#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f7x s THR 2 N 0.00 2.66 0.27 2.61 -4.23 -1.26 -5.14 115.64 110.55 3f7x s THR 2 Ca 0.00 -2.04 -0.01 0.00 -1.18 0.00 0.00 61.69 58.45 3f7x s THR 2 Cb 0.00 -2.73 0.28 0.00 1.34 0.00 0.00 72.50 71.39 3f7x s THR 2 CO 0.00 -0.24 1.88 0.00 -0.54 0.00 0.00 174.62 175.71 3f7x h ALA 3 N 1.89 1.43 -0.37 3.99 0.00 -1.94 0.34 119.26 124.61 3f7x h ALA 3 Ca -0.43 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 3f7x h ALA 3 Cb 1.25 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3f7x h ALA 3 CO 0.66 0.40 0.21 1.15 0.00 0.00 0.00 179.25 181.66 3f7x h THR 4 N 1.14 1.14 -0.82 0.00 2.02 -1.95 -0.49 112.91 113.94 3f7x h THR 4 Ca 0.44 -0.36 -0.04 0.00 0.77 0.00 0.00 66.41 67.22 3f7x h THR 4 Cb 0.23 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 3f7x h THR 4 CO -0.19 0.14 0.37 -0.33 0.37 0.00 0.00 175.52 175.88 3f7x h GLU 5 N 0.48 1.21 -0.20 6.66 5.08 -1.82 0.52 114.58 126.50 3f7x h GLU 5 Ca 0.13 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3f7x h GLU 5 Cb 0.05 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 3f7x h GLU 5 CO -0.02 0.95 0.10 1.25 -1.00 0.00 0.00 179.01 180.29 3f7x h LEU 6 N 1.19 0.26 -0.46 1.33 5.85 -0.60 -0.08 115.31 122.79 3f7x h LEU 6 Ca 0.28 -0.11 -0.14 0.00 0.84 0.00 0.00 57.88 58.74 3f7x h LEU 6 Cb 0.16 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3f7x h LEU 6 CO -0.03 0.30 -0.30 0.58 -0.34 0.00 0.00 178.44 178.65 3f7x h VAL 7 N 0.20 1.27 -0.91 1.05 2.07 -0.98 -0.52 116.25 118.43 3f7x h VAL 7 Ca 0.07 -1.47 0.05 0.00 0.82 0.00 0.00 66.70 66.17 3f7x h VAL 7 Cb 0.11 1.25 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 3f7x h VAL 7 CO -0.01 0.50 0.58 0.78 0.02 0.00 0.00 177.57 179.44 3f7x h ASN 8 N 0.80 0.95 -0.46 0.57 2.35 -0.74 -1.54 115.58 117.51 3f7x h ASN 8 Ca 0.09 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.76 3f7x h ASN 8 Cb 0.88 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.03 3f7x h ASN 8 CO 0.08 0.63 -0.01 0.00 -1.65 0.00 0.00 177.43 176.48 3f7x h ALA 9 N 1.40 1.00 -0.18 -0.83 0.00 -0.53 0.50 119.26 120.61 3f7x h ALA 9 Ca 0.38 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3f7x h ALA 9 Cb 0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3f7x h ALA 9 CO -0.14 0.61 -0.04 -0.92 0.00 0.00 0.00 179.25 178.76 3f7x h TYR 10 N 0.82 -0.08 -0.04 0.00 3.20 -0.64 -0.93 116.97 119.30 3f7x h TYR 10 Ca 0.15 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.87 3f7x h TYR 10 Cb 0.50 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 3f7x h TYR 10 CO 0.03 -0.07 -0.74 1.88 -1.64 0.00 0.00 178.16 177.62 3f7x h TYR 11 N 0.01 0.31 -0.52 -3.82 0.05 -1.09 -0.86 116.97 111.05 3f7x h TYR 11 Ca 0.09 -0.14 0.02 0.00 0.05 0.00 0.00 58.73 58.74 3f7x h TYR 11 Cb 0.13 -0.04 -0.03 0.00 1.01 0.00 0.00 36.73 37.79 3f7x h TYR 11 CO -0.20 0.88 0.32 0.00 -1.05 0.00 0.00 178.16 178.12 3f7x h ALA 12 N 1.08 0.66 -0.53 3.88 0.00 -0.71 0.22 119.26 123.86 3f7x h ALA 12 Ca -0.02 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3f7x h ALA 12 Cb 1.30 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3f7x h ALA 12 CO 0.11 0.05 -0.00 0.00 0.00 0.00 0.00 179.25 179.41 3f7x h ALA 13 N 1.21 0.72 0.14 0.00 0.00 -0.99 -1.29 119.26 119.05 3f7x h ALA 13 Ca 0.20 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3f7x h ALA 13 Cb -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3f7x h ALA 13 CO -0.07 0.54 -0.11 0.35 0.00 0.00 0.00 179.25 179.95 3f7x h PHE 14 N 0.82 -0.30 -0.56 0.00 3.04 -0.94 -0.22 116.94 118.79 3f7x h PHE 14 Ca 0.15 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.06 3f7x h PHE 14 Cb 0.54 0.11 -0.03 0.00 2.56 0.00 0.00 35.95 39.13 3f7x h PHE 14 CO 0.04 -0.18 0.20 -0.91 -2.02 0.00 0.00 178.31 175.44 3f7x h ASN 15 N -0.27 0.75 0.38 0.41 2.35 -0.85 -2.34 115.58 116.02 3f7x h ASN 15 Ca -0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 3f7x h ASN 15 Cb 0.24 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.42 3f7x h ASN 15 CO -0.01 0.69 -0.07 0.00 -1.65 0.00 0.00 177.43 176.38 3f7x n ALA 16 N -2.46 2.69 -2.67 -0.83 0.00 -0.50 -4.93 120.51 111.82 3f7x n ALA 16 Ca 0.04 -0.24 -0.18 0.00 0.00 0.00 0.00 53.44 53.07 3f7x n ALA 16 Cb 0.18 -1.38 0.01 0.00 0.00 0.00 0.00 19.45 18.26 3f7x n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f7x n GLY 17 N 1.26 -0.34 3.93 0.00 0.00 -0.53 -5.05 105.19 104.45 3f7x n GLY 17 Ca 0.15 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 3f7x n GLY 17 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3f7x s ASP 18 N -2.53 6.38 0.00 1.61 -1.08 -0.21 -5.03 116.67 115.81 3f7x s ASP 18 Ca 0.15 0.36 0.00 0.00 -0.52 0.00 0.00 52.55 52.55 3f7x s ASP 18 Cb -0.07 -1.99 0.00 0.00 -1.46 0.00 0.00 42.92 39.40 3f7x s ASP 18 CO 0.19 -0.00 0.00 -2.65 0.52 0.00 0.00 175.17 173.23 3f7x n PRO 20 N -0.50 0.00 -0.25 4.34 -0.02 -1.26 -1.35 135.00 135.95 3f7x n PRO 20 Ca -0.05 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.36 3f7x n PRO 20 Cb 0.53 0.00 0.05 0.00 -0.02 0.00 0.00 33.50 34.06 3f7x n PRO 20 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3f7x h ALA 21 N 0.00 0.93 0.10 3.55 0.00 -1.97 -1.86 119.26 120.01 3f7x h ALA 