.03 2i8t s LEU 18 N -2.33 3.38 -0.12 -3.56 1.43 0.65 -4.91 118.68 113.23 2i8t s LEU 18 Ca 0.55 1.37 0.03 0.00 -1.03 0.00 0.00 54.13 55.06 2i8t s LEU 18 Cb -0.36 -4.38 -0.00 0.00 0.03 0.00 0.00 46.19 41.47 2i8t s LEU 18 CO 0.47 -0.76 -0.21 -0.69 0.23 0.00 0.00 176.35 175.40 2i8t s VAL 19 N -2.98 2.32 0.16 -1.59 1.01 -1.26 -0.78 120.40 117.29 2i8t s VAL 19 Ca 0.55 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.63 2i8t s VAL 19 Cb -0.11 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 2i8t s VAL 19 CO 0.47 0.55 -0.01 -0.94 0.00 0.00 0.00 175.10 175.17 2i8t s SER 20 N 0.44 1.22 -0.14 3.32 1.04 -0.43 -0.06 113.70 119.08 2i8t s SER 20 Ca -0.15 -1.14 -0.01 0.00 0.48 0.00 0.00 55.95 55.13 2i8t s SER 20 Cb -0.17 0.11 -0.01 0.00 0.10 0.00 0.00 66.02 66.05 2i8t s SER 20 CO 0.06 -0.54 -0.11 -0.76 0.98 0.00 0.00 173.24 172.87 2i8t s LEU 21 N -3.15 2.79 -0.05 2.42 1.43 -0.22 -0.53 118.68 121.36 2i8t s LEU 21 Ca 0.22 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 2i8t s LEU 21 Cb 0.06 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 2i8t s LEU 21 CO 0.02 0.14 -0.10 -1.81 0.23 0.00 0.00 176.35 174.84 2i8t s ASP 22 N 0.50 4.38 -0.20 2.29 1.11 -0.55 -1.36 116.67 122.83 2i8t s ASP 22 Ca -0.08 -0.12 -0.03 0.00 0.18 0.00 0.00 52.55 52.50 2i8t s ASP 22 Cb -0.15 -1.01 -0.01 0.00 1.07 0.00 0.00 42.92 42.81 2i8t s ASP 22 CO 0.04 0.34 -0.06 -0.36 1.18 0.00 0.00 175.17 176.31 2i8t s PHE 23 N -0.81 2.94 -0.60 4.23 0.08 0.11 -1.17 117.98 122.75 2i8t s PHE 23 Ca 0.13 -0.90 -0.16 0.00 0.12 0.00 0.00 56.93 56.12 2i8t s PHE 23 Cb -0.11 -2.06 0.14 0.00 -0.57 0.00 0.00 43.02 40.43 2i8t s PHE 23 CO 0.02 -0.49 0.58 0.42 -0.10 0.00 0.00 175.22 175.65 2i8t s ILE 24 N 1.27 5.23 -0.25 0.64 1.09 0.48 -4.05 121.20 125.61 2i8t s ILE 24 Ca 0.03 -1.61 -0.07 0.00 -1.10 0.00 0.00 60.65 57.90 2i8t s ILE 24 Cb -0.14 -4.38 -0.02 0.00 -1.06 0.00 0.00 42.46 36.85 2i8t s ILE 24 CO -0.02 -0.93 0.06 -0.69 -0.10 0.00 0.00 174.94 173.26 2i8t s VAL 25 N 1.49 4.20 0.00 2.92 1.01 -1.26 -1.67 120.40 127.09 2i8t s VAL 25 Ca 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 2i8t s VAL 25 Cb -0.26 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 2i8t s VAL 25 CO 0.01 0.32 0.11 -0.70 0.00 0.00 0.00 175.10 174.84 2i8t s GLU 26 N 1.59 3.17 0.00 2.72 2.12 -0.14 -1.20 118.70 126.96 2i8t s GLU 26 Ca 0.06 -0.45 0.00 0.00 0.36 0.00 0.00 54.97 54.94 2i8t s GLU 26 Cb -0.15 -2.92 0.00 0.00 0.26 0.00 0.00 34.13 31.32 2i8t s GLU 26 CO 0.03 0.65 0.00 0.27 -0.54 0.00 0.00 175.26 175.67 2i8t n ASN 27 N 1.03 0.02 -0.09 -1.70 0.23 -0.49 -1.00 115.26 113.27 2i8t n ASN 27 Ca -0.12 -0.18 0.15 0.00 -0.53 0.00 0.00 54.58 53.90 2i8t n ASN 27 Cb 0.52 0.00 0.73 0.00 -2.08 0.00 0.00 39.78 38.96 2i8t n ASN 27 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2i8t n SER 28 N -0.53 0.33 -0.58 0.53 7.64 -1.26 -3.92 113.62 115.82 2i8t n SER 28 Ca 0.00 -0.69 0.07 0.00 1.01 0.00 0.00 58.87 59.25 2i8t n SER 28 Cb 0.00 -0.09 0.17 0.00 -1.01 0.00 0.00 64.21 63.28 2i8t n SER 28 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2i8t n ARG 29 N -0.93 2.70 -1.91 1.43 1.74 -1.26 -4.97 116.66 113.46 2i8t n ARG 29 Ca 0.18 -2.37 -0.11 0.00 -0.77 0.00 0.00 57.85 54.78 2i8t n ARG 29 Cb 0.23 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.15 2i8t n ARG 29 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2i8t n GLY 30 N -0.28 0.36 3.60 -0.13 0.00 -1.25 -5.02 105.19 102.47 2i8t n GLY 30 Ca 0.15 -0.45 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 2i8t n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2i8t s GLU 31 N -4.01 2.15 0.03 1.61 2.02 -1.26 -4.60 118.70 114.63 2i8t s GLU 31 Ca 0.00 -1.46 0.07 0.00 0.02 0.00 0.00 54.97 53.59 2i8t s GLU 31 Cb 0.00 -2.09 -0.02 0.00 0.10 0.00 0.00 34.13 32.12 2i8t s GLU 31 CO 0.00 0.37 -0.20 -0.06 0.02 0.00 0.00 175.26 175.38 2i8t s PHE 32 N -2.28 1.78 -0.12 1.61 0.08 0.36 -1.39 117.98 118.02 2i8t s PHE 32 Ca 0.30 -0.36 -0.29 0.00 0.12 0.00 0.00 56.93 56.70 2i8t s PHE 32 Cb -0.06 -1.08 -0.01 0.00 -0.57 0.00 0.00 43.02 41.29 2i8t s PHE 32 CO 0.18 0.06 0.99 -1.17 -0.10 0.00 0.00 175.22 175.19 2i8t s LEU 33 N -1.00 4.23 0.02 -0.37 2.96 -0.34 -0.64 118.68 123.54 2i8t s LEU 33 Ca 0.07 1.49 0.04 0.00 -0.22 0.00 0.00 54.13 55.51 2i8t s LEU 33 Cb -0.08 -3.52 -0.02 0.00 0.50 0.00 0.00 46.19 43.07 2i8t s LEU 33 CO 0.01 -0.46 -0.13 -0.76 -1.32 0.00 0.00 176.35 173.69 2i8t s LEU 34 N 2.11 2.11 0.09 -0.68 1.02 -0.19 -4.36 118.68 118.77 2i8t s LEU 34 Ca 0.47 -0.36 0.09 0.00 0.02 0.00 0.00 54.13 54.35 2i8t s LEU 