#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8i n LYS 3 N 0.00 3.57 -4.86 4.33 4.81 -1.26 -4.85 118.16 119.90 3i8i n LYS 3 Ca 0.00 -2.48 -0.25 0.00 -0.87 0.00 0.00 58.31 54.70 3i8i n LYS 3 Cb 0.00 -2.92 -0.16 0.00 0.02 0.00 0.00 35.03 31.98 3i8i n LYS 3 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3i8i s VAL 4 N 2.05 1.42 0.07 3.15 0.11 -1.26 -3.82 120.40 122.12 3i8i s VAL 4 Ca 0.61 -0.75 -0.31 0.00 -2.93 0.00 0.00 61.98 58.60 3i8i s VAL 4 Cb 0.17 -1.20 -0.08 0.00 -1.53 0.00 0.00 36.38 33.74 3i8i s VAL 4 CO -0.07 0.41 1.66 0.00 -3.33 0.00 0.00 175.10 173.76 3i8i h GLU 6 N 8.37 0.00 0.00 0.00 5.08 -1.66 0.73 114.58 127.11 3i8i h GLU 6 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3i8i h GLU 6 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3i8i h GLU 6 CO 0.93 0.14 -0.24 -0.89 -1.00 0.00 0.00 179.01 177.96 3i8i n ILE 7 N -3.77 0.52 0.24 3.13 5.41 -1.26 -4.53 119.36 119.09 3i8i n ILE 7 Ca -0.02 0.39 0.12 0.00 1.00 0.00 0.00 62.75 64.24 3i8i n ILE 7 Cb 0.25 -1.82 0.53 0.00 -0.71 0.00 0.00 39.64 37.89 3i8i n ILE 7 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 3i8i h SER 8 N -0.36 0.00 0.00 4.38 4.64 -1.93 -3.46 113.55 116.82 3i8i h SER 8 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i8i h SER 8 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3i8i h SER 8 CO 0.00 0.16 0.00 0.61 -0.87 0.00 0.00 176.83 176.73 3i8i n GLY 9 N 0.08 1.96 3.63 -0.77 0.00 0.25 -4.99 105.19 105.35 3i8i n GLY 9 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3i8i n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i8i n LYS 10 N -2.00 1.66 -4.14 1.61 5.02 -1.26 -4.54 118.16 114.52 3i8i n LYS 10 Ca 0.00 0.58 -0.13 0.00 -2.02 0.00 0.00 58.31 56.75 3i8i n LYS 10 Cb 0.00 -2.07 -0.11 0.00 -0.02 0.00 0.00 35.03 32.84 3i8i n LYS 10 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3i8i s ARG 11 N -1.42 0.74 0.38 1.97 1.70 -1.26 -1.14 118.95 119.92 3i8i s ARG 11 Ca 0.60 -1.10 -0.25 0.00 -0.47 0.00 0.00 55.73 54.51 3i8i s ARG 11 Cb -0.67 -0.33 -0.12 0.00 -0.57 0.00 0.00 34.95 33.26 3i8i s ARG 11 CO 0.59 0.03 0.95 -0.35 -1.08 0.00 0.00 175.30 175.44 3i8i n PRO 12 N 0.62 1.25 -4.47 3.89 -0.04 -1.25 -4.73 135.00 130.27 3i8i n PRO 12 Ca -0.17 0.45 -0.26 0.00 -0.04 0.00 0.00 63.50 63.48 3i8i n PRO 12 Cb 0.58 -1.91 -0.10 0.00 -0.04 0.00 0.00 33.50 32.03 3i8i n PRO 12 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3i8i s ILE 13 N -1.23 2.21 -0.11 0.52 -4.36 0.02 -4.91 121.20 113.34 3i8i s ILE 13 Ca 0.62 -1.99 -0.02 0.00 -0.26 0.00 0.00 60.65 58.99 3i8i s ILE 13 Cb -0.61 -2.88 -0.03 0.00 1.25 0.00 0.00 42.46 40.18 3i8i s ILE 13 CO 0.58 -0.08 -0.01 -0.69 0.24 0.00 0.00 174.94 174.98 3i8i s VAL 14 N -2.64 4.23 0.03 8.37 1.01 -1.26 0.45 120.40 130.59 3i8i s VAL 14 Ca 0.35 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 3i8i s VAL 14 Cb 0.06 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 3i8i s VAL 14 CO 0.19 0.57 -0.01 0.00 0.00 0.00 0.00 175.10 175.85 3i8i s ALA 15 N -0.54 0.23 0.02 5.51 0.00 0.24 -4.91 121.76 122.31 3i8i s ALA 15 Ca 0.09 -0.81 -0.18 0.00 0.00 0.00 0.00 51.96 51.06 3i8i s ALA 15 Cb -0.12 0.21 -0.06 0.00 0.00 0.00 0.00 23.12 23.15 