21 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3f7x h ALA 21 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3f7x h ALA 21 CO 0.00 0.65 -0.05 0.35 0.00 0.00 0.00 179.25 180.20 3f7x h PHE 22 N 1.06 -0.13 0.00 0.00 3.57 -1.54 -3.13 116.94 116.77 3f7x h PHE 22 Ca 0.22 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.64 3f7x h PHE 22 Cb 0.36 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 3f7x h PHE 22 CO 0.03 0.07 -0.37 -0.07 -2.23 0.00 0.00 178.31 175.74 3f7x h LEU 23 N -0.31 0.00 -2.09 0.59 3.38 -1.81 -2.69 115.31 112.37 3f7x h LEU 23 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3f7x h LEU 23 Cb 0.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3f7x h LEU 23 CO 0.02 0.37 -0.08 0.00 0.09 0.00 0.00 178.44 178.84 3f7x h ALA 24 N 1.63 1.36 0.00 1.53 0.00 -1.28 -2.10 119.26 120.40 3f7x h ALA 24 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3f7x h ALA 24 Cb 0.82 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3f7x h ALA 24 CO 0.05 0.10 -0.02 1.28 0.00 0.00 0.00 179.25 180.66 3f7x n LEU 25 N -3.71 0.04 -4.89 0.00 4.77 -1.01 -4.88 117.00 107.32 3f7x n LEU 25 Ca -0.02 0.48 -0.33 0.00 -0.03 0.00 0.00 56.01 56.10 3f7x n LEU 25 Cb 0.19 -0.48 -0.05 0.00 -2.33 0.00 0.00 43.42 40.74 3f7x n LEU 25 CO 0.29 0.00 -0.07 -0.76 -1.33 0.00 0.00 177.39 175.52 3f7x s LEU 26 N -3.04 4.35 0.59 2.23 1.43 -0.79 -0.85 118.68 122.61 3f7x s LEU 26 Ca 0.14 0.49 -0.20 0.00 -1.03 0.00 0.00 54.13 53.54 3f7x s LEU 26 Cb 0.19 -2.81 -0.03 0.00 0.03 0.00 0.00 46.19 43.57 3f7x s LEU 26 CO 0.54 0.21 1.29 -0.55 0.23 0.00 0.00 176.35 178.07 3f7x s SER 27 N -1.96 5.02 0.53 2.29 0.15 0.08 -4.82 113.70 114.98 3f7x s SER 27 Ca 0.31 2.60 0.18 0.00 0.70 0.00 0.00 55.95 59.74 3f7x s SER 27 Cb -0.13 -2.62 1.35 0.00 -1.71 0.00 0.00 66.02 62.91 3f7x s SER 27 CO 0.19 -1.72 2.16 -0.33 1.20 0.00 0.00 173.24 174.74 3f7x h GLU 28 N 0.98 0.00 -0.69 5.44 4.39 -1.96 -2.23 114.58 120.52 3f7x h GLU 28 Ca -0.51 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 58.87 3f7x h GLU 28 Cb 1.31 0.00 -0.19 0.00 -0.10 0.00 0.00 28.75 29.77 3f7x h GLU 28 CO 0.55 0.00 0.30 -0.25 -1.16 0.00 0.00 179.01 178.45 3f7x n ASP 29 N -4.44 3.44 -4.63 1.42 8.00 -1.26 -0.83 116.55 118.25 3f7x n ASP 29 Ca -0.03 -3.59 -0.45 0.00 0.71 0.00 0.00 54.79 51.43 3f7x n ASP 29 Cb 0.10 -0.74 -0.02 0.00 -0.02 0.00 0.00 41.12 40.44 3f7x n ASP 29 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3f7x n VAL 30 N -0.97 1.40 -3.45 2.53 3.14 -0.84 -4.35 118.33 115.80 3f7x n VAL 30 Ca 0.45 -0.35 -0.37 0.00 -2.96 0.00 0.00 64.34 61.11 3f7x