34 Cb -0.18 -0.60 -0.04 0.00 0.02 0.00 0.00 46.19 45.39 2i8t s LEU 34 CO 0.16 0.08 -0.20 -0.83 0.02 0.00 0.00 176.35 175.59 2i8t s GLY 35 N -0.78 1.62 -0.42 -3.19 0.00 -0.30 -1.15 107.32 103.11 2i8t s GLY 35 Ca 0.03 -1.31 -0.23 0.00 0.00 0.00 0.00 44.72 43.21 2i8t s GLY 35 CO 0.00 -1.25 0.77 1.25 0.00 0.00 0.00 173.10 173.87 2i8t s LYS 36 N -1.84 3.51 0.25 2.90 2.20 -0.37 -0.96 119.74 125.43 2i8t s LYS 36 Ca 0.16 0.00 -0.30 0.00 -0.36 0.00 0.00 55.97 55.47 2i8t s LYS 36 Cb -0.10 -3.90 -0.10 0.00 -1.51 0.00 0.00 37.83 32.22 2i8t s LYS 36 CO 0.07 -1.02 1.38 1.03 -0.36 0.00 0.00 175.35 176.45 2i8t s ARG 37 N 3.18 4.32 0.00 4.03 0.52 -0.36 -1.58 118.95 129.07 2i8t s ARG 37 Ca 0.30 2.21 0.20 0.00 -0.52 0.00 0.00 55.73 57.91 2i8t s ARG 37 Cb -0.13 -3.13 -0.16 0.00 0.52 0.00 0.00 34.95 32.06 2i8t s ARG 37 CO 0.21 -0.33 0.88 0.25 0.02 0.00 0.00 175.30 176.32 2i8t n THR 38 N 2.16 0.00 -4.23 0.02 -2.24 -0.40 -0.73 114.28 108.87 2i8t n THR 38 Ca 0.05 -0.10 -0.28 0.00 -2.27 0.00 0.00 64.05 61.45 2i8t n THR 38 Cb 0.41 1.06 -0.09 0.00 -2.10 0.00 0.00 70.33 69.61 2i8t n THR 38 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2i8t s ASN 39 N -2.70 4.47 0.54 3.42 0.01 -1.26 -4.88 114.94 114.54 2i8t s ASN 39 Ca 0.10 -0.43 -0.16 0.00 -0.71 0.00 0.00 52.86 51.66 2i8t s ASN 39 Cb 0.15 -0.86 -0.07 0.00 0.41 0.00 0.00 41.25 40.88 2i8t s ASN 39 CO 0.73 0.14 1.01 -0.13 -1.51 0.00 0.00 177.10 177.34 2i8t s ARG 40 N -2.53 3.74 0.93 -0.60 0.52 -1.26 -3.26 118.95 116.49 2i8t s ARG 40 Ca 0.24 1.05 -0.15 0.00 -0.52 0.00 0.00 55.73 56.35 2i8t s ARG 40 Cb -0.10 -2.10 0.16 0.00 0.52 0.00 0.00 34.95 33.43 2i8t s ARG 40 CO 0.15 -0.45 1.24 -1.25 0.02 0.00 0.00 175.30 175.02 2i8t s PRO 41 N -4.04 0.97 -1.61 3.54 0.04 -1.26 -3.97 135.00 128.66 2i8t s PRO 41 Ca 0.61 -0.15 -0.02 0.00 0.04 0.00 0.00 61.00 61.47 2i8t s PRO 41 Cb -0.12 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.57 2i8t s PRO 41 CO 0.33 -2.23 0.28 0.00 0.04 0.00 0.00 177.00 175.42 2i8t n ALA 42 N -3.70 -0.81 -1.88 8.56 0.00 -1.26 -4.94 120.51 116.48 2i8t n ALA 42 Ca 0.12 0.21 -0.41 0.00 0.00 0.00 0.00 53.44 53.36 2i8t n ALA 42 Cb 0.60 -2.89 -0.02 0.00 0.00 0.00 0.00 19.45 17.13 2i8t n ALA 42 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2i8t s GLN 43 N -5.37 4.33 0.00 0.00 0.74 -1.20 -2.60 119.66 115.55 2i8t s GLN 43 Ca 0.15 2.21 0.00 0.00 0.05 0.00 0.00 55.36 57.77 2i8t s GLN 43 Cb -0.07 -3.12 0.00 0.00 1.10 0.00 0.00 33.01 30.92 2i8t s GLN 43 CO 0.18 -0.30 0.00 0.41 -0.55 0.00 0.00 175.29 175.03 2i8t n GLY 44 N 1.81 1.11 3.92 2.59 0.00 0.10 -4.99 105.19 109.73 2i8t n GLY 44 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 2i8t n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2i8t s TYR 45 N -3.65 3.50 0.18 1.61 2.02 -1.07 -4.79 117.35 115.14 2i8t s TYR 45 Ca 0.00 0.20 -0.30 0.00 -0.37 0.00 0.00 57.07 56.60 2i8t s TYR 45 Cb 0.00 -1.72 -0.08 0.00 -0.40 0.00 0.00 41.96 39.76 2i8t s TYR 45 CO 0.00 0.56 1.20 -1.58 -1.57 0.00 0.00 175.55 174.16 2i8t s TRP 46 N -1.58 3.43 0.01 2.71 0.52 0.06 -1.22 118.94 122.86 2i8t s TRP 46 Ca 0.35 1.42 -0.16 0.00 0.02 0.00 0.00 56.10 57.73 2i8t s TRP 46 Cb -0.12 -3.43 0.03 0.00 -1.15 0.00 0.00 33.47 28.80 2i8t s TRP 46 CO 0.28 -1.19 0.33 0.12 0.02 0.00 0.00 176.95 176.51 2i8t s PHE 47 N -0.01 -0.18 0.67 -1.98 5.36 -0.13 -1.79 117.98 119.91 2i8t s PHE 47 Ca 0.53 0.20 -0.16 0.00 -0.96 0.00 0.00 56.93 56.54 2i8t s PHE 47 Cb -0.32 0.12 0.01 0.00 -0.34 0.00 0.00 43.02 42.49 2i8t s PHE 47 CO 0.36 -0.46 1.15 0.14 -1.46 0.00 0.00 175.22 174.96 2i8t s VAL 48 N -1.85 2.84 0.53 3.12 -7.23 -1.26 -1.15 120.40 115.40 2i8t s VAL 48 Ca -0.10 0.41 -0.20 0.00 -1.81 0.00 0.00 61.98 60.29 2i8t s VAL 48 Cb -0.03 -2.97 -0.06 0.00 0.56 0.00 0.00 36.38 33.88 2i8t s VAL 48 CO 0.01 -0.22 1.14 -2.84 -0.31 0.00 0.00 175.10 172.89 2i8t s PRO 49 N -3.92 3.40 0.00 4.82 0.02 -1.26 -4.85 135.00 133.22 2i8t s PRO 49 Ca 0.71 1.66 0.00 0.00 0.02 0.00 0.00 61.00 63.39 2i8t s PRO 49 Cb -0.25 -2.07 0.00 0.00 0.02 0.00 0.00 34.50 32.20 2i8t s PRO 49 CO 0.41 -0.82 0.00 0.41 -0.33 0.00 0.00 177.00 176.67 2i8t n GLY 50 N 0.24 0.87 3.75 0.52 0.00 -1.26 -0.71 105.19 108.60 2i8t n GLY 50 Ca 0.11 -0.95 -0.02 0.00 0.00 0.00 0.00 46.02 45.16 2i8t n GLY 50 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2i8t s GLY 51 N 0.00 -0.21 0.37 -0.02 0.00 -0.47 -4.98 107.32 102.01 2i8t s GLY 51 Ca 0.00 0.16 -0.12 0.00 0.00 0.00 0.00 44.72 44.75 2i8t s GLY 51 CO 0.00 0.54 0.75 1.09 0.00 0.00 0.00 173.10 175.48 2i8t s ARG 52 N -2.89 3.87 0.01 2.90 1.70 -1.26 -1.06 118.95 122.22 2i8t s ARG 52 Ca 0.15 0.55 -0.23 0.00 -0.47 0.00 0.00 55.73 55.73 2i8t s ARG 52 Cb -0.00 -2.41 -0.05 0.00 -0.57 0.00 0.00 34.95 31.92 2i8t s ARG 52 CO 0.02 0.05 0.69 0.08 -1.08 0.00 0.00 175.30 175.06 2i8t s VAL 53 N -2.20 4.84 0.51 4.99 1.01 0.92 -4.92 120.40 125.56 2i8t s VAL 53 Ca 0.52 1.46 -0.02 0.00 0.00 0.00 0.00 61.98 63.95 2i8t s VAL 53 Cb -0.10 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.24 2i8t s VAL 53 CO 0.25 0.37 0.77 -1.10 0.00 0.00 0.00 175.10 175.38 2i8t s GLN 54 N 0.03 2.98 0.21 2.72 -0.21 -1.26 -4.69 119.66 119.44 2i8t s GLN 54 Ca 0.36 -0.32 -0.32 0.00 0.02 0.00 0.00 55.36 55.09 2i8t s GLN 54 Cb -0.19 -2.44 -0.13 0.00 1.00 0.00 0.00 33.01 31.24 2i8t s GLN 54 CO 0.20 -0.46 1.58 1.17 -2.12 0.00 0.00 175.29 175.66 2i8t n LYS 55 N -2.29 2.36 -1.46 2.91 3.00 -1.26 -2.08 118.16 119.34 2i8t n LYS 55 Ca 0.03 0.85 -0.16 0.00 -0.00 0.00 0.00 58.31 59.03 2i8t n LYS 55 Cb 0.58 -2.61 -0.07 0.00 0.00 0.00 0.00 35.03 32.93 2i8t n LYS 55 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2i8t n ASP 56 N 3.08 -5.37 -4.72 3.14 8.00 -1.26 -4.31 116.55 115.12 2i8t n ASP 56 Ca 0.14 0.39 -0.36 0.00 0.71 0.00 0.00 54.79 55.67 2i8t n ASP 56 Cb 0.32 -4.27 -0.08 0.00 -0.02 0.00 0.00 41.12 37.07 2i8t n ASP 56 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2i8t s GLU 57 N -3.31 4.22 0.63 -1.24 2.12 -0.88 -5.08 118.70 115.16 2i8t s GLU 57 Ca 0.00 -0.01 -0.15 0.00 0.36 0.00 0.00 54.97 55.17 2i8t s GLU 57 Cb 0.00 -3.44 -0.02 0.00 0.26 0.00 0.00 34.13 30.93 2i8t s GLU 57 CO 0.00 0.22 1.08 0.95 -0.54 0.00 0.00 175.26 176.97 2i8t s THR 58 N 0.55 3.62 0.36 -1.70 -4.23 -1.26 -4.78 115.64 108.19 2i8t s THR 58 Ca 0.14 0.73 0.05 0.00 -1.18 0.00 0.00 61.69 61.42 2i8t s THR 58 Cb -0.13 -3.27 0.20 0.00 1.34 0.00 0.00 72.50 70.65 2i8t s THR 58 CO 0.03 -0.49 1.94 -0.07 -0.54 0.00 0.00 174.62 175.48 2i8t h LEU 59 N 0.12 0.52 -0.20 4.79 3.38 -1.98 0.46 115.31 122.40 2i8t h LEU 59 Ca -0.46 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.44 2i8t h LEU 59 Cb 1.23 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2i8t h LEU 59 CO 0.56 0.50 0.11 -0.33 0.09 0.00 0.00 178.44 179.37 2i8t h GLU 60 N 0.57 0.27 -0.52 1.13 3.07 -2.00 -0.42 114.58 116.68 2i8t h GLU 60 Ca 0.14 -0.03 -0.12 0.00 -0.50 0.00 0.00 59.36 58.85 2i8t h GLU 60 Cb 0.16 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 2i8t h GLU 60 CO -0.01 0.25 -0.14 0.00 -1.40 0.00 0.00 179.01 177.71 2i8t h ALA 61 N 1.01 0.72 -0.84 3.43 0.00 -1.83 -2.97 119.26 118.78 2i8t h ALA 61 Ca 0.07 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2i8t h ALA 61 Cb 0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2i8t h ALA 61 CO -0.01 0.65 0.46 0.00 0.00 0.00 0.00 179.25 180.34 2i8t h ALA 62 N 0.90 1.22 -0.62 0.00 0.00 -0.71 -0.99 119.26 119.07 2i8t h ALA 62 Ca 0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2i8t h ALA 62 Cb 0.71 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2i8t h ALA 62 CO 0.05 0.63 0.30 0.35 0.00 0.00 0.00 179.25 180.58 2i8t h PHE 63 N 1.17 0.90 -0.25 0.00 3.57 -0.97 0.15 116.94 121.51 2i8t h PHE 63 Ca 0.30 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.70 2i8t h PHE 63 Cb 0.03 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.48 2i8t h PHE 63 CO 0.01 0.68 -0.06 0.93 -2.23 0.00 0.00 178.31 177.64 2i8t h GLU 64 N 0.86 0.48 -0.50 1.11 5.08 -1.33 -0.91 114.58 119.37 2i8t h GLU 64 Ca 0.21 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2i8t h GLU 64 Cb 0.12 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2i8t h GLU 64 CO -0.03 0.71 0.28 -0.09 -1.00 0.00 0.00 179.01 178.88 2i8t h ARG 65 N 0.23 0.70 -0.11 2.33 2.43 -0.98 -2.51 114.38 116.46 2i8t h ARG 65 Ca 0.06 -0.08 -0.22 0.00 -0.81 0.00 0.00 59.98 58.94 2i8t h ARG 65 Cb 0.53 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 29.95 2i8t h ARG 65 CO 0.03 0.54 -0.80 -0.07 -1.51 0.00 0.00 179.97 178.15 2i8t h LEU 66 N 0.67 0.81 -0.68 3.80 3.38 -0.69 -0.31 115.31 122.29 2i8t h LEU 66 Ca 0.18 -0.55 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 2i8t h LEU 66 Cb 0.04 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2i8t h LEU 66 CO -0.03 1.33 0.30 0.71 0.09 0.00 0.00 178.44 180.85 2i8t h THR 67 N 0.45 1.24 -0.17 0.22 1.35 -1.17 0.11 112.91 114.93 2i8t h THR 67 Ca -0.06 -0.70 -0.01 0.00 -0.55 0.00 0.00 66.41 65.09 2i8t h THR 67 Cb 1.42 0.43 -0.01 0.00 -1.73 0.00 0.00 68.15 68.27 2i8t h THR 67 CO 0.16 0.29 0.08 -0.03 -0.25 0.00 0.00 175.52 175.76 2i8t h MET 68 N 0.96 0.25 -0.33 4.72 1.85 -1.34 0.92 114.93 