3i8i s ALA 15 CO 0.02 -0.26 0.52 -0.80 0.00 0.00 0.00 175.76 175.24 3i8i s ASN 16 N -2.09 6.93 -0.26 0.00 0.01 -1.26 -0.54 114.94 117.74 3i8i s ASN 16 Ca -0.06 1.11 -0.13 0.00 -0.71 0.00 0.00 52.86 53.07 3i8i s ASN 16 Cb -0.02 -2.32 -0.04 0.00 0.41 0.00 0.00 41.25 39.27 3i8i s ASN 16 CO -0.05 0.22 0.27 -0.55 -1.51 0.00 0.00 177.10 175.48 3i8i s SER 17 N -0.71 6.16 -0.19 -1.22 0.15 0.37 -4.89 113.70 113.37 3i8i s SER 17 Ca 0.28 0.17 -0.02 0.00 0.70 0.00 0.00 55.95 57.08 3i8i s SER 17 Cb -0.18 -2.16 -0.00 0.00 -1.71 0.00 0.00 66.02 61.97 3i8i s SER 17 CO 0.16 -0.07 -0.11 -0.63 1.20 0.00 0.00 173.24 173.79 3i8i s ILE 18 N 1.67 2.94 -0.34 6.45 1.01 -1.26 -1.29 121.20 130.38 3i8i s ILE 18 Ca 0.11 -0.66 -0.14 0.00 0.00 0.00 0.00 60.65 59.96 3i8i s ILE 18 Cb -0.15 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.02 3i8i s ILE 18 CO 0.09 0.48 0.32 -1.10 0.00 0.00 0.00 174.94 174.73 3i8i s GLN 19 N 1.13 3.54 0.27 2.79 -1.52 0.28 -4.97 119.66 121.17 3i8i s GLN 19 Ca 0.01 -0.49 0.10 0.00 -1.95 0.00 0.00 55.36 53.02 3i8i s GLN 19 Cb -0.14 -3.81 -0.04 0.00 -0.22 0.00 0.00 33.01 28.80 3i8i s GLN 19 CO -0.03 -0.50 -0.00 1.03 -0.25 0.00 0.00 175.29 175.53 3i8i s ARG 20 N 1.92 2.29 0.28 2.91 0.52 -1.26 0.19 118.95 125.80 3i8i s ARG 20 Ca 0.10 -1.43 0.03 0.00 -0.52 0.00 0.00 55.73 53.91 3i8i s ARG 20 Cb -0.17 -2.16 -0.03 0.00 0.52 0.00 0.00 34.95 33.12 3i8i s ARG 20 CO 0.11 0.36 0.24 1.03 0.02 0.00 0.00 175.30 177.06 3i8i s ARG 21 N -3.68 1.55 0.00 3.54 0.52 -0.19 -4.83 118.95 115.87 3i8i s ARG 21 Ca 0.32 -1.83 0.00 0.00 -0.52 0.00 0.00 55.73 53.69 3i8i s ARG 21 Cb -0.06 0.32 0.00 0.00 0.52 0.00 0.00 34.95 35.72 3i8i s ARG 21 CO 0.20 -0.56 0.00 0.41 0.02 0.00 0.00 175.30 175.37 3i8i n GLY 22 N -0.48 -0.75 3.80 -3.53 0.00 -1.26 -1.76 105.19 101.21 3i8i n GLY 22 Ca 0.05 -1.70 -0.37 0.00 0.00 0.00 0.00 46.02 44.00 3i8i n GLY 22 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i8i s LYS 23 N -1.69 3.96 0.36 1.61 2.20 -1.25 -4.78 119.74 120.15 3i8i s LYS 23 Ca 0.00 0.16 -0.25 0.00 -0.36 0.00 0.00 55.97 55.52 3i8i s LYS 23 Cb 0.00 -3.30 -0.13 0.00 -1.51 0.00 0.00 37.83 32.89 3i8i s LYS 23 CO 0.00 0.51 0.82 0.00 -0.36 0.00 0.00 175.35 176.32 3i8i n ALA 24 N 2.61 -0.77 0.27 3.13 0.00 -1.26 -2.11 120.51 122.39 3i8i n ALA 24 Ca -0.14 0.28 0.13 0.00 0.00 0.00 0.00 53.44 53.71 3i8i n ALA 24 Cb 0.53 -1.92 0.78 0.00 0.00 0.00 0.00 19.45 18.84 3i8i n ALA 24 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3i8i h LYS 25 N 1.40 0.00 -0.00 0.00 3.64 -1.84 -0.85 116.57 118.91 3i8i h LYS 25 Ca -0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 3i8i h LYS 25 Cb 1.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 3i8i h LYS 25 CO 0.56 0.08 -0.10 2.89 -2.27 0.00 0.00 179.45 180.61 3i8i n ARG 26 N -3.72 0.55 -0.60 1.90 1.85 -1.26 -3.29 116.66 112.08 3i8i n ARG 26 Ca -0.02 -0.16 0.02 0.00 -1.00 0.00 0.00 57.85 56.69 3i8i n ARG 26 Cb 0.19 -1.50 0.22 0.00 -1.05 0.00 0.00 32.46 30.32 3i8i n ARG 26 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3i8i n GLU 27 N -1.09 2.31 -0.03 2.89 1.02 -0.59 -4.91 120.64 120.25 3i8i n GLU 27 Ca 0.13 -2.99 0.00 0.00 -0.02 0.00 0.00 57.16 54.28 3i8i n GLU 27 