n VAL 30 Cb 1.36 -1.19 -0.07 0.00 -1.06 0.00 0.00 33.84 32.88 3f7x n VAL 30 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 3f7x s ILE 31 N -0.54 5.24 -0.28 1.55 1.01 -0.20 -0.24 121.20 127.74 3f7x s ILE 31 Ca 0.65 0.65 0.03 0.00 0.00 0.00 0.00 60.65 61.97 3f7x s ILE 31 Cb -0.70 -3.69 0.07 0.00 0.01 0.00 0.00 42.46 38.15 3f7x s ILE 31 CO 0.55 0.31 -0.04 -2.28 0.00 0.00 0.00 174.94 173.49 3f7x s HIS 32 N 0.95 3.15 -0.60 3.97 2.46 0.12 -0.80 115.29 124.55 3f7x s HIS 32 Ca 0.18 -2.39 -0.20 0.00 0.47 0.00 0.00 55.06 53.12 3f7x s HIS 32 Cb -0.14 -2.16 0.09 0.00 -0.13 0.00 0.00 32.58 30.24 3f7x s HIS 32 CO 0.07 -0.88 0.78 -0.51 -2.47 0.00 0.00 174.74 171.72 3f7x s ASP 33 N 1.13 6.19 0.27 9.88 1.01 0.07 -0.54 116.67 134.68 3f7x s ASP 33 Ca -0.01 -1.20 -0.29 0.00 0.71 0.00 0.00 52.55 51.76 3f7x s ASP 33 Cb -0.19 -2.34 -0.09 0.00 1.01 0.00 0.00 42.92 41.31 3f7x s ASP 33 CO -0.07 -1.18 0.99 -0.63 0.21 0.00 0.00 175.17 174.49 3f7x s ILE 34 N 3.11 3.88 0.08 0.77 1.01 -0.88 -1.69 121.20 127.49 3f7x s ILE 34 Ca 0.16 1.85 -0.31 0.00 0.00 0.00 0.00 60.65 62.35 3f7x s ILE 34 Cb -0.21 -4.15 -0.10 0.00 0.01 0.00 0.00 42.46 38.01 3f7x s ILE 34 CO 0.09 0.40 1.88 0.21 0.00 0.00 0.00 174.94 177.52 3f7x s ASN 35 N -1.15 6.44 -1.63 3.58 2.47 -1.24 -1.38 114.94 122.04 3f7x s ASN 35 Ca 0.44 2.71 0.00 0.00 0.42 0.00 0.00 52.86 56.42 3f7x s ASN 35 Cb -0.27 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 36.98 3f7x s ASN 35 CO 0.34 -1.02 0.00 0.00 -3.72 0.00 0.00 177.10 172.69 3f7x n GLN 36 N 6.52 -1.43 0.00 0.43 1.13 -1.26 -4.89 117.38 117.88 3f7x n GLN 36 Ca 0.19 1.03 0.00 0.00 -1.94 0.00 0.00 57.00 56.28 3f7x n GLN 36 Cb 0.40 -5.36 0.00 0.00 0.11 0.00 0.00 30.24 25.39 3f7x n GLN 36 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3f7x n GLY 37 N -0.38 5.56 3.86 1.08 0.00 -0.48 -5.15 105.19 109.69 3f7x n GLY 37 Ca -0.15 -1.49 -0.31 0.00 0.00 0.00 0.00 46.02 44.07 3f7x n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3f7x s GLU 38 N 1.72 3.85 -0.18 1.61 2.12 -1.26 -4.67 118.70 121.88 3f7x s GLU 38 Ca 0.00 0.71 -0.29 0.00 0.36 0.00 0.00 54.97 55.76 3f7x s GLU 38 Cb 0.00 -2.25 0.00 0.00 0.26 0.00 0.00 34.13 32.14 3f7x s GLU 38 CO 0.00 -0.18 1.01 0.50 -0.54 0.00 0.00 175.26 176.05 3f7x s ARG 39 N -4.03 4.32 0.11 4.30 3.52 -1.26 -2.07 118.95 123.84 3f7x s ARG 39 Ca 0.55 1.33 0.01 0.00 -0.13 0.00 0.00 55.73 57.49 3f7x s ARG 39 Cb -0.10 -3.60 0.01 0.00 -1.56 0.00 0.00 34.95 29.70 3f7x s ARG 39 CO 0.32 -0.49 0.07 1.04 -0.81 0.00 0.00 175.30 175.43 3f7x n GLN 40 N 5.77 1.38 -0.96 5.12 6.02 0.30 -4.97 117.38 