121.96 2i8t h MET 68 Ca 0.23 -0.04 -0.10 0.00 -0.61 0.00 0.00 59.70 59.18 2i8t h MET 68 Cb 0.16 -0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.14 2i8t h MET 68 CO -0.02 0.31 -0.20 0.00 -0.40 0.00 0.00 176.91 176.60 2i8t h ALA 69 N 0.93 1.03 0.07 0.39 0.00 -0.87 -0.31 119.26 120.49 2i8t h ALA 69 Ca 0.06 -0.34 -0.32 0.00 0.00 0.00 0.00 54.91 54.30 2i8t h ALA 69 Cb 0.15 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2i8t h ALA 69 CO -0.01 0.58 -1.80 0.93 0.00 0.00 0.00 179.25 178.96 2i8t h GLU 70 N 0.56 0.15 0.00 0.00 4.39 -0.72 -3.41 114.58 115.55 2i8t h GLU 70 Ca 0.09 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.53 2i8t h GLU 70 Cb 0.65 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 2i8t h GLU 70 CO 0.05 0.90 -0.36 1.28 -1.16 0.00 0.00 179.01 179.71 2i8t n LEU 71 N -3.29 0.28 0.00 1.33 4.77 0.31 -4.45 117.00 115.94 2i8t n LEU 71 Ca -0.23 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 2i8t n LEU 71 Cb 1.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.14 2i8t n LEU 71 CO 0.45 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 2i8t n GLY 72 N 1.21 0.39 2.76 -0.72 0.00 -0.13 -1.36 105.19 107.34 2i8t n GLY 72 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 2i8t n GLY 72 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2i8t s LEU 73 N 0.00 0.55 -0.09 0.99 2.96 -1.23 -4.23 118.68 117.62 2i8t s LEU 73 Ca 0.00 -0.04 -0.30 0.00 -0.22 0.00 0.00 54.13 53.57 2i8t s LEU 73 Cb 0.00 -0.36 -0.02 0.00 0.50 0.00 0.00 46.19 46.32 2i8t s LEU 73 CO 0.00 -0.20 1.02 -0.60 -1.32 0.00 0.00 176.35 175.25 2i8t s ARG 74 N 1.92 4.43 0.05 1.98 3.52 -1.26 -2.99 118.95 126.60 2i8t s ARG 74 Ca 0.04 1.42 0.07 0.00 -0.13 0.00 0.00 55.73 57.12 2i8t s ARG 74 Cb -0.12 -3.53 -0.03 0.00 -1.56 0.00 0.00 34.95 29.71 2i8t s ARG 74 CO -0.04 -0.30 -0.19 -0.51 -0.81 0.00 0.00 175.30 173.45 2i8t s LEU 75 N 1.91 2.18 0.54 -0.88 1.43 -1.26 -4.96 118.68 117.64 2i8t s LEU 75 Ca 0.49 -0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 52.94 2i8t s LEU 75 Cb -0.19 -0.90 -0.06 0.00 0.03 0.00 0.00 46.19 45.07 2i8t s LEU 75 CO 0.19 0.13 0.97 -2.16 0.23 0.00 0.00 176.35 175.71 2i8t s PRO 76 N -1.22 3.79 0.58 1.29 0.04 -1.26 -3.81 135.00 134.41 2i8t s PRO 76 Ca 0.06 0.79 0.28 0.00 0.04 0.00 0.00 61.00 62.17 2i8t s PRO 76 Cb -0.09 -2.16 1.74 0.00 0.04 0.00 0.00 34.50 34.03 2i8t s PRO 76 CO 0.02 -0.34 2.22 0.97 0.04 0.00 0.00 177.00 179.91 2i8t h ILE 77 N 0.48 0.57 0.00 0.56 2.10 -1.91 -0.67 117.51 118.64 2i8t h ILE 77 Ca -0.46 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.48 2i8t h ILE 77 Cb 1.19 0.97 0.00 0.00 -1.09 0.00 0.00 36.82 37.89 2i8t h ILE 77 CO 0.62 0.00 0.00 0.71 -1.08 0.00 0.00 178.15 178.40 2i8t h THR 78 N 0.00 0.00 0.00 2.19 1.35 -1.98 -1.43 112.91 113.04 2i8t h THR 78 Ca 0.01 -0.16 -0.03 0.00 -0.55 0.00 0.00 66.41 65.68 2i8t h THR 78 Cb 0.08 1.01 -0.00 0.00 -1.73 0.00 0.00 68.15 67.51 2i8t h THR 78 CO -0.00 0.00 -0.16 0.00 -0.25 0.00 0.00 175.52 175.11 2i8t h ALA 79 N 2.04 0.95 -2.65 6.62 0.00 -1.49 -3.45 119.26 121.27 2i8t h ALA 79 Ca 0.00 -0.15 -0.59 0.00 0.00 0.00 0.00 54.91 54.18 2i8t h ALA 79 Cb 0.18 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2i8t h ALA 79 CO 0.00 0.20 -0.19 0.20 0.00 0.00 0.00 179.25 179.46 2i8t s GLY 80 N -4.27 2.41 -0.31 0.00 0.00 -0.54 -4.70 107.32 99.91 2i8t s GLY 80 Ca 0.03 -0.27 -0.12 0.00 0.00 0.00 0.00 44.72 44.36 2i8t s GLY 80 CO 0.64 -0.00 0.24 1.62 0.00 0.00 0.00 173.10 175.60 2i8t s GLN 81 N -1.73 3.77 0.20 2.90 0.74 0.14 -4.89 119.66 120.79 2i8t s GLN 81 Ca 0.32 -0.41 -0.32 0.00 0.05 0.00 0.00 55.36 54.99 2i8t s GLN 81 Cb -0.15 -3.72 -0.13 0.00 1.10 0.00 0.00 33.01 30.11 2i8t s GLN 81 CO 0.17 -0.31 1.55 0.34 -0.55 0.00 0.00 175.29 176.50 2i8t n PHE 82 N 5.12 2.37 -2.58 1.67 7.35 -1.26 -0.72 117.46 129.41 2i8t n PHE 82 Ca -0.13 0.28 -0.17 0.00 -0.76 0.00 0.00 57.45 56.68 2i8t n PHE 82 Cb 0.51 -2.54 0.02 0.00 0.35 0.00 0.00 39.48 37.81 2i8t n PHE 82 CO 0.00 0.00 0.00 0.98 -0.76 0.00 0.00 176.76 176.98 2i8t n TYR 83 N 2.93 2.12 0.00 -5.13 -0.00 0.12 -4.85 117.16 112.35 2i8t n TYR 83 Ca 0.14 -2.91 0.00 0.00 -0.00 0.00 0.00 57.90 55.14 2i8t n TYR 83 Cb 0.31 -0.25 0.00 0.00 -0.00 0.00 0.00 39.34 39.40 2i8t n TYR 83 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2i8t n GLY 84 N -0.26 -0.92 3.49 2.98 0.00 -1.26 -4.33 105.19 104.90 2i8t n GLY 84 Ca 0.22 -1.65 -0.34 0.00 0.00 0.00 0.00 46.02 44.25 2i8t n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2i8t s VAL 85 N -2.21 3.94 0.34 1.61 1.01 -1.26 -1.38 