#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8f n ASN 2 N 0.00 0.57 0.00 6.12 3.02 -1.26 -2.73 115.26 120.98 3i8f n ASN 2 Ca 0.00 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 3i8f n ASN 2 Cb 0.00 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 3i8f n ASN 2 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3i8f n ARG 3 N 1.76 0.00 -0.31 3.52 3.00 -1.26 -5.01 116.66 118.36 3i8f n ARG 3 Ca 0.00 0.00 0.29 0.00 -0.00 0.00 0.00 57.85 58.14 3i8f n ARG 3 Cb 0.06 0.00 0.63 0.00 0.00 0.00 0.00 32.46 33.15 3i8f n ARG 3 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 3i8f h GLY 4 N 0.00 0.63 0.96 5.14 0.00 -1.95 -0.55 103.07 107.30 3i8f h GLY 4 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 3i8f h GLY 4 CO 0.00 -0.08 -0.28 0.00 0.00 0.00 0.00 176.54 176.18 3i8f h ALA 5 N 1.53 -0.78 -0.88 3.60 0.00 -1.95 -2.90 119.26 117.88 3i8f h ALA 5 Ca 0.58 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 3i8f h ALA 5 Cb 1.86 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 19.92 3i8f h ALA 5 CO -0.16 -0.92 0.49 1.25 0.00 0.00 0.00 179.25 179.91 3i8f h LEU 6 N -0.83 1.10 -1.80 0.00 5.85 -1.57 0.28 115.31 118.33 3i8f h LEU 6 Ca -0.08 -0.09 0.16 0.00 0.84 0.00 0.00 57.88 58.71 3i8f h LEU 6 Cb 0.62 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3i8f h LEU 6 CO 0.13 0.88 0.61 0.40 -0.34 0.00 0.00 178.44 180.12 3i8f h ILE 7 N 1.23 0.30 0.00 4.05 1.08 -0.97 -0.16 117.51 123.03 3i8f h ILE 7 Ca 0.31 0.00 -0.14 0.00 -0.39 0.00 0.00 64.86 64.64 3i8f h ILE 7 Cb 0.02 0.51 -0.03 0.00 -3.07 0.00 0.00 36.82 34.25 3i8f h ILE 7 CO -0.05 0.00 -1.82 2.29 -0.69 0.00 0.00 178.15 177.88 3i8f n LYS 8 N -3.63 1.19 0.33 2.37 2.85 -0.07 -4.04 118.16 117.17 3i8f n LYS 8 Ca 0.11 -0.06 0.18 0.00 -1.05 0.00 0.00 58.31 57.49 3i8f n LYS 8 Cb 0.83 -1.35 0.95 0.00 -0.65 0.00 0.00 35.03 34.80 3i8f n LYS 8 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 3i8f h LEU 9 N 0.00 0.00 -0.85 -5.58 3.38 0.12 1.19 115.31 113.57 3i8f h LEU 9 Ca -0.21 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.65 3i8f h LEU 9 Cb 1.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 3i8f h LEU 9 CO 0.01 0.00 -0.33 0.58 0.09 0.00 0.00 178.44 178.79 3i8f h VAL 10 N 0.00 1.29 0.00 1.22 2.07 -1.42 -2.10 116.25 117.30 3i8f h VAL 10 Ca 0.01 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.10 3i8f h VAL 10 Cb 0.46 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3i8f h VAL 10 CO -0.00 0.45 0.00 -0.33 0.02 0.00 0.00 177.57 177.71 3i8f h GLU 11 N 0.40 0.00 -2.23 1.57 3.07 0.12 -3.24 114.58 114.27 3i8f h GLU 11 Ca 0.05 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.80 3i8f h GLU 11 Cb 0.78 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.65 3i8f h GLU 11 CO 0.06 0.00 -0.12 0.43 -1.40 0.00 0.00 179.01 177.99 3i8f n SER 12 N -2.89 3.80 -1.08 1.42 7.64 -0.79 -3.69 113.62 118.03 3i8f n SER 12 Ca -0.02 -2.17 0.07 0.00 1.01 0.00 0.00 58.87 57.76 3i8f n SER 12 Cb 0.12 -0.99 0.24 0.00 -1.01 0.00 0.00 64.21 62.57 3i8f n SER 12 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3i8f n ARG 13 N 2.45 2.59 -0.06 1.43 1.85 -1.23 -3.09 116.66 120.61 3i8f n ARG 13 Ca 0.25 -1.90 0.05 0.00 -1.00 0.00 0.00 57.85 55.25 3i8f n ARG 13 Cb 0.61 -1.57 0.08 0.00 -1.05 0.00 0.00 32.46 30.52 3i8f n ARG 13 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3i8f n TYR 14 N 0.82 0.15 -1.34 2.89 4.02 -1.24 -5.04 117.16 117.42 3i8f n TYR 14 Ca 0.17 -0.17 -0.30 0.00 -0.01 0.00 0.00 57.90 57.59 3i8f n TYR 14 Cb 0.56 -0.01 0.12 0.00 -0.02 0.00 0.00 39.34 39.99 3i8f n TYR 14 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 3i8f s VAL 15 N -0.89 2.81 0.09 -0.72 -7.23 -1.18 -4.91 120.40 108.37 3i8f s VAL 15 Ca 0.15 0.26 0.08 0.00 -1.81 0.00 0.00 61.98 60.66 3i8f s VAL 15 Cb 0.09 -2.85 -0.03 0.00 0.56 0.00 0.00 36.38 34.15 3i8f s VAL 15 CO 0.13 -0.34 -0.21 -0.13 -0.31 0.00 0.00 175.10 174.23 3i8f s ARG 16 N -5.02 1.21 0.00 4.82 1.81 -1.26 -5.03 118.95 115.48 3i8f s ARG 16 Ca 0.62 -1.12 0.00 0.00 -1.72 0.00 0.00 55.73 53.52 3i8f s ARG 16 Cb -0.17 -1.45 0.00 0.00 -0.45 0.00 0.00 34.95 32.88 3i8f s ARG 16 CO 0.56 0.35 0.00 -2.37 -0.68 0.00 0.00 175.30 173.15 3i8f n THR 17 N 1.27 0.00 -0.24 0.02 5.66 -1.26 -4.83 114.28 114.89 3i8f n THR 17 Ca -0.19 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 60.83 3i8f n THR 17 Cb 0.53 -0.16 0.14 0.00 -1.55 0.00 0.00 70.33 69.29 3i8f n THR 17 CO 0.00 0.00 0.00 -2.24 -3.05 0.00 0.00 175.07 169.78 3i8f h ASP 18 N 0.00 0.41 -2.91 1.09 2.03 -2.01 -3.44 116.42 111.58 3i8f h ASP 18 Ca 0.00 0.07 -0.59 0.00 -0.73 0.00 0.00 57.03 55.78 3i8f h ASP 18 Cb 0.26 0.00 0.13 0.00 -0.83 0.00 