130.05 3f7x n GLN 40 Ca 0.10 -0.70 0.01 0.00 -0.01 0.00 0.00 57.00 56.40 3f7x n GLN 40 Cb 0.47 0.09 -0.01 0.00 1.02 0.00 0.00 30.24 31.82 3f7x n GLN 40 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3f7x n GLY 42 N 3.67 -0.65 0.30 1.08 0.00 0.67 -0.70 105.19 109.57 3f7x n GLY 42 Ca -0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 46.02 45.82 3f7x n GLY 42 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3f7x h LYS 43 N -0.34 0.87 -0.68 1.61 3.64 -1.16 -2.22 116.57 118.28 3f7x h LYS 43 Ca -0.01 -0.20 0.02 0.00 -1.27 0.00 0.00 60.65 59.19 3f7x h LYS 43 Cb 0.19 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.85 3f7x h LYS 43 CO 0.00 0.81 0.43 0.00 -2.27 0.00 0.00 179.45 178.43 3f7x h ALA 44 N 1.27 0.89 -0.50 5.00 0.00 -1.95 0.98 119.26 124.94 3f7x h ALA 44 Ca 0.17 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3f7x h ALA 44 Cb 0.37 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3f7x h ALA 44 CO 0.01 0.22 -0.01 0.00 0.00 0.00 0.00 179.25 179.46 3f7x h ARG 45 N 0.85 0.85 -0.62 0.00 3.08 -1.92 -1.44 114.38 115.19 3f7x h ARG 45 Ca 0.27 -0.24 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 3f7x h ARG 45 Cb -0.01 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3f7x h ARG 45 CO -0.10 0.86 0.03 0.35 -1.07 0.00 0.00 179.97 180.05 3f7x h PHE 46 N 0.79 1.15 -0.66 3.04 3.04 -0.73 0.36 116.94 123.93 3f7x h PHE 46 Ca 0.15 -0.18 -0.03 0.00 3.98 0.00 0.00 57.97 61.89 3f7x h PHE 46 Cb 0.49 -0.31 -0.03 0.00 2.56 0.00 0.00 35.95 38.66 3f7x h PHE 46 CO 0.03 1.00 0.31 0.00 -2.02 0.00 0.00 178.31 177.62 3f7x h ALA 47 N 1.04 0.86 -0.75 2.41 0.00 -0.56 -2.56 119.26 119.70 3f7x h ALA 47 Ca 0.18 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3f7x h ALA 47 Cb 0.52 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3f7x h ALA 47 CO 0.02 0.43 0.25 0.00 0.00 0.00 0.00 179.25 179.96 3f7x h ALA 48 N 1.14 1.03 0.00 0.00 0.00 -0.92 -0.47 119.26 120.04 3f7x h ALA 48 Ca 0.23 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3f7x h ALA 48 Cb 0.14 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3f7x h ALA 48 CO -0.03 0.66 0.00 0.34 0.00 0.00 0.00 179.25 180.22 3f7x n PHE 49 N -4.26 0.00 0.00 0.00 -0.00 0.09 -1.73 117.46 111.56 3f7x n PHE 49 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.51 3f7x n PHE 49 Cb 0.22 -0.01 0.00 0.00 -0.00 0.00 0.00 39.48 39.69 3f7x n PHE 49 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 3f7x n GLU 51 N 0.55 0.00 0.00 -4.13 0.00 -0.18 -4.61 120.64 112.27 3f7x n GLU 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3f7x n