120.40 122.46 2i8t s VAL 85 Ca 0.00 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 61.69 2i8t s VAL 85 Cb 0.00 -2.74 -0.07 0.00 0.00 0.00 0.00 36.38 33.58 2i8t s VAL 85 CO 0.00 0.48 0.05 0.26 0.00 0.00 0.00 175.10 175.89 2i8t s TRP 86 N 0.49 2.06 -0.03 5.22 0.52 0.31 -4.96 118.94 122.55 2i8t s TRP 86 Ca -0.03 -0.91 -0.00 0.00 0.02 0.00 0.00 56.10 55.18 2i8t s TRP 86 Cb -0.14 -1.37 0.03 0.00 -1.15 0.00 0.00 33.47 30.83 2i8t s TRP 86 CO 0.03 0.09 0.01 -0.65 0.02 0.00 0.00 176.95 176.45 2i8t s GLN 87 N -3.86 0.23 -0.15 4.98 -0.21 -1.26 -0.44 119.66 118.96 2i8t s GLN 87 Ca 0.36 0.15 0.02 0.00 0.02 0.00 0.00 55.36 55.91 2i8t s GLN 87 Cb 0.09 -0.51 0.01 0.00 1.00 0.00 0.00 33.01 33.60 2i8t s GLN 87 CO 0.16 -0.19 -0.21 -1.01 -2.12 0.00 0.00 175.29 171.91 2i8t s HIS 88 N 1.33 2.68 -0.13 0.91 3.76 -0.27 -5.00 115.29 118.57 2i8t s HIS 88 Ca -0.05 -1.40 0.03 0.00 -0.15 0.00 0.00 55.06 53.49 2i8t s HIS 88 Cb -0.13 -1.83 0.01 0.00 1.11 0.00 0.00 32.58 31.74 2i8t s HIS 88 CO -0.03 -0.65 -0.22 -0.06 -0.85 0.00 0.00 174.74 172.94 2i8t s PHE 89 N 0.91 2.66 0.08 1.40 0.08 -1.26 -0.73 117.98 121.11 2i8t s PHE 89 Ca -0.05 -1.29 0.08 0.00 0.12 0.00 0.00 56.93 55.79 2i8t s PHE 89 Cb -0.15 -1.80 -0.03 0.00 -0.57 0.00 0.00 43.02 40.47 2i8t s PHE 89 CO -0.04 -0.58 -0.20 0.71 -0.10 0.00 0.00 175.22 175.01 2i8t s TYR 90 N 0.74 1.75 -1.27 0.36 2.02 -0.11 -5.01 117.35 115.83 2i8t s TYR 90 Ca -0.09 -0.40 0.29 0.00 -0.37 0.00 0.00 57.07 56.50 2i8t s TYR 90 Cb -0.16 -0.99 1.23 0.00 -0.40 0.00 0.00 41.96 41.64 2i8t s TYR 90 CO -0.00 0.15 1.89 -0.25 -1.57 0.00 0.00 175.55 175.77 2i8t n ASP 91 N 1.40 0.17 -2.99 2.29 8.00 -1.26 -1.47 116.55 122.69 2i8t n ASP 91 Ca -0.19 -0.03 -0.13 0.00 0.71 0.00 0.00 54.79 55.15 2i8t n ASP 91 Cb 0.54 -0.25 -0.03 0.00 -0.02 0.00 0.00 41.12 41.36 2i8t n ASP 91 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2i8t n ASP 92 N -1.31 2.17 -3.90 -2.24 5.75 -1.25 -4.11 116.55 111.66 2i8t n ASP 92 Ca 0.11 -1.97 -0.12 0.00 -0.01 0.00 0.00 54.79 52.80 2i8t n ASP 92 Cb 0.30 0.24 -0.07 0.00 -1.03 0.00 0.00 41.12 40.56 2i8t n ASP 92 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2i8t s ASN 93 N -2.19 0.25 0.57 -1.12 2.20 -0.41 -2.62 114.94 111.62 2i8t s ASN 93 Ca 0.03 -1.22 0.32 0.00 -0.94 0.00 0.00 52.86 51.04 2i8t s ASN 93 Cb 0.00 0.53 1.43 0.00 -2.00 0.00 0.00 41.25 41.21 2i8t s ASN 93 CO 0.02 -1.07 1.78 2.19 -2.94 0.00 0.00 177.10 177.08 2i8t h PHE 94 N 2.34 0.00 0.00 1.54 -5.15 -1.94 -2.53 116.94 111.20 2i8t h PHE 94 Ca -0.30 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.47 2i8t h PHE 94 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.42 2i8t h PHE 94 CO 0.64 0.00 -0.14 -1.13 -2.00 0.00 0.00 178.31 175.68 2i8t n SER 95 N -3.86 1.28 0.00 -0.68 3.41 -1.26 -4.60 113.62 107.91 2i8t n SER 95 Ca 0.17 -2.28 0.00 0.00 -0.26 0.00 0.00 58.87 56.50 2i8t n SER 95 Cb 1.02 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 2i8t n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2i8t n GLY 96 N -0.65 -1.18 0.10 5.00 0.00 -0.95 -4.99 105.19 102.51 2i8t n GLY 96 Ca 0.06 -0.99 0.08 0.00 0.00 0.00 0.00 46.02 45.17 2i8t n GLY 96 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2i8t n THR 97 N 4.60 1.66 1.08 2.61 -2.24 -1.26 -1.29 114.28 119.44 2i8t n THR 97 Ca 0.00 -1.98 0.12 0.00 -2.27 0.00 0.00 64.05 59.92 2i8t n THR 97 Cb 0.00 -0.12 0.14 0.00 -2.10 0.00 0.00 70.33 68.25 2i8t n THR 97 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2i8t n ASP 98 N -1.24 1.26 -3.46 3.42 5.75 -1.26 -4.83 116.55 116.18 2i8t n ASP 98 Ca 0.13 -1.01 -0.12 0.00 -0.01 0.00 0.00 54.79 53.79 2i8t n ASP 98 Cb 0.61 0.43 -0.02 0.00 -1.03 0.00 0.00 41.12 41.11 2i8t n ASP 98 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 2i8t s PHE 99 N -2.67 -0.49 0.60 2.11 -0.12 -1.26 -5.12 117.98 111.03 2i8t s PHE 99 Ca 0.17 0.26 -0.07 0.00 -0.05 0.00 0.00 56.93 57.23 2i8t s PHE 99 Cb 0.18 0.53 0.00 0.00 -0.63 0.00 0.00 43.02 43.10 2i8t s PHE 99 CO 0.63 -0.85 0.93 0.95 -0.05 0.00 0.00 175.22 176.84 2i8t s THR 100 N -3.76 3.87 -0.02 -4.49 -4.23 -1.26 -3.41 115.64 102.34 2i8t s THR 100 Ca 0.02 0.18 0.07 0.00 -1.18 0.00 0.00 61.69 60.78 2i8t s THR 100 Cb -0.01 -3.54 -0.02 0.00 1.34 0.00 0.00 72.50 70.27 2i8t s THR 100 CO -0.12 -0.60 -0.23 -0.89 -0.54 0.00 0.00 174.62 172.24 2i8t s THR 101 N -3.04 1.84 -0.08 3.99 2.01 -0.54 -4.52 115.64 115.30 2i8t s THR 101 Ca 0.54 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 61.56 2i8t s THR 101 Cb -0.11 -1.54 0.02 0.00 0.01 0.00 0.00 72.50 70.89 2i8t s THR 101 CO 