0.00 39.33 38.89 3i8f h ASP 18 CO 0.00 0.23 0.08 0.18 -1.03 0.00 0.00 179.24 178.70 3i8f n LEU 19 N -4.89 2.21 -4.79 0.15 4.77 -1.26 -5.01 117.00 108.18 3i8f n LEU 19 Ca 0.11 1.03 -0.31 0.00 -0.03 0.00 0.00 56.01 56.81 3i8f n LEU 19 Cb 0.29 -1.32 0.08 0.00 -2.33 0.00 0.00 43.42 40.14 3i8f n LEU 19 CO 0.24 -1.67 0.70 -2.84 -1.33 0.00 0.00 177.39 172.49 3i8f s PRO 20 N -1.93 2.50 -0.09 3.23 0.02 -1.26 -5.06 135.00 132.41 3i8f s PRO 20 Ca 0.63 1.09 -0.17 0.00 0.02 0.00 0.00 61.00 62.56 3i8f s PRO 20 Cb -0.57 -1.93 -0.05 0.00 0.02 0.00 0.00 34.50 31.97 3i8f s PRO 20 CO 0.57 -1.45 0.46 -1.21 -0.33 0.00 0.00 177.00 175.04 3i8f s GLU 21 N -4.96 4.25 -0.09 5.54 2.02 -1.26 -5.06 118.70 119.15 3i8f s GLU 21 Ca 0.60 0.44 -0.17 0.00 0.02 0.00 0.00 54.97 55.86 3i8f s GLU 21 Cb -0.16 -3.39 0.04 0.00 0.10 0.00 0.00 34.13 30.72 3i8f s GLU 21 CO 0.56 0.29 0.42 -0.59 0.02 0.00 0.00 175.26 175.95 3i8f s PHE 22 N 0.21 -0.39 0.07 1.61 -0.12 -1.26 -5.08 117.98 113.02 3i8f s PHE 22 Ca 0.25 0.82 0.06 0.00 -0.05 0.00 0.00 56.93 58.01 3i8f s PHE 22 Cb -0.16 0.17 -0.03 0.00 -0.63 0.00 0.00 43.02 42.38 3i8f s PHE 22 CO 0.11 -0.34 -0.16 -0.98 -0.05 0.00 0.00 175.22 173.79 3i8f s ARG 23 N -0.57 0.98 -0.04 1.99 1.70 -1.26 -5.09 118.95 116.65 3i8f s ARG 23 Ca -0.07 -0.95 -0.40 0.00 -0.47 0.00 0.00 55.73 53.85 3i8f s ARG 23 Cb -0.03 -1.06 -0.19 0.00 -0.57 0.00 0.00 34.95 33.09 3i8f s ARG 23 CO 0.03 0.25 1.09 -0.35 -1.08 0.00 0.00 175.30 175.24 3i8f n PRO 24 N 1.45 0.00 0.00 3.89 -0.04 -1.26 -2.71 135.00 136.34 3i8f n PRO 24 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 3i8f n PRO 24 Cb 0.54 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 3i8f n PRO 24 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i8f n GLY 25 N 1.68 2.41 3.69 0.55 0.00 -1.14 -4.39 105.19 107.99 3i8f n GLY 25 Ca 0.20 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 3i8f n GLY 25 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3i8f s ASP 26 N 0.00 3.16 -0.15 1.61 1.47 -1.10 -4.35 116.67 117.32 3i8f s ASP 26 Ca 0.00 2.14 -0.05 0.00 1.18 0.00 0.00 52.55 55.83 3i8f s ASP 26 Cb 0.00 -2.56 -0.03 0.00 -0.34 0.00 0.00 42.92 39.98 3i8f s ASP 26 CO 0.00 -2.94 0.01 0.28 0.68 0.00 0.00 175.17 173.20 3i8f s THR 27 N -2.67 4.38 0.16 2.11 -1.32 -0.36 -2.87 115.64 115.07 3i8f s THR 27 Ca 0.66 -0.19 0.10 0.00 -1.21 0.00 0.00 61.69 61.05 3i8f s THR 27 Cb -0.22 -2.92 -0.04 0.00 -1.51 0.00 0.00 72.50 67.80 3i8f s THR 27 CO 0.57 0.51 -0.23 0.54 -2.21 0.00 0.00 174.62 173.80 3i8f s VAL 28 N 0.02 2.17 -0.04 5.08 0.11 -0.43 -1.77 120.40 125.53 3i8f s VAL 28 Ca 0.03 -1.89 0.04 0.00 -2.93 0.00 0.00 61.98 57.23 3i8f s VAL 28 Cb -0.13 -1.98 -0.03 0.00 -1.53 0.00 0.00 36.38 32.72 3i8f s VAL 28 CO 0.02 -0.09 -0.14 -0.60 -3.33 0.00 0.00 175.10 170.96 3i8f s ARG 29 N -2.46 2.48 -0.13 1.54 3.00 0.38 -2.29 118.95 121.48 3i8f s ARG 29 Ca 0.17 -0.71 -0.04 0.00 -1.00 0.00 0.00 55.73 54.14 3i8f s ARG 29 Cb -0.08 -2.38 0.05 0.00 0.00 0.00 0.00 34.95 32.54 3i8f s ARG 29 CO 0.08 0.62 0.08 0.54 0.00 0.00 0.00 175.30 176.61 3i8f s VAL 30 N -0.77 -0.06 -0.10 7.11 0.11 -0.86 -2.13 120.40 123.69 3i8f s VAL 30 Ca 0.12 0.01 -0.30 0.00 -2.93 0.00 0.00 61.98 58.88 3i8f s VAL 30 Cb -0.11 -0.46 -0.03 0.00 -1.53 0.00 0.00 36.38 34.25 3i8f s VAL 30 CO 0.01 -0.13 1.27 -0.44 -3.33 0.00 0.00 175.10 172.48 3i8f s SER 31 N 2.13 6.96 -0.06 3.54 0.01 -1.24 -2.59 113.70 122.46 3i8f s SER 31 Ca 0.03 1.80 0.03 0.00 1.31 0.00 0.00 55.95 59.12 3i8f s SER 31 Cb -0.15 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.54 3i8f s SER 31 CO -0.07 -0.70 -0.15 -0.47 0.41 0.00 0.00 173.24 172.26 3i8f s TYR 32 N 2.92 1.66 0.35 2.43 5.04 0.97 -2.99 117.35 127.73 3i8f s TYR 32 Ca 0.57 -0.59 -0.29 0.00 -2.44 0.00 0.00 57.07 54.33 3i8f s TYR 32 Cb -0.24 -1.17 -0.11 0.00 0.35 0.00 0.00 41.96 40.80 3i8f s TYR 32 CO 0.19 -0.26 1.41 0.15 -1.34 0.00 0.00 175.55 175.70 3i8f s LYS 33 N 0.45 4.23 -0.06 4.97 1.02 -0.86 -1.12 119.74 128.37 3i8f s LYS 33 Ca -0.12 2.40 -0.12 0.00 0.02 0.00 0.00 55.97 58.15 3i8f s LYS 33 Cb -0.15 -3.02 0.02 0.00 -0.52 0.00 0.00 37.83 34.16 3i8f s LYS 33 CO 0.04 -0.38 0.28 0.08 -0.92 0.00 0.00 175.35 174.45 3i8f s VAL 34 N -1.03 0.03 -0.74 3.17 1.01 0.04 -4.89 120.40 118.00 3i8f s VAL 34 Ca 0.52 -0.26 -0.12 0.00 0.00 0.00 0.00 61.98 62.11 3i8f s VAL 34 Cb -0.43 -0.49 0.19 0.00 0.00 0.00 0.00 36.38 35.65 3i8f s VAL 34 CO 0.57 -0.14 0.66 -0.54 0.00 0.00 0.00 175.10 175.65 3i8f s LYS 35 N -0.58 3.31 -0.18 2.72 3.01 -1.26 -1.07 119.74 125.69 3i8f s LYS 35 Ca -0.07 -2.35 -0.18 0.00 -1.01 0.00 0.00 55.97 52.35 3i8f s LYS 35 Cb -0.04 -4.28 -0.03 0.00 -1.01 0.00 0.00 37.83 