Cb 0.28 -1.82 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 3i8i n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i8i n GLY 28 N -0.86 1.40 3.76 0.62 0.00 -1.21 -4.88 105.19 104.02 3i8i n GLY 28 Ca 0.27 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.99 3i8i n GLY 28 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i8i s GLY 29 N -1.97 1.63 0.36 -0.02 0.00 -0.43 -4.91 107.32 101.98 3i8i s GLY 29 Ca 0.00 -0.06 0.13 0.00 0.00 0.00 0.00 44.72 44.78 3i8i s GLY 29 CO 0.00 0.37 1.79 -0.39 0.00 0.00 0.00 173.10 174.88 3i8i h VAL 30 N -1.28 1.27 0.00 1.40 -1.51 -1.81 -3.36 116.25 110.95 3i8i h VAL 30 Ca -0.47 -1.40 0.00 0.00 -1.23 0.00 0.00 66.70 63.59 3i8i h VAL 30 Cb 1.27 1.76 0.00 0.00 -2.13 0.00 0.00 31.29 32.19 3i8i h VAL 30 CO 0.56 0.40 0.00 0.61 -1.23 0.00 0.00 177.57 177.91 3i8i n GLY 31 N -0.34 2.71 3.85 5.19 0.00 -0.90 -4.70 105.19 111.01 3i8i n GLY 31 Ca -0.02 -1.84 -0.32 0.00 0.00 0.00 0.00 46.02 43.84 3i8i n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8i s LYS 32 N -1.81 3.95 -0.03 1.61 -0.14 -1.25 -3.84 119.74 118.24 3i8i s LYS 32 Ca 0.00 0.58 0.04 0.00 -1.36 0.00 0.00 55.97 55.23 3i8i s LYS 32 Cb 0.00 -2.47 -0.00 0.00 -1.68 0.00 0.00 37.83 33.67 3i8i s LYS 32 CO 0.00 0.18 -0.13 0.15 -0.76 0.00 0.00 175.35 174.79 3i8i s LYS 33 N -2.97 1.30 -0.39 1.68 -0.14 -0.72 -4.92 119.74 113.58 3i8i s LYS 33 Ca 0.53 -0.46 -0.26 0.00 -1.36 0.00 0.00 55.97 54.41 3i8i s LYS 33 Cb -0.10 -1.19 0.02 0.00 -1.68 0.00 0.00 37.83 34.88 3i8i s LYS 33 CO 0.18 0.21 0.97 0.99 -0.76 0.00 0.00 175.35 176.94 3i8i s THR 34 N 0.00 4.52 0.04 2.17 2.01 -1.26 -1.02 115.64 122.11 3i8i s THR 34 Ca -0.01 1.20 0.09 0.00 0.31 0.00 0.00 61.69 63.28 3i8i s THR 34 Cb -0.09 -4.39 -0.16 0.00 0.01 0.00 0.00 72.50 67.88 3i8i s THR 34 CO 0.01 -0.62 1.21 0.71 -0.69 0.00 0.00 174.62 175.24 3i8i h THR 35 N 5.89 1.41 -1.91 -0.82 1.35 0.17 -3.48 112.91 115.52 3i8i h THR 35 Ca -0.23 -3.07 -0.03 0.00 -0.55 0.00 0.00 66.41 62.54 3i8i h THR 35 Cb 1.07 2.69 -0.21 0.00 -1.73 0.00 0.00 68.15 69.97 3i8i h THR 35 CO 1.01 0.80 0.24 -0.83 -0.25 0.00 0.00 175.52 176.49 3i8i s GLY 36 N -4.72 -0.49 -0.05 5.82 0.00 -1.03 -4.98 107.32 101.87 3i8i s GLY 36 Ca 0.01 1.78 0.01 0.00 0.00 0.00 0.00 44.72 46.51 3i8i s GLY 36 CO 0.81 1.32 -0.06 -0.42 0.00 0.00 0.00 173.10 174.75 3i8i s ILE 37 N -0.50 0.69 0.06 0.90 1.01 -1.26 0.10 121.20 122.19 3i8i s ILE 37 Ca -0.05 -0.20 -0.14 0.00 0.00 0.00 0.00 60.65 60.27 3i8i s ILE 37 Cb -0.02 -0.70 0.02 0.00 0.01 0.00 0.00 42.46 41.77 3i8i s ILE 37 CO 0.04 0.26 0.31 -0.94 0.00 0.00 0.00 174.94 174.62 3i8i s SER 38 N 0.97 -0.12 0.57 3.58 1.04 -0.41 -4.93 113.70 114.40 3i8i s SER 38 Ca -0.10 -0.24 -0.17 0.00 0.48 0.00 0.00 55.95 55.93 3i8i s SER 38 Cb -0.14 0.37 -0.05 0.00 0.10 0.00 0.00 66.02 66.30 3i8i s SER 38 CO 0.00 -0.65 1.05 -0.54 0.98 0.00 0.00 173.24 174.08 3i8i s LYS 39 N -2.78 3.45 -0.24 4.02 1.02 -1.26 0.14 119.74 124.09 3i8i s LYS 39 Ca -0.03 1.21 -0.26 0.00 0.02 0.00 0.00 55.97 56.90 3i8i s LYS 39 Cb -0.00 -2.05 0.11 0.00 -0.52 0.00 0.00 37.83 35.36 3i8i s LYS 39 CO -0.05 -0.70 0.92 -0.98 -0.92 0.00 0.00 175.35 173.62 3i8i s ARG 40 N -3.94 0.65 0.40 1.68 1.70 