0.47 0.52 -0.08 -2.28 -0.69 0.00 0.00 174.62 172.56 2i8t s HIS 102 N -0.47 1.27 -0.02 4.92 5.04 -1.26 -0.93 115.29 123.84 2i8t s HIS 102 Ca 0.07 -0.51 0.08 0.00 -1.54 0.00 0.00 55.06 53.16 2i8t s HIS 102 Cb -0.10 -1.02 -0.02 0.00 0.04 0.00 0.00 32.58 31.48 2i8t s HIS 102 CO -0.00 -0.33 -0.26 0.71 -2.34 0.00 0.00 174.74 172.52 2i8t s TYR 103 N 1.11 2.34 -0.22 3.88 2.02 0.09 -0.25 117.35 126.31 2i8t s TYR 103 Ca -0.07 -0.47 -0.08 0.00 -0.37 0.00 0.00 57.07 56.08 2i8t s TYR 103 Cb -0.14 -1.51 -0.04 0.00 -0.40 0.00 0.00 41.96 39.87 2i8t s TYR 103 CO -0.01 -0.06 0.09 0.08 -1.57 0.00 0.00 175.55 174.08 2i8t s VAL 104 N -0.56 4.77 -0.07 0.71 1.01 0.04 -1.11 120.40 125.19 2i8t s VAL 104 Ca 0.09 -0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.09 2i8t s VAL 104 Cb -0.10 -3.20 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 2i8t s VAL 104 CO -0.00 0.38 -0.24 -0.69 0.00 0.00 0.00 175.10 174.54 2i8t s VAL 105 N 1.06 2.02 -0.29 2.92 1.01 0.42 -1.32 120.40 126.21 2i8t s VAL 105 Ca 0.05 -1.03 -0.09 0.00 0.00 0.00 0.00 61.98 60.91 2i8t s VAL 105 Cb -0.14 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 2i8t s VAL 105 CO 0.04 0.56 0.13 -0.76 0.00 0.00 0.00 175.10 175.07 2i8t s LEU 106 N 0.01 3.93 0.20 3.92 1.43 0.31 -0.53 118.68 127.95 2i8t s LEU 106 Ca -0.09 -0.41 -0.16 0.00 -1.03 0.00 0.00 54.13 52.44 2i8t s LEU 106 Cb -0.15 -1.99 -0.08 0.00 0.03 0.00 0.00 46.19 44.00 2i8t s LEU 106 CO 0.05 -0.14 0.64 -0.83 0.23 0.00 0.00 176.35 176.30 2i8t s GLY 107 N 1.62 2.50 -0.02 -3.19 0.00 -0.48 -1.48 107.32 106.28 2i8t s GLY 107 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 44.72 44.77 2i8t s GLY 107 CO 0.06 0.30 0.01 -1.36 0.00 0.00 0.00 173.10 172.11 2i8t s PHE 108 N -1.56 0.16 -0.09 1.90 0.08 -0.32 0.12 117.98 118.27 2i8t s PHE 108 Ca 0.42 0.05 -0.01 0.00 0.12 0.00 0.00 56.93 57.51 2i8t s PHE 108 Cb -0.15 -0.27 -0.03 0.00 -0.57 0.00 0.00 43.02 42.00 2i8t s PHE 108 CO 0.20 -0.09 -0.05 0.50 -0.10 0.00 0.00 175.22 175.68 2i8t s ARG 109 N 0.81 2.99 0.06 0.44 3.52 0.10 -0.39 118.95 126.49 2i8t s ARG 109 Ca -0.07 -0.51 -0.26 0.00 -0.13 0.00 0.00 55.73 54.75 2i8t s ARG 109 Cb -0.11 -2.70 0.07 0.00 -1.56 0.00 0.00 34.95 30.66 2i8t s ARG 109 CO -0.02 0.58 0.66 -0.59 -0.81 0.00 0.00 175.30 175.12 2i8t s PHE 110 N -0.58 -0.57 -0.10 5.12 -0.12 -0.67 -0.68 117.98 120.39 2i8t s PHE 110 Ca 0.09 0.62 -0.03 0.00 -0.05 0.00 0.00 56.93 57.56 2i8t s PHE 110 Cb -0.12 0.50 -0.03 0.00 -0.63 0.00 0.00 43.02 42.74 2i8t s PHE 110 CO 0.02 -0.73 0.02 0.50 -0.05 0.00 0.00 175.22 174.98 2i8t s ARG 111 N -2.71 3.09 0.22 1.99 3.52 -1.26 -0.96 118.95 122.84 2i8t s ARG 111 Ca -0.03 -0.37 0.02 0.00 -0.13 0.00 0.00 55.73 55.22 2i8t s ARG 111 Cb -0.01 -2.86 -0.05 0.00 -1.56 0.00 0.00 34.95 30.47 2i8t s ARG 111 CO -0.04 0.69 0.03 0.14 -0.81 0.00 0.00 175.30 175.30 2i8t s VAL 112 N -0.82 0.79 -0.19 7.11 -7.23 -0.17 -4.92 120.40 114.96 2i8t s VAL 112 Ca 0.13 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.12 2i8t s VAL 112 Cb -0.12 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 2i8t s VAL 112 CO 0.02 -0.27 0.43 0.00 -0.31 0.00 0.00 175.10 174.98 2i8t s ALA 113 N -3.59 3.55 0.30 1.32 0.00 -1.26 -4.32 121.76 117.76 2i8t s ALA 113 Ca 0.30 -0.47 0.05 0.00 0.00 0.00 0.00 51.96 51.84 2i8t s ALA 113 Cb 0.07 -2.68 0.69 0.00 0.00 0.00 0.00 23.12 21.20 2i8t s ALA 113 CO 0.09 -0.31 1.80 0.93 0.00 0.00 0.00 175.76 178.27 2i8t h GLU 114 N 7.33 0.80 0.00 0.00 5.08 -1.97 -1.58 114.58 124.24 2i8t h GLU 114 Ca -0.36 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 2i8t h GLU 114 Cb 1.16 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.23 2i8t h GLU 114 CO 0.73 0.53 0.00 -1.91 -1.00 0.00 0.00 179.01 177.36 2i8t n GLU 115 N -4.71 0.21 0.00 2.33 4.07 -1.26 -2.06 120.64 119.22 2i8t n GLU 115 Ca 0.22 0.14 0.11 0.00 -0.06 0.00 0.00 57.16 57.57 2i8t n GLU 115 Cb 0.51 -1.50 0.02 0.00 -0.06 0.00 0.00 31.44 30.41 2i8t n GLU 115 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2i8t n GLU 116 N -1.30 1.51 -3.40 5.31 1.02 -0.59 -4.95 120.64 118.24 2i8t n GLU 116 Ca 0.07 -1.18 -0.26 0.00 -0.02 0.00 0.00 57.16 55.78 2i8t n GLU 116 Cb 0.13 -1.44 -0.02 0.00 -0.02 0.00 0.00 31.44 30.09 2i8t n GLU 116 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2i8t s LEU 117 N -2.27 4.05 -0.49 -4.62 1.43 -0.87 -4.69 118.68 111.21 2i8t s LEU 117 Ca 0.20 0.53 0.04 0.00 -1.03 0.00 0.00 54.13 53.87 2i8t s LEU 117 Cb 0.17 -3.36 0.17 0.00 0.03 0.00 0.00 46.19 43.20 2i8t s LEU 117 CO 0.48 -0.24 0.39 0.18 0.23 0.00 0.00 176.35 177.40 2i8t