32.47 3i8f s LYS 35 CO 0.02 -1.27 0.51 -1.83 0.51 0.00 0.00 175.35 173.29 3i8f s GLU 36 N 0.35 4.22 6.30 1.68 -1.05 -1.05 -4.81 118.70 124.34 3i8f s GLU 36 Ca 0.15 0.42 0.00 0.00 -0.15 0.00 0.00 54.97 55.39 3i8f s GLU 36 Cb -0.15 -3.54 0.00 0.00 -0.44 0.00 0.00 34.13 30.00 3i8f s GLU 36 CO -0.06 -0.09 0.00 0.41 0.95 0.00 0.00 175.26 176.47 3i8f n GLY 37 N 3.77 2.12 0.61 -3.83 0.00 -1.26 -2.25 105.19 104.35 3i8f n GLY 37 Ca -0.05 -0.45 0.08 0.00 0.00 0.00 0.00 46.02 45.59 3i8f n GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3i8f n ASN 38 N 4.21 2.26 -3.80 1.61 6.94 -1.26 -4.99 115.26 120.23 3i8f n ASN 38 Ca 0.00 -1.63 -0.14 0.00 -0.02 0.00 0.00 54.58 52.79 3i8f n ASN 38 Cb 0.00 0.04 0.06 0.00 -2.36 0.00 0.00 39.78 37.52 3i8f n ASN 38 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 3i8f n ARG 39 N 0.81 0.47 -3.69 -3.83 1.85 -0.95 -5.08 116.66 106.23 3i8f n ARG 39 Ca 0.09 -1.92 -0.17 0.00 -1.00 0.00 0.00 57.85 54.85 3i8f n ARG 39 Cb 0.39 -0.28 -0.16 0.00 -1.05 0.00 0.00 32.46 31.36 3i8f n ARG 39 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3i8f s THR 40 N -1.61 -0.15 0.48 8.89 2.01 -1.26 -2.52 115.64 121.49 3i8f s THR 40 Ca 0.41 0.34 0.01 0.00 0.31 0.00 0.00 61.69 62.77 3i8f s THR 40 Cb -0.03 -0.20 0.01 0.00 0.01 0.00 0.00 72.50 72.29 3i8f s THR 40 CO 0.27 0.14 0.11 -2.11 -0.69 0.00 0.00 174.62 172.34 3i8f n ARG 41 N 5.00 0.84 -4.04 4.92 1.85 -0.23 -4.90 116.66 120.10 3i8f n ARG 41 Ca -0.10 -3.31 -0.32 0.00 -1.00 0.00 0.00 57.85 53.12 3i8f n ARG 41 Cb 0.50 0.73 -0.15 0.00 -1.05 0.00 0.00 32.46 32.50 3i8f n ARG 41 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 3i8f s ILE 42 N -2.62 2.26 0.03 8.89 1.09 -1.26 -0.78 121.20 128.81 3i8f s ILE 42 Ca 0.09 -1.94 -0.20 0.00 -1.10 0.00 0.00 60.65 57.49 3i8f s ILE 42 Cb -0.01 -2.49 -0.06 0.00 -1.06 0.00 0.00 42.46 38.85 3i8f s ILE 42 CO 0.05 -0.29 0.59 -1.58 -0.10 0.00 0.00 174.94 173.62 3i8f s GLN 43 N 1.02 4.28 -0.41 2.79 0.74 -0.27 -4.76 119.66 123.05 3i8f s GLN 43 Ca -0.00 0.74 -0.10 0.00 0.05 0.00 0.00 55.36 56.06 3i8f s GLN 43 Cb -0.20 -3.30 0.07 0.00 1.10 0.00 0.00 33.01 30.68 3i8f s GLN 43 CO -0.06 0.47 0.25 -0.51 -0.55 0.00 0.00 175.29 174.88 3i8f s ASP 44 N -0.53 5.66 -0.35 6.67 -0.00 -1.26 -0.02 116.67 126.84 3i8f s ASP 44 Ca 0.30 -1.39 -0.18 0.00 -0.00 0.00 0.00 52.55 51.28 3i8f s ASP 44 Cb -0.19 -2.00 -0.00 0.00 -0.00 0.00 0.00 42.92 40.73 3i8f s ASP 44 CO 0.18 -0.51 0.51 0.12 -0.00 0.00 0.00 175.17 175.48 3i8f s PHE 45 N 1.45 3.18 -0.33 4.23 5.36 -1.07 -4.91 117.98 125.90 3i8f s PHE 45 Ca 0.03 0.18 0.03 0.00 -0.96 0.00 0.00 56.93 56.20 3i8f s PHE 45 Cb -0.22 -2.92 0.09 0.00 -0.34 0.00 0.00 43.02 39.63 3i8f s PHE 45 CO 0.03 -0.54 0.03 -2.00 -1.46 0.00 0.00 175.22 171.29 3i8f s GLU 46 N 2.39 1.73 0.00 10.12 2.12 -1.26 -2.03 118.70 131.77 3i8f s GLU 46 Ca 0.19 -1.74 0.00 0.00 0.36 0.00 0.00 54.97 53.78 3i8f s GLU 46 Cb -0.15 -3.18 0.00 0.00 0.26 0.00 0.00 34.13 31.05 3i8f s GLU 46 CO 0.13 -0.86 0.00 0.41 -0.54 0.00 0.00 175.26 174.40 3i8f n GLY 47 N 4.34 4.25 3.84 -1.50 0.00 -0.97 -4.81 105.19 110.34 3i8f n GLY 47 Ca -0.01 -1.40 -0.35 0.00 0.00 0.00 0.00 46.02 44.26 3i8f n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i8f s ILE 48 N -1.76 4.77 -0.26 -0.61 1.09 -0.35 -1.32 121.20 122.77 3i8f s ILE 48 Ca 0.00 0.93 -0.28 0.00 -1.10 0.00 0.00 60.65 60.20 3i8f s ILE 48 Cb 0.00 -3.75 0.01 0.00 -1.06 0.00 0.00 42.46 37.66 3i8f s ILE 48 CO 0.00 0.18 1.02 0.54 -0.10 0.00 0.00 174.94 176.58 3i8f s VAL 49 N -1.55 4.65 -0.05 2.92 0.11 -1.14 -0.56 120.40 124.78 3i8f s VAL 49 Ca 0.41 1.87 0.05 0.00 -2.93 0.00 0.00 61.98 61.38 3i8f s VAL 49 Cb -0.15 -4.32 -0.24 0.00 -1.53 0.00 0.00 36.38 30.14 3i8f s VAL 49 CO 0.20 -0.26 0.63 -0.29 -3.33 0.00 0.00 175.10 172.05 3i8f h ILE 50 N 5.54 0.85 -1.60 7.04 6.09 -1.64 -3.03 117.51 130.76 3i8f h ILE 50 Ca -0.20 -2.64 0.06 0.00 -1.37 0.00 0.00 64.86 60.71 3i8f h ILE 50 Cb 1.06 2.50 -0.25 0.00 0.47 0.00 0.00 36.82 40.60 3i8f h ILE 50 CO 0.98 0.66 0.47 -0.60 -3.07 0.00 0.00 178.15 176.59 3i8f s ARG 51 N -2.59 0.53 -0.27 2.19 3.00 -1.25 -1.61 118.95 118.95 3i8f s ARG 51 Ca -0.10 0.50 0.01 0.00 -1.00 0.00 0.00 55.73 55.14 3i8f s ARG 51 Cb 0.08 0.26 0.08 0.00 0.00 0.00 0.00 34.95 35.36 3i8f s ARG 51 CO 0.81 -0.09 0.01 0.42 0.00 0.00 0.00 175.30 176.45 3i8f s ILE 52 N -0.06 1.40 -0.05 4.11 1.01 -1.26 -1.97 121.20 124.38 3i8f s ILE 52 Ca 0.02 -1.38 -0.26 0.00 0.00 0.00 0.00 60.65 59.03 3i8f s ILE 52 Cb -0.04 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.56 3i8f s ILE 52 CO -0.04 -0.33 0.81 0.00 0.00 0.00 0.00 174.94 175.38 3i8f s ARG 53 N 1.41 4.47 -0.15 2.79 1.70 -0.06 -4.99 118.95 124.13 3i8f s ARG 53 Ca 0.01 1.08 -0.07 0.00 -0.47 0.00 0.00 55.73 56.28 3i8f s ARG 53 Cb -0.18 -3.46 -0.04 0.00 -0.57 0.00 0.00 34.95 30.70 3i8f s ARG 53 CO -0.11 -0.00 0.09 1.03 -1.08 0.00 0.00 175.30 175.22 3i8f s ARG 54 N 0.97 3.66 -0.46 3.89 0.52 -1.26 -1.99 118.95 124.28 3i8f s ARG 54 Ca 0.43 -0.26 0.04 0.00 -0.52 0.00 0.00 55.73 55.41 3i8f s ARG 54 Cb -0.19 -3.17 0.24 0.00 0.52 0.00 0.00 34.95 32.35 3i8f s ARG 54 CO 0.21 0.53 0.94 -1.71 0.02 0.00 0.00 175.30 175.29 3i8f n ASN 55 N 2.76 -2.63 0.00 0.23 5.15 -1.26 -4.98 115.26 114.53 3i8f n ASN 55 Ca -0.18 -2.84 0.00 0.00 -0.60 0.00 0.00 54.58 50.96 3i8f n ASN 55 Cb 0.53 1.56 0.00 0.00 -0.53 0.00 0.00 39.78 41.34 3i8f n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i8f n GLY 56 N 1.89 3.21 0.00 8.20 0.00 -1.26 -3.02 105.19 114.21 3i8f n GLY 56 Ca 0.09 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3i8f n GLY 56 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i8f n PHE 57 N 14.00 0.00 -2.22 1.61 -0.00 -1.26 -3.95 117.46 125.64 3i8f n PHE 57 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.45 57.13 3i8f n PHE 57 Cb 0.00 -0.25 -0.04 0.00 -0.00 0.00 0.00 39.48 39.19 3i8f n PHE 57 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3i8f s ASN 58 N -2.17 5.58 0.07 -2.13 6.03 -1.17 -4.67 114.94 116.48 3i8f s ASN 58 Ca 0.00 -1.46 0.09 0.00 -1.03 0.00 0.00 52.86 50.46 3i8f s ASN 58 Cb 0.00 -2.58 -0.03 0.00 -3.03 0.00 0.00 41.25 35.61 3i8f s ASN 58 CO 0.00 -2.43 -0.24 0.28 -2.03 0.00 0.00 177.10 172.68 3i8f s THR 59 N 8.72 1.93 0.10 0.54 -1.32 -1.24 -4.27 115.64 120.10 3i8f s THR 59 Ca 0.63 -1.40 0.03 0.00 -1.21 0.00 0.00 61.69 59.74 3i8f s THR 59 Cb -0.02 -1.69 -0.04 0.00 -1.51 0.00 0.00 72.50 69.25 3i8f s THR 59 CO 0.05 0.21 -0.08 0.42 -2.21 0.00 0.00 174.62 173.00 3i8f s THR 60 N -0.89 0.80 0.02 5.08 -4.23 -0.84 -2.33 115.64 113.24 3i8f s THR 60 Ca 0.10 -1.76 0.01 0.00 -1.18 0.00 0.00 61.69 58.86 3i8f s THR 60 Cb -0.10 -1.47 -0.02 0.00 1.34 0.00 0.00 72.50 72.25 3i8f s THR 60 CO 0.03 -0.71 -0.04 0.72 -0.54 0.00 0.00 174.62 174.08 3i8f s PHE 61 N -2.98 0.33 0.15 3.99 -0.12 -0.80 -0.88 117.98 117.68 3i8f s PHE 61 Ca 0.08 -0.45 0.11 0.00 -0.05 0.00 0.00 56.93 56.61 3i8f s PHE 61 Cb 0.01 -0.22 -0.04 0.00 -0.63 0.00 0.00 43.02 42.13 3i8f s PHE 61 CO -0.02 -0.14 -0.26 0.95 -0.05 0.00 0.00 175.22 175.70 3i8f s THR 62 N -1.25 2.27 0.03 -4.49 -4.23 -0.83 -1.04 115.64 106.10 3i8f s THR 62 Ca -0.12 -1.85 0.07 0.00 -1.18 0.00 0.00 61.69 58.61 3i8f s THR 62 Cb -0.09 -2.03 -0.02 0.00 1.34 0.00 0.00 72.50 71.70 3i8f s THR 62 CO -0.01 0.01 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.18 3i8f s VAL 63 N -1.27 1.73 -0.02 2.29 1.01 0.76 -1.55 120.40 123.36 3i8f s VAL 63 Ca 0.16 -1.16 0.04 0.00 0.00 0.00 0.00 61.98 61.02 3i8f s VAL 63 Cb -0.09 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 3i8f s VAL 63 CO 0.07 0.28 -0.15 -0.60 0.00 0.00 0.00 175.10 174.71 3i8f s ARG 64 N -1.04 1.27 0.16 2.72 3.52 0.27 -1.59 118.95 124.26 3i8f s ARG 64 Ca 0.08 -0.54 -0.14 0.00 -0.13 0.00 0.00 55.73 55.00 3i8f s ARG 64 Cb -0.09 -1.21 0.02 0.00 -1.56 0.00 0.00 34.95 32.11 3i8f s ARG 64 CO 0.01 0.31 0.41 -1.59 -0.81 0.00 0.00 175.30 173.62 3i8f s LYS 65 N -0.28 1.21 -0.42 5.12 -2.85 -0.61 -1.21 119.74 120.69 3i8f s LYS 65 Ca 0.04 -0.91 -0.14 0.00 -1.00 0.00 0.00 55.97 53.96 3i8f s LYS 65 Cb -0.07 0.46 0.04 0.00 -2.06 0.00 0.00 37.83 36.20 3i8f s LYS 65 CO -0.00 -0.48 0.31 0.08 0.10 0.00 0.00 175.35 175.36 3i8f s VAL 66 N -3.88 5.05 -0.40 1.79 1.01 -1.26 0.12 120.40 122.83 3i8f s VAL 66 Ca 0.09 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 61.13 3i8f s VAL 66 Cb 0.01 -3.90 0.08 0.00 0.00 0.00 0.00 36.38 32.57 3i8f s VAL 66 CO -0.05 -0.40 0.22 -0.55 0.00 0.00 0.00 175.10 174.32 3i8f s SER 67 N 1.97 5.48 -0.86 3.32 0.15 0.31 -4.71 113.70 119.36 3i8f s SER 67 Ca 0.04 -1.58 -0.04 0.00 0.70 0.00 0.00 55.95 55.07 3i8f s SER 67 Cb -0.21 -1.93 -0.04 0.00 -1.71 0.00 0.00 66.02 62.13 3i8f s SER 67 CO 0.08 -0.51 0.77 -1.22 1.20 0.00 0.00 173.24 173.56 3i8f n TYR 68 N 4.82 -2.44 0.00 3.44 4.01 -1.26 -2.93 117.16 122.80 3i8f n TYR 68 Ca -0.09 0.88 0.00 0.00 -0.16 0.00 0.00 57.90 58.53 3i8f n TYR 68 Cb 0.43 -3.96 0.00 0.00 -0.31 0.00 0.00 39.34 35.50 3i8f n TYR 68 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i8f n GLY 69 N -1.42 1.78 3.94 2.72 0.00 -1.26 -4.94 105.19 106.01 3i8f n GLY 69 Ca -0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 3i8f n GLY 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i8f s VAL 70 N -0.43 5.07 0.08 1.61 1.01 -1.15 -5.09 120.40 121.50 3i8f s VAL 70 Ca 0.00 -1.08 0.01 0.00 0.00 