GLU 51 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 3f7x n GLU 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 3f7x n LYS 52 N 0.00 0.39 0.00 5.31 3.00 -0.70 -1.73 118.16 124.42 3f7x n LYS 52 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3f7x n LYS 52 Cb 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 35.03 33.76 3f7x n LYS 52 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3f7x n ASN 54 N 0.67 0.00 0.20 3.14 3.02 -1.26 -2.48 115.26 118.54 3f7x n ASN 54 Ca 0.00 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.63 3f7x n ASN 54 Cb 0.17 0.00 0.32 0.00 -0.61 0.00 0.00 39.78 39.66 3f7x n ASN 54 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 3f7x h ARG 55 N 0.00 0.00 0.00 3.52 3.08 -1.73 -3.39 114.38 115.86 3f7x h ARG 55 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3f7x h ARG 55 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 3f7x h ARG 55 CO 0.00 0.28 -1.17 0.00 -1.07 0.00 0.00 179.97 178.01 3f7x s TYR 57 N -2.24 0.34 -0.15 0.00 2.02 -1.26 -0.27 117.35 115.80 3f7x s TYR 57 Ca -0.01 -0.71 0.01 0.00 -0.37 0.00 0.00 57.07 55.99 3f7x s TYR 57 Cb 0.02 -0.25 0.02 0.00 -0.40 0.00 0.00 41.96 41.35 3f7x s TYR 57 CO 0.15 -0.29 -0.17 1.03 -1.57 0.00 0.00 175.55 174.70 3f7x s ARG 58 N -2.52 2.57 0.05 -0.62 0.52 -0.66 -4.48 118.95 113.81 3f7x s ARG 58 Ca -0.06 -0.68 0.05 0.00 -0.52 0.00 0.00 55.73 54.53 3f7x s ARG 58 Cb -0.02 -2.23 -0.02 0.00 0.52 0.00 0.00 34.95 33.20 3f7x s ARG 58 CO -0.05 -0.15 -0.15 -1.21 0.02 0.00 0.00 175.30 173.76 3f7x s GLU 59 N 1.20 0.95 -0.06 3.54 2.02 -1.26 -0.78 118.70 124.32 3f7x s GLU 59 Ca 0.00 -0.84 0.03 0.00 0.02 0.00 0.00 54.97 54.18 3f7x s GLU 59 Cb -0.14 -0.98 0.01 0.00 0.10 0.00 0.00 34.13 33.12 3f7x s GLU 59 CO -0.08 0.24 -0.15 0.50 0.02 0.00 0.00 175.26 175.80 3f7x s ARG 60 N -1.33 1.83 -0.19 1.61 3.52 0.28 -4.78 118.95 119.90 3f7x s ARG 60 Ca 0.01 -0.51 -0.09 0.00 -0.13 0.00 0.00 55.73 55.02 3f7x s ARG 60 Cb -0.09 -1.51 -0.04 0.00 -1.56 0.00 0.00 34.95 31.75 3f7x s ARG 60 CO 0.02 0.10 0.09 -0.51 -0.81 0.00 0.00 175.30 174.19 3f7x s LEU 61 N 0.44 3.98 0.30 -0.88 1.43 -1.26 -0.71 118.68 121.97 3f7x s LEU 61 Ca -0.12 0.14 0.11 0.00 -1.03 0.00 0.00 54.13 53.23 3f7x s LEU 61 Cb -0.15 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 44.01 3f7x s LEU 61 CO 0.04 0.17 -0.11 0.00 0.23 0.00 0.00 176.35 176.67 3f7x s ALA 62 N 0.39 2.93 -1.40 4.21 0.00 0.02 -4.79 121.76 123.12 3f7x s ALA 62 Ca 0.05 -1.88 -0.03 0.00 0.00 0.00 0.00 51.96 50.11 3f7x s ALA 62 Cb -0.12 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 