n LEU 118 N -1.39 0.52 -4.66 1.79 4.77 -0.47 -5.01 117.00 112.56 2i8t n LEU 118 Ca -0.04 -4.62 -0.42 0.00 -0.03 0.00 0.00 56.01 50.90 2i8t n LEU 118 Cb 0.55 0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.80 2i8t n LEU 118 CO 0.49 1.84 1.51 -0.76 -1.33 0.00 0.00 177.39 179.14 2i8t s LEU 119 N -0.41 4.32 0.65 2.23 1.43 -1.24 -3.53 118.68 122.13 2i8t s LEU 119 Ca 0.31 2.42 -0.11 0.00 -1.03 0.00 0.00 54.13 55.71 2i8t s LEU 119 Cb 0.02 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.69 2i8t s LEU 119 CO -0.19 -1.06 1.06 -2.16 0.23 0.00 0.00 176.35 174.23 2i8t s PRO 120 N 4.40 3.30 0.00 1.29 0.04 -1.26 -5.02 135.00 137.75 2i8t s PRO 120 Ca 0.82 0.64 0.13 0.00 0.04 0.00 0.00 61.00 62.64 2i8t s PRO 120 Cb -0.38 -2.06 0.28 0.00 0.04 0.00 0.00 34.50 32.38 2i8t s PRO 120 CO 0.36 -0.76 1.17 -0.40 0.04 0.00 0.00 177.00 177.41 2i8t n ASP 121 N -2.86 2.76 -0.15 6.66 5.75 -1.26 -4.56 116.55 122.90 2i8t n ASP 121 Ca 0.06 -1.84 -0.11 0.00 -0.01 0.00 0.00 54.79 52.90 2i8t n ASP 121 Cb 0.55 -0.18 -0.01 0.00 -1.03 0.00 0.00 41.12 40.45 2i8t n ASP 121 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2i8t h GLU 122 N 2.59 0.84 -0.00 0.11 3.07 -1.96 -3.35 114.58 115.88 2i8t h GLU 122 Ca 0.00 -0.33 0.00 0.00 -0.50 0.00 0.00 59.36 58.53 2i8t h GLU 122 Cb 0.71 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 2i8t h GLU 122 CO 0.00 0.96 -0.47 1.04 -1.40 0.00 0.00 179.01 179.14 2i8t n GLN 123 N -4.27 2.73 -3.86 2.33 6.02 -1.26 -4.89 117.38 114.17 2i8t n GLN 123 Ca -0.01 -0.21 -0.12 0.00 -0.01 0.00 0.00 57.00 56.65 2i8t n GLN 123 Cb 0.38 -1.09 -0.14 0.00 1.02 0.00 0.00 30.24 30.42 2i8t n GLN 123 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2i8t s HIS 124 N -1.95 -0.02 -2.95 1.08 3.76 -1.26 -1.27 115.29 112.68 2i8t s HIS 124 Ca 0.06 0.06 0.24 0.00 -0.15 0.00 0.00 55.06 55.28 2i8t s HIS 124 Cb 0.09 0.00 0.28 0.00 1.11 0.00 0.00 32.58 34.06 2i8t s HIS 124 CO 0.43 -0.03 1.31 -0.40 -0.85 0.00 0.00 174.74 175.21 2i8t n ASP 125 N 2.99 2.85 -3.52 1.40 5.68 -0.61 -4.49 116.55 120.85 2i8t n ASP 125 Ca -0.13 -1.95 -0.10 0.00 -0.50 0.00 0.00 54.79 52.11 2i8t n ASP 125 Cb 0.60 -0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.54 2i8t n ASP 125 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2i8t s ASP 126 N -2.00 -0.41 0.01 -1.12 2.15 -1.26 -4.99 116.67 109.05 2i8t s ASP 126 Ca 0.29 0.18 0.01 0.00 0.43 0.00 0.00 52.55 53.46 2i8t s ASP 126 Cb 0.20 0.39 -0.01 0.00 -0.30 0.00 0.00 42.92 43.21 2i8t s ASP 126 CO 0.30 -0.57 -0.03 -0.31 -0.17 0.00 0.00 175.17 174.39 2i8t s TYR 127 N -2.44 0.29 0.02 -5.34 2.02 -1.26 -1.23 117.35 109.40 2i8t s TYR 127 Ca 0.01 -0.15 -0.00 0.00 -0.37 0.00 0.00 57.07 56.56 2i8t s TYR 127 Cb -0.01 -0.18 -0.02 0.00 -0.40 0.00 0.00 41.96 41.35 2i8t s TYR 127 CO -0.05 -0.04 -0.03 1.03 -1.57 0.00 0.00 175.55 174.90 2i8t s ARG 128 N -0.40 0.35 -0.35 -0.62 0.52 -0.30 -5.01 118.95 113.13 2i8t s ARG 128 Ca -0.02 -0.68 -0.11 0.00 -0.52 0.00 0.00 55.73 54.40 2i8t s ARG 128 Cb -0.03 0.12 0.01 0.00 0.52 0.00 0.00 34.95 35.57 2i8t s ARG 128 CO -0.00 -0.06 0.20 -1.58 0.02 0.00 0.00 175.30 173.88 2i8t s TRP 129 N -1.73 3.22 0.05 -0.53 0.52 -1.26 -1.03 118.94 118.17 2i8t s TRP 129 Ca -0.13 -0.68 0.07 0.00 0.02 0.00 0.00 56.10 55.37 2i8t s TRP 129 Cb -0.08 -2.43 -0.03 0.00 -1.15 0.00 0.00 33.47 29.78 2i8t s TRP 129 CO -0.02 -0.54 -0.17 -0.51 0.02 0.00 0.00 176.95 175.73 2i8t s LEU 130 N 1.61 2.66 0.53 2.99 1.43 0.19 -4.70 118.68 123.40 2i8t s LEU 130 Ca 0.04 -0.42 -0.18 0.00 -1.03 0.00 0.00 54.13 52.55 2i8t s LEU 130 Cb -0.18 -1.55 -0.07 0.00 0.03 0.00 0.00 46.19 44.43 2i8t s LEU 130 CO 0.07 0.25 1.03 0.42 0.23 0.00 0.00 176.35 178.35 2i8t s THR 131 N -0.95 4.03 0.28 5.49 -4.23 -1.26 -0.48 115.64 118.51 2i8t s THR 131 Ca 0.15 1.06 0.02 0.00 -1.18 0.00 0.00 61.69 61.74 2i8t s THR 131 Cb -0.11 -3.50 0.27 0.00 1.34 0.00 0.00 72.50 70.50 2i8t s THR 131 CO 0.06 -0.47 1.73 -0.65 -0.54 0.00 0.00 174.62 174.76 2i8t h PRO 132 N 0.96 0.52 -0.59 3.99 0.11 -1.97 -1.52 132.00 133.50 2i8t h PRO 132 Ca -0.48 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 2i8t h PRO 132 Cb 1.21 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 2i8t h PRO 132 CO 0.59 0.35 0.37 -0.44 -0.21 0.00 0.00 178.00 178.66 2i8t h ASP 133 N 0.54 0.70 -0.48 -2.05 3.32 -1.96 -0.94 116.42 115.55 2i8t h ASP 133 Ca 0.52 -0.05 -0.11 0.00 0.02 0.00 0.00 57.03 57.41 2i8t h ASP 133 Cb 0.86 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 2i8t h ASP 133 CO -0.44 0.54 -0.13 0.00 -1.72 0.00 0.00 179.24 177.49 2i8t h