0.00 0.00 61.98 60.91 3i8f s VAL 70 Cb 0.00 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 3i8f s VAL 70 CO 0.00 -0.33 0.21 -0.83 0.00 0.00 0.00 175.10 174.14 3i8f s GLY 71 N -3.95 2.07 0.01 4.51 0.00 -1.26 0.11 107.32 108.81 3i8f s GLY 71 Ca 0.34 -0.90 0.01 0.00 0.00 0.00 0.00 44.72 44.17 3i8f s GLY 71 CO 0.28 -0.89 -0.05 0.14 0.00 0.00 0.00 173.10 172.58 3i8f s VAL 72 N -1.54 0.38 -0.09 1.40 1.01 0.32 -4.82 120.40 117.06 3i8f s VAL 72 Ca 0.34 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 3i8f s VAL 72 Cb -0.12 -0.36 0.03 0.00 0.00 0.00 0.00 36.38 35.92 3i8f s VAL 72 CO 0.27 -0.03 -0.04 -1.61 0.00 0.00 0.00 175.10 173.69 3i8f s GLU 73 N -0.48 1.08 -0.07 2.72 2.02 -1.26 -1.57 118.70 121.15 3i8f s GLU 73 Ca -0.02 -0.10 0.05 0.00 0.02 0.00 0.00 54.97 54.93 3i8f s GLU 73 Cb -0.04 -1.25 -0.01 0.00 0.10 0.00 0.00 34.13 32.94 3i8f s GLU 73 CO -0.00 -0.25 -0.23 1.03 0.02 0.00 0.00 175.26 175.83 3i8f s ARG 74 N 1.68 2.73 -0.29 1.61 0.52 -0.62 -4.96 118.95 119.62 3i8f s ARG 74 Ca 0.02 -0.87 -0.05 0.00 -0.52 0.00 0.00 55.73 54.31 3i8f s ARG 74 Cb -0.13 -2.24 0.02 0.00 0.52 0.00 0.00 34.95 33.13 3i8f s ARG 74 CO -0.06 0.33 0.04 0.42 0.02 0.00 0.00 175.30 176.06 3i8f s ILE 75 N -0.03 3.51 0.11 1.52 1.01 -1.26 -0.17 121.20 125.88 3i8f s ILE 75 Ca -0.07 -0.96 0.06 0.00 0.00 0.00 0.00 60.65 59.68 3i8f s ILE 75 Cb -0.15 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 3i8f s ILE 75 CO 0.05 0.03 -0.05 -0.36 0.00 0.00 0.00 174.94 174.61 3i8f s PHE 76 N 1.40 2.85 -0.67 3.97 0.40 -0.21 -4.98 117.98 120.74 3i8f s PHE 76 Ca 0.00 -0.10 -0.19 0.00 -0.60 0.00 0.00 56.93 56.04 3i8f s PHE 76 Cb -0.18 -1.47 0.11 0.00 0.51 0.00 0.00 43.02 42.00 3i8f s PHE 76 CO 0.00 0.46 0.81 -2.14 0.70 0.00 0.00 175.22 175.05 3i8f s PRO 77 N -2.33 3.18 0.02 0.24 0.02 -1.26 -1.90 135.00 132.97 3i8f s PRO 77 Ca 0.24 -1.43 0.01 0.00 0.02 0.00 0.00 61.00 59.84 3i8f s PRO 77 Cb -0.11 -4.37 0.06 0.00 0.02 0.00 0.00 34.50 30.09 3i8f s PRO 77 CO 0.16 -1.59 0.06 -0.11 -0.33 0.00 0.00 177.00 175.19 3i8f n LEU 78 N 6.33 0.01 -2.58 -5.54 0.00 -0.99 0.58 117.00 114.82 3i8f n LEU 78 Ca -0.02 0.06 -0.33 0.00 0.00 0.00 0.00 56.01 55.73 3i8f n LEU 78 Cb 0.44 -0.03 0.03 0.00 0.00 0.00 0.00 43.42 43.86 3i8f n LEU 78 CO 0.56 -0.07 0.87 1.41 0.00 0.00 0.00 177.39 180.16 3i8f n HIS 79 N -2.88 3.15 -2.85 1.96 8.25 -1.26 -4.93 115.22 116.66 3i8f n HIS 79 Ca 0.02 -2.70 -0.38 0.00 -0.26 0.00 0.00 57.72 54.40 3i8f n HIS 79 Cb 0.06 -0.71 -0.06 0.00 1.12 0.00 0.00 29.99 30.40 3i8f n HIS 79 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3i8f s SER 80 N -2.39 7.35 0.09 0.41 0.15 0.20 -4.84 113.70 114.66 3i8f s SER 80 Ca 0.52 1.76 0.22 0.00 0.70 0.00 0.00 55.95 59.15 3i8f s SER 80 Cb 0.43 -2.55 0.89 0.00 -1.71 0.00 0.00 66.02 63.09 3i8f s SER 80 CO -0.23 0.02 1.69 -2.65 1.20 0.00 0.00 173.24 173.27 3i8f n PRO 81 N 0.86 0.08 -1.51 5.44 -0.02 -1.26 -3.21 135.00 135.37 3i8f n PRO 81 Ca -0.00 0.21 -0.32 0.00 -2.02 0.00 0.00 63.50 61.37 3i8f n PRO 81 Cb 0.50 -1.62 0.06 0.00 -0.02 0.00 0.00 33.50 32.42 3i8f n PRO 81 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i8f n LEU 82 N -1.77 6.99 -3.69 2.45 4.32 -1.26 -4.82 117.00 119.23 3i8f n LEU 82 Ca 0.04 -4.41 -0.29 0.00 -0.02 0.00 0.00 56.01 51.34 3i8f n LEU 82 Cb 0.27 -0.81 -0.12 0.00 -1.62 0.00 0.00 43.42 41.13 3i8f n LEU 82 CO 0.21 1.64 -0.21 -0.63 -1.22 0.00 0.00 177.39 177.18 3i8f s ILE 83 N -4.77 1.52 0.00 -0.08 1.01 -1.20 -2.02 121.20 115.66 3i8f s ILE 83 Ca 0.61 -2.98 0.00 0.00 0.00 0.00 0.00 60.65 58.28 3i8f s ILE 83 Cb 0.48 -2.04 0.00 0.00 0.01 0.00 0.00 42.46 40.92 3i8f s ILE 83 CO 0.00 -1.00 0.11 1.67 0.00 0.00 0.00 174.94 175.73 3i8f n GLN 84 N 3.02 0.00 0.00 2.79 7.27 -1.16 -4.85 117.38 124.45 3i8f n GLN 84 Ca 0.16 0.10 0.00 0.00 0.07 0.00 0.00 57.00 57.33 3i8f n GLN 84 Cb 0.38 -0.61 0.00 0.00 2.41 0.00 0.00 30.24 32.41 3i8f n GLN 84 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 3i8f n LYS 85 N -0.21 3.85 0.00 3.69 2.85 -1.25 -5.03 118.16 122.07 3i8f n LYS 85 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3i8f n LYS 85 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 3i8f n LYS 85 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 177.40 178.86 3i8f n ILE 86 N 0.00 0.00 -2.16 0.58 3.06 -1.26 -3.61 119.36 115.97 3i8f n ILE 86 Ca 0.00 0.00 -0.38 0.00 -2.50 0.00 0.00 62.75 59.87 3i8f n ILE 86 Cb 0.00 0.00 -0.00 0.00 0.54 0.00 0.00 39.64 40.18 3i8f n ILE 86 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 3i8f s ASP 87 N 0.00 6.14 0.65 9.51 2.15 -0.91 -4.73 116.67 129.48 3i8f s ASP 87 Ca 0.00 2.45 -0.09 0.00 0.43 0.00 0.00 52.55 55.33 3i8f s