22.68 3f7x s ALA 62 CO -0.01 0.22 0.59 -0.25 0.00 0.00 0.00 175.76 176.31 3f7x n ASP 63 N -0.75 -1.21 -4.68 0.00 8.00 -1.26 -0.92 116.55 115.72 3f7x n ASP 63 Ca -0.05 -0.92 -0.42 0.00 0.71 0.00 0.00 54.79 54.10 3f7x n ASP 63 Cb 0.61 -3.46 -0.03 0.00 -0.02 0.00 0.00 41.12 38.22 3f7x n ASP 63 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3f7x s ILE 64 N -3.75 4.32 -0.20 0.53 1.01 -1.26 -4.30 121.20 117.55 3f7x s ILE 64 Ca 0.11 1.63 -0.00 0.00 0.00 0.00 0.00 60.65 62.40 3f7x s ILE 64 Cb -0.06 -4.05 0.02 0.00 0.01 0.00 0.00 42.46 38.38 3f7x s ILE 64 CO 0.86 -0.02 -0.14 -0.69 0.00 0.00 0.00 174.94 174.96 3f7x s VAL 65 N 2.31 2.47 0.30 2.92 1.01 -0.12 -4.99 120.40 124.31 3f7x s VAL 65 Ca 0.55 -0.91 0.09 0.00 0.00 0.00 0.00 61.98 61.71 3f7x s VAL 65 Cb -0.24 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 3f7x s VAL 65 CO 0.21 0.42 0.05 -0.69 0.00 0.00 0.00 175.10 175.08 3f7x s VAL 66 N 1.32 3.17 -0.24 2.92 1.01 -1.26 -1.38 120.40 125.94 3f7x s VAL 66 Ca 0.03 -1.85 -0.37 0.00 0.00 0.00 0.00 61.98 59.79 3f7x s VAL 66 Cb -0.14 -2.88 0.15 0.00 0.00 0.00 0.00 36.38 33.51 3f7x s VAL 66 CO -0.09 -0.28 1.39 0.00 0.00 0.00 0.00 175.10 176.12 3f7x s GLN 68 N -3.74 0.04 0.80 2.72 -2.07 -1.26 -5.00 119.66 111.16 3f7x s GLN 68 Ca 0.34 -0.02 -0.12 0.00 -1.82 0.00 0.00 55.36 53.75 3f7x s GLN 68 Cb -0.04 0.02 0.08 0.00 -1.09 0.00 0.00 33.01 31.98 3f7x s GLN 68 CO 0.21 -0.02 1.17 0.54 -1.32 0.00 0.00 175.29 175.87 3f7x s ASN 69 N -2.26 4.53 0.23 12.60 4.22 -0.48 -4.98 114.94 128.81 3f7x s ASN 69 Ca 0.12 0.76 -0.06 0.00 -2.14 0.00 0.00 52.86 51.54 3f7x s ASN 69 Cb 0.01 -1.27 0.22 0.00 1.28 0.00 0.00 41.25 41.49 3f7x s ASN 69 CO -0.03 -1.88 1.83 0.00 -2.04 0.00 0.00 177.10 174.97 3f7x h ALA 70 N -1.02 1.13 -0.00 3.54 0.00 -2.04 -2.64 119.26 118.23 3f7x h ALA 70 Ca -0.46 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3f7x h ALA 70 Cb 1.33 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3f7x h ALA 70 CO 0.66 0.66 -0.17 -0.40 0.00 0.00 0.00 179.25 179.99 3f7x n ASP 71 N -4.31 0.58 -0.22 0.00 5.68 -1.26 -4.94 116.55 112.08 3f7x n ASP 71 Ca 0.08 -0.56 -0.03 0.00 -0.50 0.00 0.00 54.79 53.78 3f7x n ASP 71 Cb 0.14 -0.02 -0.01 0.00 -1.14 0.00 0.00 41.12 40.09 3f7x n ASP 71 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3f7x n GLY 72 N 1.33 0.61 0.16 6.12 0.00 -1.00 -4.91 105.19 107.50 3f7x n GLY 72 Ca 0.13 -0.67 0.12 0.00 0.00 0.00 0.00 46.02 45.60 3f7x n GLY 72 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3f7x h SER 73 N 0.00 0.00 -4.34 1.61 4.64 -1.84 -3.42 113.55 110.19 3f7x h SER 73 