ALA 134 N 1.19 0.67 -0.12 3.45 0.00 -1.80 -2.23 119.26 120.42 2i8t h ALA 134 Ca 0.21 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 2i8t h ALA 134 Cb -0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2i8t h ALA 134 CO -0.04 0.59 -0.64 1.37 0.00 0.00 0.00 179.25 180.53 2i8t h LEU 135 N 0.79 0.53 -1.39 0.00 8.10 -1.16 -2.84 115.31 119.34 2i8t h LEU 135 Ca 0.12 -0.32 -0.06 0.00 0.11 0.00 0.00 57.88 57.74 2i8t h LEU 135 Cb 0.69 -0.15 -0.01 0.00 -0.44 0.00 0.00 40.66 40.75 2i8t h LEU 135 CO 0.05 1.03 -0.27 -0.07 -4.11 0.00 0.00 178.44 175.08 2i8t h LEU 136 N 0.34 0.00 -0.85 0.17 3.38 -1.11 -3.08 115.31 114.15 2i8t h LEU 136 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2i8t h LEU 136 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2i8t h LEU 136 CO 0.11 0.27 0.00 0.00 0.09 0.00 0.00 178.44 178.91 2i8t n ALA 137 N -2.34 2.55 -3.80 1.53 0.00 -0.84 -4.84 120.51 112.77 2i8t n ALA 137 Ca -0.01 -0.43 -0.33 0.00 0.00 0.00 0.00 53.44 52.67 2i8t n ALA 137 Cb 0.37 -1.15 -0.16 0.00 0.00 0.00 0.00 19.45 18.51 2i8t n ALA 137 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2i8t s SER 138 N -1.63 3.18 0.03 0.00 0.15 -1.17 -4.97 113.70 109.29 2i8t s SER 138 Ca 0.33 -0.61 0.18 0.00 0.70 0.00 0.00 55.95 56.55 2i8t s SER 138 Cb 0.17 -1.47 0.77 0.00 -1.71 0.00 0.00 66.02 63.78 2i8t s SER 138 CO 0.26 0.05 1.58 -0.62 1.20 0.00 0.00 173.24 175.72 2i8t n GLU 139 N 4.27 0.02 0.03 5.44 1.02 -1.26 -2.17 120.64 127.99 2i8t n GLU 139 Ca -0.20 0.22 0.13 0.00 -0.02 0.00 0.00 57.16 57.29 2i8t n GLU 139 Cb 0.51 -1.54 0.53 0.00 -0.02 0.00 0.00 31.44 30.92 2i8t n GLU 139 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2i8t n ASN 140 N -1.58 0.20 -4.68 1.62 3.02 -1.26 -4.59 115.26 107.98 2i8t n ASN 140 Ca 0.04 0.52 -0.39 0.00 -0.03 0.00 0.00 54.58 54.72 2i8t n ASN 140 Cb 0.21 -0.57 -0.06 0.00 -0.61 0.00 0.00 39.78 38.75 2i8t n ASN 140 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2i8t s VAL 141 N -3.03 5.10 0.45 2.41 1.01 -0.92 -0.76 120.40 124.65 2i8t s VAL 141 Ca 0.12 1.05 -0.25 0.00 0.00 0.00 0.00 61.98 62.90 2i8t s VAL 141 Cb 0.16 -3.88 -0.08 0.00 0.00 0.00 0.00 36.38 32.59 2i8t s VAL 141 CO 0.51 0.21 1.33 -2.28 0.00 0.00 0.00 175.10 174.87 2i8t s HIS 142 N 1.37 2.63 0.38 5.22 2.46 -0.74 -4.75 115.29 121.85 2i8t s HIS 142 Ca 0.27 1.37 0.14 0.00 0.47 0.00 0.00 55.06 57.31 2i8t s HIS 142 Cb -0.16 -3.73 0.97 0.00 -0.13 0.00 0.00 32.58 29.53 2i8t s HIS 142 CO 0.11 -2.41 1.81 0.00 -2.47 0.00 0.00 174.74 171.78 2i8t h ALA 143 N 2.30 2.03 0.00 1.58 0.00 -1.92 0.39 119.26 123.64 2i8t h ALA 143 Ca -0.50 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2i8t h ALA 143 Cb 1.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2i8t h ALA 143 CO 0.61 -0.37 0.00 -0.91 0.00 0.00 0.00 179.25 178.58 2i8t h ASN 144 N 0.53 0.00 0.14 0.00 2.35 -1.98 -1.86 115.58 114.77 2i8t h ASN 144 Ca 0.53 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.92 2i8t h ASN 144 Cb 1.14 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.48 2i8t h ASN 144 CO -0.27 0.00 -2.05 -1.20 -1.65 0.00 0.00 177.43 172.26 2i8t n SER 145 N -3.01 1.91 -0.34 5.81 7.64 -0.03 -4.36 113.62 121.24 2i8t n SER 145 Ca 0.00 0.17 0.05 0.00 1.01 0.00 0.00 58.87 60.11 2i8t n SER 145 Cb 0.27 -0.65 0.23 0.00 -1.01 0.00 0.00 64.21 63.04 2i8t n SER 145 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2i8t h ARG 146 N 0.05 1.01 0.00 1.43 3.08 -0.80 -2.50 114.38 116.65 2i8t h ARG 146 Ca -0.44 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.55 2i8t h ARG 146 Cb 2.02 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 31.84 2i8t h ARG 146 CO 0.06 0.67 -0.02 -0.39 -1.07 0.00 0.00 179.97 179.22 2i8t h VAL 147 N 1.04 0.15 0.00 2.04 -1.51 -1.54 -1.07 116.25 115.35 2i8t h VAL 147 Ca 0.45 -0.16 -0.01 0.00 -1.23 0.00 0.00 66.70 65.75 2i8t h VAL 147 Cb 0.35 1.14 -0.00 0.00 -2.13 0.00 0.00 31.29 30.64 2i8t h VAL 147 CO -0.21 0.02 -0.04 1.88 -1.23 0.00 0.00 177.57 177.99 2i8t h TYR 148 N 0.00 0.00 -0.03 5.19 0.05 -1.67 -2.99 116.97 117.52 2i8t h TYR 148 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2i8t h TYR 148 Cb 0.14 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.88 2i8t h TYR 148 CO 0.00 0.04 0.00 1.19 -1.05 0.00 0.00 178.16 178.34 2i8t n PHE 149 N -3.26 0.02 0.00 4.88 3.72 -0.41 -5.19 117.46 117.21 2i8t n PHE 149 Ca -0.01 -0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2i8t n PHE 149 Cb 0.20 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 2i8t n PHE 149 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80