ASP 87 Cb 0.00 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.01 3i8f s ASP 87 CO 0.00 -0.95 1.01 0.27 -0.17 0.00 0.00 175.17 175.34 3i8f s ILE 88 N -1.43 3.78 0.00 4.11 -5.25 -1.26 -0.47 121.20 120.68 3i8f s ILE 88 Ca 0.62 0.38 0.00 0.00 -0.99 0.00 0.00 60.65 60.66 3i8f s ILE 88 Cb -0.32 -3.55 0.00 0.00 2.95 0.00 0.00 42.46 41.54 3i8f s ILE 88 CO 0.40 -0.66 0.00 1.33 -1.79 0.00 0.00 174.94 174.22 3i8f n VAL 89 N -2.81 0.00 -3.82 8.37 0.24 -0.73 -4.72 118.33 114.86 3i8f n VAL 89 Ca 0.06 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.30 3i8f n VAL 89 Cb 0.57 -0.38 -0.02 0.00 -1.47 0.00 0.00 33.84 32.54 3i8f n VAL 89 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3i8f s GLN 90 N -1.54 1.59 -0.06 7.34 2.00 -0.95 -5.01 119.66 123.03 3i8f s GLN 90 Ca 0.00 -0.88 -0.05 0.00 -2.00 0.00 0.00 55.36 52.43 3i8f s GLN 90 Cb 0.00 0.54 0.02 0.00 0.80 0.00 0.00 33.01 34.38 3i8f s GLN 90 CO 0.00 -0.73 0.16 1.03 -0.50 0.00 0.00 175.29 175.25 3i8f s ARG 91 N -3.71 0.17 0.13 1.67 0.52 -1.26 -1.23 118.95 115.23 3i8f s ARG 91 Ca 0.11 0.27 0.01 0.00 -0.52 0.00 0.00 55.73 55.61 3i8f s ARG 91 Cb -0.04 0.02 -0.04 0.00 0.52 0.00 0.00 34.95 35.40 3i8f s ARG 91 CO 0.05 -0.06 -0.01 0.20 0.02 0.00 0.00 175.30 175.50 3i8f s GLY 92 N 0.39 0.94 -0.02 -3.53 0.00 -1.26 0.12 107.32 103.96 3i8f s GLY 92 Ca -0.03 -1.45 -0.30 0.00 0.00 0.00 0.00 44.72 42.95 3i8f s GLY 92 CO -0.02 -1.45 1.09 0.50 0.00 0.00 0.00 173.10 173.23 3i8f s ARG 93 N -3.92 4.45 0.01 2.90 0.52 -1.26 -3.63 118.95 118.02 3i8f s ARG 93 Ca 0.18 1.56 -0.13 0.00 -0.52 0.00 0.00 55.73 56.82 3i8f s ARG 93 Cb 0.06 -3.47 -0.34 0.00 0.52 0.00 0.00 34.95 31.72 3i8f s ARG 93 CO -0.01 -0.25 0.90 0.00 0.02 0.00 0.00 175.30 175.95 3i8f h ALA 94 N 7.03 -0.04 0.00 2.13 0.00 -1.90 -3.42 119.26 123.06 3i8f h ALA 94 Ca -0.37 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 53.58 3i8f h ALA 94 Cb 1.19 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3i8f h ALA 94 CO 0.82 0.83 0.00 -2.13 0.00 0.00 0.00 179.25 178.77 3i8f n ARG 95 N -3.66 0.00 -3.83 0.00 3.00 -1.26 -4.79 116.66 106.12 3i8f n ARG 95 Ca -0.19 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.54 3i8f n ARG 95 Cb 1.09 -2.99 -0.09 0.00 0.00 0.00 0.00 32.46 30.47 3i8f n ARG 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 3i8f s ARG 96 N 0.00 0.60 0.00 -0.14 3.52 -1.26 -5.13 118.95 116.54 3i8f s ARG 96 Ca 0.00 -0.41 0.00 0.00 -0.13 0.00 0.00 55.73 55.19 3i8f s ARG 96 Cb 0.00 0.26 0.00 0.00 -1.56 0.00 0.00 34.95 33.65 3i8f s ARG 96 CO 0.00 -0.16 0.00 0.00 -0.81 0.00 0.00 175.30 174.33 3i8f n ALA 97 N 1.17 0.00 -2.19 6.12 0.00 -1.26 -4.66 120.51 119.69 3i8f n ALA 97 Ca -0.21 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.80 3i8f n ALA 97 Cb 0.57 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.99 3i8f n ALA 97 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3i8f s LYS 98 N 0.00 4.20 -0.71 0.00 3.01 -1.26 -4.80 119.74 120.18 3i8f s LYS 98 Ca 0.00 1.96 0.03 0.00 -1.01 0.00 0.00 55.97 56.95 3i8f s LYS 98 Cb 0.00 -3.89 0.33 0.00 -1.01 0.00 0.00 37.83 33.26 3i8f s LYS 98 CO 0.00 -0.79 1.17 1.47 0.51 0.00 0.00 175.35 177.71 3i8f n LEU 99 N 6.92 5.23 0.17 3.17 -0.00 -0.63 -4.79 117.00 127.07 3i8f n LEU 99 Ca 0.16 -5.58 0.05 0.00 -0.00 0.00 0.00 56.01 50.63 3i8f n LEU 99 Cb 0.44 -0.74 0.50 0.00 -0.00 0.00 0.00 43.42 43.62 3i8f n LEU 99 CO 0.60 2.24 0.99 1.88 -0.00 0.00 0.00 177.39 183.10 3i8f h TYR 100 N 3.44 0.15 -0.90 1.47 -1.99 -1.92 -3.18 116.97 114.04 3i8f h TYR 100 Ca 0.24 -0.01 0.24 0.00 2.00 0.00 0.00 58.73 61.21 3i8f h TYR 100 Cb 0.47 -0.05 -0.15 0.00 2.00 0.00 0.00 36.73 39.00 3i8f h TYR 100 CO 0.96 0.20 0.15 0.27 -0.00 0.00 0.00 178.16 179.74 3i8f h PHE 101 N 0.15 0.19 -1.42 4.88 -0.00 -1.95 -2.10 116.94 116.69 3i8f h PHE 101 Ca 0.03 0.06 0.41 0.00 -0.00 0.00 0.00 57.97 58.47 3i8f h PHE 101 Cb 0.18 0.06 -0.06 0.00 -0.00 0.00 0.00 35.95 36.13 3i8f h PHE 101 CO 0.00 -0.30 1.02 -0.84 -0.00 0.00 0.00 178.31 178.20 3i8f h ILE 102 N 0.12 0.29 0.00 0.88 -0.00 -1.79 -2.91 117.51 114.10 3i8f h ILE 102 Ca 0.56 -0.00 0.00 0.00 -0.00 0.00 0.00 64.86 65.42 3i8f h ILE 102 Cb 1.14 0.28 0.00 0.00 -0.00 0.00 0.00 36.82 38.24 3i8f h ILE 102 CO -0.74 0.00 0.00 0.54 -0.00 0.00 0.00 178.15 177.95 3i8f n ARG 103 N -4.12 0.00 -0.32 0.16 1.74 -0.79 -2.35 116.66 110.98 3i8f n ARG 103 Ca 0.31 0.12 0.25 0.00 -0.77 0.00 0.00 57.85 57.77 3i8f n ARG 103 Cb 1.47 -1.05 0.41 0.00 -1.02 0.00 0.00 32.46 32.27 3i8f n ARG 103 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3i8f n ASN 104 N -0.73 0.06 -3.35 0.55 3.02 -1.10 -3.01 115.26 110.71 3i8f n ASN 104 Ca 0.00 0.66 -0.14 0.00 -0.03 