0.30 -4.80 118.95 114.94 3i8i s ARG 40 Ca 0.64 0.58 -0.10 0.00 -0.47 0.00 0.00 55.73 56.38 3i8i s ARG 40 Cb -0.16 0.31 -0.06 0.00 -0.57 0.00 0.00 34.95 34.48 3i8i s ARG 40 CO 0.34 -0.12 0.76 1.03 -1.08 0.00 0.00 175.30 176.23 3i8i s ARG 41 N -0.09 3.78 -0.18 3.89 1.81 -1.26 0.80 118.95 127.69 3i8i s ARG 41 Ca 0.00 0.46 0.00 0.00 -1.72 0.00 0.00 55.73 54.47 3i8i s ARG 41 Cb -0.04 -2.40 0.01 0.00 -0.45 0.00 0.00 34.95 32.07 3i8i s ARG 41 CO -0.02 -0.02 -0.17 -0.65 -0.68 0.00 0.00 175.30 173.76 3i8i s GLN 42 N -3.81 3.08 0.17 3.54 -0.21 0.17 -4.84 119.66 117.77 3i8i s GLN 42 Ca 0.51 -0.79 -0.01 0.00 0.02 0.00 0.00 55.36 55.09 3i8i s GLN 42 Cb -0.10 -2.64 -0.04 0.00 1.00 0.00 0.00 33.01 31.23 3i8i s GLN 42 CO 0.31 -0.17 0.36 0.71 -2.12 0.00 0.00 175.29 174.38 3i8i s TYR 43 N 1.24 3.49 0.87 0.91 1.51 -1.26 -0.80 117.35 123.30 3i8i s TYR 43 Ca 0.03 0.36 -0.12 0.00 -1.01 0.00 0.00 57.07 56.33 3i8i s TYR 43 Cb -0.14 -1.86 0.11 0.00 -0.11 0.00 0.00 41.96 39.97 3i8i s TYR 43 CO -0.09 0.43 1.10 -1.25 -1.11 0.00 0.00 175.55 174.63 3i8i s PRO 44 N -3.08 1.47 -1.41 -1.71 0.04 -1.26 -4.88 135.00 124.17 3i8i s PRO 44 Ca 0.38 0.60 -0.09 0.00 0.04 0.00 0.00 61.00 61.93 3i8i s PRO 44 Cb -0.11 -1.85 0.06 0.00 0.04 0.00 0.00 34.50 32.64 3i8i s PRO 44 CO 0.28 -2.04 2.41 -1.71 0.04 0.00 0.00 177.00 175.98 3i8i n ASN 45 N -3.71 7.11 -4.71 6.66 2.85 -1.26 -4.94 115.26 117.25 3i8i n ASN 45 Ca 0.07 -2.95 -0.43 0.00 -0.11 0.00 0.00 54.58 51.16 3i8i n ASN 45 Cb 0.57 -1.47 -0.03 0.00 1.24 0.00 0.00 39.78 40.08 3i8i n ASN 45 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3i8i n LEU 46 N 3.20 3.89 -3.92 1.20 4.32 -1.26 -0.13 117.00 124.30 3i8i n LEU 46 Ca 0.61 1.08 -0.10 0.00 -0.02 0.00 0.00 56.01 57.58 3i8i n LEU 46 Cb 0.28 -1.55 -0.10 0.00 -1.62 0.00 0.00 43.42 40.44 3i8i n LEU 46 CO 0.79 0.08 -0.22 -1.10 -1.22 0.00 0.00 177.39 175.72 3i8i s GLN 47 N 0.82 0.51 0.43 3.23 -1.52 0.18 -4.83 119.66 118.48 3i8i s GLN 47 Ca 0.74 -0.62 -0.12 0.00 -1.95 0.00 0.00 55.36 53.40 3i8i s GLN 47 Cb -0.54 0.20 -0.07 0.00 -0.22 0.00 0.00 33.01 32.39 3i8i s GLN 47 CO 0.36 -0.12 0.83 0.15 -0.25 0.00 0.00 175.29 176.26 3i8i s LYS 48 N -2.06 3.83 -0.29 2.91 1.02 -1.26 -0.77 119.74 123.11 3i8i s LYS 48 Ca -0.10 0.61 -0.03 0.00 0.02 0.00 0.00 55.97 56.48 3i8i s LYS 48 Cb -0.04 -2.32 0.11 0.00 -0.52 0.00 0.00 37.83 35.05 3i8i s LYS 48 CO -0.02 -0.09 0.18 0.08 -0.92 0.00 0.00 175.35 174.58 3i8i s VAL 49 N -2.42 -0.14 -0.52 3.17 1.01 0.10 -4.91 120.40 116.68 3i8i s VAL 49 Ca 0.53 -0.75 -0.24 0.00 0.00 0.00 0.00 61.98 61.52 3i8i s VAL 49 Cb -0.10 -0.98 0.04 0.00 0.00 0.00 0.00 36.38 35.33 3i8i s VAL 49 CO 0.31 -0.68 0.91 -0.60 0.00 0.00 0.00 175.10 175.04 3i8i s ARG 50 N 2.09 3.37 -0.06 2.72 3.52 -1.26 -0.79 118.95 128.55 3i8i s ARG 50 Ca 0.10 -0.18 0.03 0.00 -0.13 0.00 0.00 55.73 55.54 3i8i s ARG 50 Cb -0.16 -4.02 0.01 0.00 -1.56 0.00 0.00 34.95 29.22 3i8i s ARG 50 CO -0.33 -1.39 -0.15 0.08 -0.81 0.00 0.00 175.30 172.70 3i8i s VAL 51 N 3.81 1.31 -0.54 7.11 1.01 0.15 -4.95 120.40 128.30 3i8i s VAL 51 Ca 0.31 -0.61 -0.23 0.00 0.00 0.00 0.00 61.98 61.46 3i8i s VAL 51 Cb -0.12 -1.16 0.05 0.00 0.00 0.00 0.00 36.38 35.15 3i8i s