0.00 0.00 54.58 55.08 3i8f n ASN 104 Cb 0.00 -0.33 -0.08 0.00 -0.61 0.00 0.00 39.78 38.77 3i8f n ASN 104 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3i8f s LEU 105 N -6.89 -0.44 0.10 3.41 0.20 -1.16 -5.14 118.68 108.76 3i8f s LEU 105 Ca -0.03 -0.76 0.02 0.00 0.69 0.00 0.00 54.13 54.05 3i8f s LEU 105 Cb 0.16 0.77 -0.04 0.00 -0.43 0.00 0.00 46.19 46.65 3i8f s LEU 105 CO 0.47 -0.35 -0.06 -0.94 -0.29 0.00 0.00 176.35 175.17 3i8f s SER 106 N 2.27 1.13 0.00 3.68 1.04 -0.99 -4.57 113.70 116.25 3i8f s SER 106 Ca 0.11 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.52 3i8f s SER 106 Cb -0.13 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.09 3i8f s SER 106 CO -0.27 -0.47 0.00 -0.90 0.98 0.00 0.00 173.24 172.58 3i8f n ASP 107 N -0.05 0.00 -1.08 7.02 5.75 -1.26 -4.76 116.55 122.17 3i8f n ASP 107 Ca -0.12 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 54.73 3i8f n ASP 107 Cb 0.61 0.00 0.24 0.00 -1.03 0.00 0.00 41.12 40.94 3i8f n ASP 107 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3i8f n ARG 108 N 0.00 2.59 -0.11 0.11 0.63 -1.26 -3.59 116.66 115.03 3i8f n ARG 108 Ca 0.00 -1.91 -0.21 0.00 -0.92 0.00 0.00 57.85 54.81 3i8f n ARG 108 Cb 0.00 -1.57 -0.09 0.00 0.45 0.00 0.00 32.46 31.25 3i8f n ARG 108 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3i8f n GLU 109 N 0.83 0.50 0.09 -0.14 -0.58 -1.26 -3.94 120.64 116.14 3i8f n GLU 109 Ca 0.17 0.18 0.20 0.00 -0.42 0.00 0.00 57.16 57.30 3i8f n GLU 109 Cb 0.56 -1.36 0.73 0.00 -0.57 0.00 0.00 31.44 30.80 3i8f n GLU 109 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 3i8f h ILE 110 N -0.51 0.33 0.22 -3.67 2.10 -1.81 0.50 117.51 114.67 3i8f h ILE 110 Ca -0.54 0.00 -0.33 0.00 1.08 0.00 0.00 64.86 65.07 3i8f h ILE 110 Cb 1.60 0.61 0.03 0.00 -1.09 0.00 0.00 36.82 37.96 3i8f h ILE 110 CO -0.25 0.00 -1.49 0.03 -1.08 0.00 0.00 178.15 175.36 3i8f h ARG 111 N 0.00 0.46 -0.84 2.19 3.08 -1.75 -2.21 114.38 115.32 3i8f h ARG 111 Ca 0.20 -0.79 -0.00 0.00 0.07 0.00 0.00 59.98 59.46 3i8f h ARG 111 Cb 1.17 0.29 -0.04 0.00 0.08 0.00 0.00 29.97 31.47 3i8f h ARG 111 CO -0.00 1.37 0.52 -0.09 -1.07 0.00 0.00 179.97 180.70 3i8f h ARG 112 N 0.13 1.13 0.05 0.04 2.43 -0.19 -2.97 114.38 115.00 3i8f h ARG 112 Ca -0.25 -0.09 -0.24 0.00 -0.81 0.00 0.00 59.98 58.59 3i8f h ARG 112 Cb 2.12 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 31.43 3i8f h ARG 112 CO 0.24 0.77 -1.06 0.87 -1.51 0.00 0.00 179.97 179.29 3i8f h LYS 113 N 1.15 0.33 -2.40 0.20 6.56 -1.23 -3.36 116.57 117.82 3i8f h LYS 113 Ca 0.30 -0.43 -0.68 0.00 -1.06 0.00 0.00 60.65 58.79 3i8f h LYS 113 Cb -0.08 0.14 -0.36 0.00 -0.57 0.00 0.00 32.23 31.36 3i8f h LYS 113 CO -0.06 1.14 -0.01 1.28 -2.06 0.00 0.00 179.45 179.73 3i8f n LEU 114 N -3.65 5.15 0.00 2.94 4.77 -0.83 -4.82 117.00 120.56 3i8f n LEU 114 Ca -0.07 -5.44 0.00 0.00 -0.03 0.00 0.00 56.01 50.47 3i8f n LEU 114 Cb 0.91 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3i8f n LEU 114 CO 0.52 2.04 0.20 -2.11 -1.33 0.00 0.00 177.39 176.71 3i8f n ARG 115 N 0.56 0.00 0.00 3.23 0.00 -1.17 -4.74 116.66 114.54 3i8f n ARG 115 Ca 0.32 0.20 0.00 0.00 -0.00 0.00 0.00 57.85 58.37 3i8f n ARG 115 Cb 0.36 -0.89 0.00 0.00 -0.00 0.00 0.00 32.46 31.93 3i8f n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i8f n ALA 116 N -1.23 0.00 -1.19 2.89 0.00 -1.26 -4.81 120.51 114.91 3i8f n ALA 116 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 3i8f n ALA 116 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3i8f n ALA 116 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i8f n ASP 117 N 0.00 4.01 0.00 0.00 4.64 0.12 -4.60 116.55 120.72 3i8f n ASP 117 Ca 0.00 -2.62 0.00 0.00 -1.38 0.00 0.00 54.79 50.79 3i8f n ASP 117 Cb 0.00 -1.27 0.00 0.00 -1.04 0.00 0.00 41.12 38.81 3i8f n ASP 117 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3i8f n ARG 118 N 5.78 0.00 0.04 -0.67 1.74 -1.26 -0.87 116.66 121.42 3i8f n ARG 118 Ca 0.52 0.41 -0.12 0.00 -0.77 0.00 0.00 57.85 57.89 3i8f n ARG 118 Cb 0.32 -1.51 -0.09 0.00 -1.02 0.00 0.00 32.46 30.17 3i8f n ARG 118 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3i8f h LYS 119 N 0.00 -0.16 0.00 5.56 3.64 -1.96 -2.87 116.57 120.78 3i8f h LYS 119 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3i8f h LYS 119 Cb 0.01 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3i8f h LYS 119 CO 0.00 0.32 0.00 0.00 -2.27 0.00 0.00 179.45 177.50 3i8f h ARG 120 N -0.78 0.00 0.48 1.90 3.08 -1.40 -3.06 114.38 114.60 3i8f h ARG 120 Ca -0.02 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3i8f h ARG 120 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3i8f h ARG 120 CO 0.03 0.00 -0.23 0.82 -1.07 0.00 0.00 179.97 179.51 3i8f h ILE 121 N 0.00 0.14 -1.01 2.04 2.04 -1.18 -3.13 117.51 116.42 3i8f h ILE 121 Ca 0.00 -0.54 0.22 0.00 1.00 0.00 0.00 64.86 65.54 3i8f h ILE 121 Cb 0.75 0.22 -0.11 0.00 -0.74 0.00 0.00 36.82 36.94 3i8f h ILE 121 CO 0.00 0.03 0.61 0.44 0.00 0.00 0.00 178.15 179.23 3i8f h ASP 122 N -1.12 0.70 0.00 1.72 3.32 -1.57 0.79 116.42 120.26 3i8f h ASP 122 Ca -0.07 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3i8f h ASP 122 Cb 0.55 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3i8f h ASP 122 CO 0.11 0.18 0.00 0.00 -1.72 0.00 0.00 179.24 177.81 3i8f n GLN 123 N -4.79 0.12 -0.03 3.56 6.02 -1.16 -0.74 117.38 120.37 3i8f n GLN 123 Ca 0.25 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 57.19 3i8f n GLN 123 Cb 0.68 -1.45 -0.02 0.00 1.02 0.00 0.00 30.24 30.47 3i8f n GLN 123 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3i8f n ASP 124 N -0.95 1.55 0.33 1.08 9.92 0.27 -3.61 116.55 125.16 3i8f n ASP 124 Ca 0.03 0.24 0.13 0.00 -0.53 0.00 0.00 54.79 54.66 3i8f n ASP 124 Cb 0.01 -0.56 0.70 0.00 -0.64 0.00 0.00 41.12 40.64 3i8f n ASP 124 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 3i8f h ARG 125 N -0.54 0.00 0.00 -1.24 2.47 -1.19 0.42 114.38 114.31 3i8f h ARG 125 Ca 0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 3i8f h ARG 125 Cb 0.54 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.86 3i8f h ARG 125 CO 0.00 0.00 -0.28 0.00 0.56 0.00 0.00 179.97 180.25 3i8f h ALA 126 N 1.15 0.02 0.00 0.04 0.00 -1.15 -2.83 119.26 116.49 3i8f h ALA 126 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3i8f h ALA 126 Cb 0.85 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3i8f h ALA 126 CO 0.00 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.48 3i8f n ALA 127 N -3.11 2.01 -0.07 0.00 0.00 0.03 -2.46 120.51 116.91 3i8f n ALA 127 Ca -0.06 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.22 3i8f n ALA 127 Cb 0.20 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.60 3i8f n ALA 127 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i8f n GLU 128 N -0.39 0.31 0.03 0.00 1.02 0.13 -4.34 120.64 117.39 3i8f n GLU 128 Ca 0.00 0.14 -0.02 0.00 -0.02 0.00 0.00 57.16 57.26 3i8f n GLU 128 Cb 0.02 -1.02 -0.01 0.00 -0.02 0.00 0.00 31.44 30.41 3i8f n GLU 128 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i8f h ARG 129 N -0.53 -0.10 0.00 3.49 3.08 -1.24 -3.08 114.38 116.00 3i8f h ARG 129 Ca -0.37 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.69 3i8f h ARG 129 Cb 1.31 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.38 3i8f h ARG 129 CO -0.22 -0.07 -0.03 0.00 -1.07 0.00 0.00 179.97 178.58 3i8f h ALA 130 N -1.75 1.27 0.08 0.04 0.00 -1.74 -3.04 119.26 114.13 3i8f h ALA 130 Ca -0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3i8f h ALA 130 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3i8f h ALA 130 CO 0.02 0.04 -0.04 0.00 0.00 0.00 0.00 179.25 179.26 3i8f h ALA 131 N 1.97 -0.11 -0.64 0.00 0.00 -1.68 -3.34 119.26 115.45 3i8f h ALA 131 Ca -0.00 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 3i8f h ALA 131 Cb 0.11 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3i8f h ALA 131 CO 0.00 -0.27 0.09 0.87 0.00 0.00 0.00 179.25 179.95 3i8f h LYS 132 N -0.70 1.07 0.00 0.00 1.57 -1.43 -2.50 116.57 114.57 3i8f h LYS 132 Ca -0.01 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3i8f h LYS 132 Cb 0.56 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3i8f h LYS 132 CO 0.02 0.99 0.00 -0.85 -0.57 0.00 0.00 179.45 179.04 3i8f n GLU 133 N -4.21 0.47 -2.20 3.15 0.28 -1.19 -3.86 120.64 113.08 3i8f n GLU 133 Ca 0.04 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.64 3i8f n GLU 133 Cb 0.30 -1.38 -0.02 0.00 1.43 0.00 0.00 31.44 31.77 3i8f n GLU 133 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3i8f n GLU 134 N -0.88 2.72 -3.11 3.44 4.07 -0.94 -4.28 120.64 121.66 3i8f n GLU 134 Ca 0.08 -2.89 -0.08 0.00 -0.06 0.00 0.00 57.16 54.22 3i8f n GLU 134 Cb 0.04 -3.45 0.04 0.00 -0.06 0.00 0.00 31.44 28.00 3i8f n GLU 134 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3i8f n ALA 135 N 8.89 -2.45 -1.23 4.31 0.00 -1.26 -4.95 120.51 123.82 3i8f n ALA 135 Ca 0.49 0.07 0.00 0.00 0.00 0.00 0.00 53.44 54.00 3i8f n ALA 135 Cb 0.44 -3.75 0.00 0.00 0.00 0.00 0.00 19.45 16.14 3i8f n ALA 135 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3i8f n GLN 136 N -2.53 0.00 0.00 0.00 7.27 -1.25 -5.15 117.38 115.72 3i8f n GLN 136 Ca -0.04 -0.25 0.00 0.00 0.07 0.00 0.00 57.00 56.78 3i8f n GLN 136 Cb 0.56 -0.38 0.00 0.00 2.41 0.00 0.00 30.24 32.83 3i8f n GLN 136 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76