VAL 51 CO 0.21 0.39 0.86 -0.60 0.00 0.00 0.00 175.10 175.95 3i8i s ARG 52 N 0.38 3.27 -0.08 2.72 6.06 -1.26 0.20 118.95 130.24 3i8i s ARG 52 Ca -0.11 -0.45 0.04 0.00 -2.50 0.00 0.00 55.73 52.72 3i8i s ARG 52 Cb -0.14 -4.07 -0.01 0.00 0.06 0.00 0.00 34.95 30.79 3i8i s ARG 52 CO 0.04 -1.43 -0.22 0.08 -2.50 0.00 0.00 175.30 171.26 3i8i s VAL 53 N 3.60 2.24 0.00 7.11 1.01 0.20 -4.94 120.40 129.63 3i8i s VAL 53 Ca 0.26 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.27 3i8i s VAL 53 Cb -0.14 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.38 3i8i s VAL 53 CO 0.17 0.56 0.00 0.00 0.00 0.00 0.00 175.10 175.83 3i8i n ALA 54 N 3.23 0.00 0.08 5.51 0.00 -1.26 -3.31 120.51 124.76 3i8i n ALA 54 Ca -0.18 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.22 3i8i n ALA 54 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 3i8i n ALA 54 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i8i h GLY 55 N 0.00 -0.65 -0.35 0.00 0.00 -1.95 -3.46 103.07 96.66 3i8i h GLY 55 Ca 0.00 0.28 -0.13 0.00 0.00 0.00 0.00 47.33 47.48 3i8i h GLY 55 CO 0.00 -0.23 0.04 0.61 0.00 0.00 0.00 176.54 176.96 3i8i n GLN 56 N -2.87 0.35 -3.88 4.80 0.00 -1.21 -5.08 117.38 109.50 3i8i n GLN 56 Ca -0.03 -0.73 -0.35 0.00 0.00 0.00 0.00 57.00 55.89 3i8i n GLN 56 Cb 0.10 -0.20 -0.10 0.00 0.00 0.00 0.00 30.24 30.04 3i8i n GLN 56 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 3i8i s GLU 57 N -3.18 4.00 -0.04 2.61 -6.30 -1.26 -0.62 118.70 113.90 3i8i s GLU 57 Ca 0.18 -0.32 0.02 0.00 -2.50 0.00 0.00 54.97 52.35 3i8i s GLU 57 Cb -0.01 -3.32 -0.03 0.00 0.00 0.00 0.00 34.13 30.77 3i8i s GLU 57 CO 0.12 0.20 -0.06 0.42 0.02 0.00 0.00 175.26 175.96 3i8i s ILE 58 N 0.60 3.75 -0.09 -3.70 1.01 0.53 -4.92 121.20 118.40 3i8i s ILE 58 Ca 0.05 -0.58 0.04 0.00 0.00 0.00 0.00 60.65 60.16 3i8i s ILE 58 Cb -0.13 -2.58 -0.01 0.00 0.01 0.00 0.00 42.46 39.76 3i8i s ILE 58 CO 0.01 0.51 -0.22 -0.89 0.00 0.00 0.00 174.94 174.35 3i8i s THR 59 N -0.90 2.28 0.08 2.92 2.01 -1.26 0.31 115.64 121.08 3i8i s THR 59 Ca 0.15 -0.96 0.09 0.00 0.31 0.00 0.00 61.69 61.27 3i8i s THR 59 Cb -0.11 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 3i8i s THR 59 CO 0.04 0.56 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.96 3i8i s PHE 60 N 0.11 2.46 -0.38 4.92 0.40 0.03 -4.93 117.98 120.58 3i8i s PHE 60 Ca -0.11 -0.31 -0.05 0.00 -0.60 0.00 0.00 56.93 55.86 3i8i s PHE 60 Cb -0.16 -1.37 0.08 0.00 0.51 0.00 0.00 43.02 42.08 3i8i s PHE 60 CO 0.06 0.28 0.17 1.03 0.70 0.00 0.00 175.22 177.46 3i8i s ARG 61 N -1.73 2.36 0.22 0.44 0.52 -1.26 0.01 118.95 119.50 3i8i s ARG 61 Ca 0.15 -1.51 0.08 0.00 -0.52 0.00 0.00 55.73 53.93 3i8i s ARG 61 Cb -0.10 -3.55 -0.05 0.00 0.52 0.00 0.00 34.95 31.77 3i8i s ARG 61 CO 0.06 -0.89 -0.15 0.14 0.02 0.00 0.00 175.30 174.48 3i8i s VAL 62 N 1.29 1.85 -0.16 3.52 -7.23 0.05 -1.63 120.40 118.08 3i8i s VAL 62 Ca 0.03 -2.24 -0.29 0.00 -1.81 0.00 0.00 61.98 57.66 3i8i s VAL 62 Cb -0.22 -2.08 -0.02 0.00 0.56 0.00 0.00 36.38 34.62 3i8i s VAL 62 CO -0.01 -0.57 1.32 0.00 -0.31 0.00 0.00 175.10 175.53 3i8i s ALA 63 N -2.90 3.64 0.32 1.32 0.00 -1.26 0.51 121.76 123.38 3i8i s ALA 63 Ca 0.24 0.50 0.24 0.00 0.00 0.00 0.00 51.96 52.93 3i8i s ALA 63 Cb -0.01 -3.64 1.06 0.00 0.00 0.00 0.00 23.12 20.52 3i8i s ALA 63 CO 0.08 -1.23 1.09 0.00 0.00 0.00 0.00 175.76 175.70 3i8i n ALA 64 N 6.74 0.99 0.19 0.00 0.00 0.81 0.37 120.51 129.61 3i8i n ALA 64 Ca 0.14 0.59 0.12 0.00 0.00 0.00 0.00 53.44 54.30 3i8i n ALA 64 Cb 0.45 -0.75 0.62 0.00 0.00 0.00 0.00 19.45 19.77 3i8i n ALA 64 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i8i h SER 65 N 0.00 0.00 0.00 0.00 4.64 -1.87 -2.16 113.55 114.15 3i8i h SER 65 Ca 0.62 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.92 3i8i h SER 65 Cb 2.05 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 64.10 3i8i h SER 65 CO -0.30 0.00 -0.33 1.41 -0.87 0.00 0.00 176.83 176.74 3i8i n HIS 66 N -2.31 0.00 0.23 4.77 -0.00 1.16 -4.78 115.22 114.29 3i8i n HIS 66 Ca -0.01 -0.89 0.06 0.00 -0.00 0.00 0.00 57.72 56.87 3i8i n HIS 66 Cb 0.05 -0.16 0.53 0.00 -0.00 0.00 0.00 29.99 30.41 3i8i n HIS 66 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 3i8i h ILE 67 N 2.29 1.10 -0.45 1.59 2.04 -1.38 -2.48 117.51 120.21 3i8i h ILE 67 Ca -0.02 -0.47 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 3i8i h ILE 67 Cb 1.17 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 3i8i h ILE 67 CO 0.01 0.14 0.07 -0.65 0.00 0.00 0.00 178.15 177.72 3i8i h PRO 68 N 0.01 0.70 0.00 2.37 0.11 -1.86 -2.29 132.00 131.05 3i8i h PRO 68 Ca 0.00 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 65.97 3i8i h PRO 68 Cb 0.24 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.25 3i8i h PRO 68 CO 0.02 0.67 0.03 -0.22 -0.21 0.00 0.00 178.00 178.28 3i8i h LYS 69 N 0.67 0.00 0.24 1.05 1.63 -1.81 0.92 116.57 119.27 3i8i h LYS 69 Ca 0.15 0.00 -0.32 0.00 -0.85 0.00 0.00 60.65 59.63 3i8i h LYS 69 Cb 0.32 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 31.98 3i8i h LYS 69 CO 0.00 0.00 -1.40 0.28 -3.45 0.00 0.00 179.45 174.89 3i8i h VAL 70 N 0.00 1.29 0.00 2.00 2.07 -1.51 -2.21 116.25 117.89 3i8i h VAL 70 Ca 0.00 -2.66 0.00 0.00 0.82 0.00 0.00 66.70 64.86 3i8i h VAL 70 Cb 0.06 3.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 3i8i h VAL 70 CO 0.00 0.80 0.00 -1.22 0.02 0.00 0.00 177.57 177.17 3i8i n TYR 71 N -3.78 0.89 0.01 1.57 4.02 0.12 -1.68 117.16 118.30 3i8i n TYR 71 Ca -0.17 0.30 -0.13 0.00 -0.01 0.00 0.00 57.90 57.89 3i8i n TYR 71 Cb 1.06 -0.99 -0.14 0.00 -0.02 0.00 0.00 39.34 39.26 3i8i n TYR 71 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 3i8i h GLU 72 N 0.00 0.12 0.46 -0.72 4.81 -1.01 -3.28 114.58 114.97 3i8i h GLU 72 Ca 0.00 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 3i8i h GLU 72 Cb 0.56 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.02 3i8i h GLU 72 CO 0.00 0.85 -0.22 -0.07 -0.73 0.00 0.00 179.01 178.84 3i8i h LEU 73 N 0.03 -0.52 -1.10 1.64 3.38 -1.10 -2.78 115.31 114.86 3i8i h LEU 73 Ca -0.28 -0.07 0.38 0.00 0.09 0.00 0.00 57.88 58.00 3i8i h LEU 73 Cb 2.00 0.13 -0.15 0.00 0.09 0.00 0.00 40.66 42.73 3i8i h LEU 73 CO 0.11 -0.23 0.63 0.58 0.09 0.00 0.00 178.44 179.61 3i8i h VAL 74 N -0.81 0.16 -0.76 1.22 2.07 -1.47 0.16 116.25 116.83 3i8i h VAL 74 Ca -0.06 -0.06 0.17 0.00 0.82 0.00 0.00 66.70 67.57 3i8i h VAL 74 Cb 0.56 -0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.27 3i8i h VAL 74 CO 0.10 0.03 0.51 -0.33 0.02 0.00 0.00 177.57 177.91 3i8i h GLU 75 N 0.16 0.29 -6.05 1.57 5.08 -1.54 -3.38 114.58 110.72 3i8i h GLU 75 Ca 0.79 -0.02 -0.49 0.00 -1.00 0.00 0.00 59.36 58.64 3i8i h GLU 75 Cb 2.07 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 31.21 3i8i h GLU 75 CO -0.61 0.19 1.24 1.03 -1.00 0.00 0.00 179.01 179.86 3i8i s ARG 76 N -5.30 2.78 0.04 2.33 3.00 0.56 -4.96 118.95 117.40 3i8i s ARG 76 Ca -0.07 0.28 -0.16 0.00 0.00 0.00 0.00 55.73 55.78 3i8i s ARG 76 Cb 0.21 -4.43 -0.06 0.00 0.00 0.00 0.00 34.95 30.67 3i8i s ARG 76 CO 0.76 -2.64 0.47 0.00 0.00 0.00 0.00 175.30 173.90 3i8i s ALA 77 N 8.25 3.66 0.00 2.13 0.00 -1.26 -5.03 121.76 129.51 3i8i s ALA 77 Ca 0.59 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.41 3i8i s ALA 77 Cb -0.11 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.54 3i8i s ALA 77 CO 0.17 0.46 0.00 0.36 0.00 0.00 0.00 175.76 176.74 3i8i n LYS 78 N 1.65 0.00 -1.58 0.00 -0.00 -1.26 -5.12 118.16 111.86 3i8i n LYS 78 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.19 3i8i n LYS 78 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.55 3i8i n LYS 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i8i n GLY 79 N 0.00 0.00 3.15 2.58 0.00 -1.26 -5.02 105.19 104.64 3i8i n GLY 79 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 3i8i n GLY 79 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i8i s LEU 80 N 0.00 -1.49 -0.50 0.99 -0.00 -1.26 -5.03 118.68 111.39 3i8i s LEU 80 Ca 0.00 -0.03 0.04 0.00 -0.00 0.00 0.00 54.13 54.13 3i8i s LEU 80 Cb 0.00 1.93 0.42 0.00 -0.00 0.00 0.00 46.19 48.53 3i8i s LEU 80 CO 0.00 -0.25 1.36 0.29 -0.00 0.00 0.00 176.35 177.75 3i8i n LYS 81 N 5.15 3.29 0.00 1.48 4.01 -1.26 -4.64 118.16 126.18 3i8i n LYS 81 Ca 0.07 -4.18 0.00 0.00 -0.51 0.00 0.00 58.31 53.69 3i8i n LYS 81 Cb 0.55 -2.26 0.00 0.00 -0.51 0.00 0.00 35.03 32.81 3i8i n LYS 81 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 3i8i n LEU 82 N -0.56 0.00 -3.90 -0.35 7.99 -1.26 -5.06 117.00 113.86 3i8i n LEU 82 Ca 0.44 0.00 -0.09 0.00 -0.01 0.00 0.00 56.01 56.35 3i8i n LEU 82 Cb 0.64 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.94 3i8i n LEU 82 CO 0.41 0.00 0.40 -0.70 -1.51 0.00 0.00 177.39 175.98 3i8i s GLU 83 N 0.00 1.97 0.26 3.23 -6.30 -1.26 -5.02 118.70 111.58 3i8i s GLU 83 Ca 0.00 -1.35 0.21 0.00 -2.50 0.00 0.00 54.97 51.33 3i8i s GLU 83 Cb 0.00 0.57 0.87 0.00 0.00 0.00 0.00 34.13 35.57 3i8i s GLU 83 CO 0.00 -0.89 0.87 0.41 0.02 0.00 0.00 175.26 175.68 3i8i n GLY 84 N -0.50 -0.49 1.97 -1.50 0.00 -1.26 -2.00 105.19 101.41 3i8i n GLY 84 Ca -0.05 0.41 -0.12 0.00 0.00 0.00 0.00 46.02 46.27 3i8i n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i8i n LEU 85 N -3.58 5.50 0.17 0.99 7.99 -1.26 -4.28 117.00 122.53 3i8i n LEU 85 Ca 0.23 -3.17 0.06 0.00 -0.01 0.00 0.00 56.01 53.12 3i8i n LEU 85 Cb 0.95 -1.32 0.14 0.00 -0.11 0.00 0.00 43.42 43.08 3i8i n LEU 85 CO 0.14 1.55 0.60 0.28 -1.51 0.00 0.00 177.39 178.45 3i8i h SER 86 N 2.54 0.00 -0.33 -1.43 0.02 -1.83 -3.30 113.55 109.21 3i8i h SER 86 Ca 0.19 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.21 3i8i h SER 86 Cb 1.27 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.73 3i8i h SER 86 CO 0.31 0.37 -0.35 -0.65 -1.14 0.00 0.00 176.83 175.37 3i8i h PRO 87 N 0.00 -0.29 -0.56 3.45 0.11 -1.89 0.69 132.00 133.51 3i8i h PRO 87 Ca -0.00 0.02 0.14 0.00 0.11 0.00 0.00 66.00 66.27 3i8i h PRO 87 Cb 1.19 0.07 -0.11 0.00 0.11 0.00 0.00 31.00 32.26 3i8i h PRO 87 CO 0.05 -0.20 -0.03 1.63 -0.21 0.00 0.00 178.00 179.24 3i8i n LYS 88 N -5.42 -0.05 -0.03 1.05 5.02 -1.24 0.55 118.16 118.05 3i8i n LYS 88 Ca -0.00 0.85 -0.18 0.00 -2.02 0.00 0.00 58.31 56.96 3i8i n LYS 88 Cb 0.34 -1.33 -0.13 0.00 -0.02 0.00 0.00 35.03 33.88 3i8i n LYS 88 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3i8i h GLU 89 N 0.00 0.12 0.00 1.97 4.39 -0.61 -3.25 114.58 117.20 3i8i h GLU 89 Ca 0.32 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 3i8i h GLU 89 Cb 0.63 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.35 3i8i h GLU 89 CO -0.54 1.09 -0.01 0.82 -1.16 0.00 0.00 179.01 179.22 3i8i h ILE 90 N -0.73 0.68 -0.17 3.13 1.08 0.62 -2.50 117.51 119.62 3i8i h ILE 90 Ca -0.14 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 3i8i h ILE 90 Cb 1.33 1.02 0.00 0.00 -3.07 0.00 0.00 36.82 36.10 3i8i h ILE 90 CO 0.02 0.01 0.00 1.17 -0.69 0.00 0.00 178.15 178.65 3i8i n LYS 91 N -4.06 0.94 -0.12 2.37 3.00 2.22 -3.89 118.16 118.61 3i8i n LYS 91 Ca -0.03 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.30 3i8i n LYS 91 Cb 0.09 0.00 0.04 0.00 0.00 0.00 0.00 35.03 35.16 3i8i n LYS 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3i8i n LYS 92 N -0.04 -0.03 -0.28 1.64 4.81 -1.26 0.32 118.16 123.31 3i8i n LYS 92 Ca 0.00 0.50 0.34 0.00 -0.87 0.00 0.00 58.31 58.28 3i8i n LYS 92 Cb 0.00 -0.75 0.71 0.00 0.02 0.00 0.00 35.03 35.02 3i8i n LYS 92 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3i8i h GLU 93 N 0.00 0.00 0.00 1.64 5.08 -1.72 2.59 114.58 122.17 3i8i h GLU 93 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3i8i h GLU 93 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3i8i h GLU 93 CO -0.33 0.00 -1.53 -0.11 -1.00 0.00 0.00 179.01 176.04 3i8i n LEU 94 N -3.90 0.39 0.00 1.33 0.00 0.98 -4.77 117.00 111.02 3i8i n LEU 94 Ca 0.25 -0.21 -0.09 0.00 0.00 0.00 0.00 56.01 55.96 3i8i n LEU 94 Cb 1.29 0.00 0.07 0.00 0.00 0.00 0.00 43.42 44.78 3i8i n LEU 94 CO 0.36 0.10 0.21 0.18 0.00 0.00 0.00 177.39 178.24 3i8i n LEU 95 N -1.91 0.00 -0.45 -1.96 4.77 0.87 -4.84 117.00 113.49 3i8i n LEU 95 Ca -0.01 -0.38 0.38 0.00 -0.03 0.00 0.00 56.01 55.98 3i8i n LEU 95 Cb 0.44 -0.30 0.65 0.00 -2.33 0.00 0.00 43.42 41.89 3i8i n LEU 95 CO 0.42 -1.11 1.17 0.29 -1.33 0.00 0.00 177.39 176.84 3i8i n LYS 96 N -2.21 -0.04 0.00 3.23 5.02 -1.26 -4.80 118.16 118.11 3i8i n LYS 96 Ca 0.05 1.23 0.00 0.00 -2.02 0.00 0.00 58.31 57.57 3i8i n LYS 96 Cb 0.17 -2.41 0.00 0.00 -0.02 0.00 0.00 35.03 32.77 3i8i n LYS 96 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3i8i n LEU 97 N -4.72 0.00 0.00 -0.35 0.00 -1.25 -5.10 117.00 105.58 3i8i n LEU 97 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.40 3i8i n LEU 97 Cb 1.50 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.92 3i8i n LEU 97 CO 0.16 0.00 0.11 0.18 0.00 0.00 0.00 177.39 177.84