Ca -0.06 -0.02 -0.38 0.00 -0.47 0.00 0.00 61.79 60.86 3f7x h SER 73 Cb 0.23 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.08 3f7x h SER 73 CO 0.09 0.01 -0.77 -0.13 -0.87 0.00 0.00 176.83 175.16 3f7x s ARG 74 N -3.22 0.73 0.17 4.77 1.81 -1.26 -0.86 118.95 121.10 3f7x s ARG 74 Ca 0.06 -0.63 -0.11 0.00 -1.72 0.00 0.00 55.73 53.33 3f7x s ARG 74 Cb 0.08 -0.67 0.00 0.00 -0.45 0.00 0.00 34.95 33.91 3f7x s ARG 74 CO 0.68 0.16 0.34 0.00 -0.68 0.00 0.00 175.30 175.81 3f7x s ALA 75 N -0.81 -0.23 -0.00 2.13 0.00 -0.89 -1.38 121.76 120.57 3f7x s ALA 75 Ca -0.01 -0.72 -0.13 0.00 0.00 0.00 0.00 51.96 51.10 3f7x s ALA 75 Cb -0.07 0.85 0.02 0.00 0.00 0.00 0.00 23.12 23.92 3f7x s ALA 75 CO 0.01 -0.68 0.27 0.00 0.00 0.00 0.00 175.76 175.35 3f7x s ALA 76 N -3.94 -0.68 0.00 0.00 0.00 -1.26 -0.64 121.76 115.24 3f7x s ALA 76 Ca 0.15 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.31 3f7x s ALA 76 Cb 0.02 0.11 -0.00 0.00 0.00 0.00 0.00 23.12 23.25 3f7x s ALA 76 CO -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 175.76 175.48 3f7x s ALA 77 N -1.47 0.05 0.04 0.00 0.00 -0.19 -4.36 121.76 115.83 3f7x s ALA 77 Ca -0.13 -0.04 0.08 0.00 0.00 0.00 0.00 51.96 51.87 3f7x s ALA 77 Cb -0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 3f7x s ALA 77 CO 0.03 0.01 -0.21 -2.00 0.00 0.00 0.00 175.76 173.58 3f7x s GLU 78 N -0.05 1.44 0.21 0.00 2.12 -0.48 -0.80 118.70 121.14 3f7x s GLU 78 Ca -0.00 -0.96 -0.23 0.00 0.36 0.00 0.00 54.97 54.14 3f7x s GLU 78 Cb -0.00 -1.56 0.06 0.00 0.26 0.00 0.00 34.13 32.88 3f7x s GLU 78 CO -0.00 0.40 0.92 -0.59 -0.54 0.00 0.00 175.26 175.44 3f7x s PHE 79 N -0.80 -0.08 -0.20 5.30 -0.12 -0.86 -0.94 117.98 120.28 3f7x s PHE 79 Ca 0.08 -0.31 -0.04 0.00 -0.05 0.00 0.00 56.93 56.61 3f7x s PHE 79 Cb -0.09 0.69 -0.01 0.00 -0.63 0.00 0.00 43.02 42.97 3f7x s PHE 79 CO 0.02 -1.00 -0.05 0.99 -0.05 0.00 0.00 175.22 175.13 3f7x s THR 80 N -3.09 3.47 -0.18 -4.49 2.01 -0.09 -1.10 115.64 112.17 3f7x s THR 80 Ca 0.14 -0.47 -0.25 0.00 0.31 0.00 0.00 61.69 61.42 3f7x s THR 80 Cb -0.03 -2.56 -0.01 0.00 0.01 0.00 0.00 72.50 69.91 3f7x s THR 80 CO 0.05 0.44 0.82 -0.69 -0.69 0.00 0.00 174.62 174.55 3f7x s VAL 81 N 1.18 4.88 -0.30 3.82 1.01 0.48 -0.80 120.40 130.67 3f7x s VAL 81 Ca 0.02 1.60 -0.06 0.00 0.00 0.00 0.00 61.98 63.54 3f7x s VAL 81 Cb -0.14 -4.12 0.02 0.00 0.00 0.00 0.00 36.38 32.13 3f7x s VAL 81 CO -0.01 0.01 0.06 -1.00 0.00 0.00 0.00 175.10 174.17 3f7x s HIS 82 N 2.26 3.16 0.19 5.22 3.76 0.11 -1.49 115.29 128.51 3f7x s HIS 82 Ca 0.37 -1.16 0.02 0.00 -0.15 0.00 0.00 55.06 54.14 3f7x s HIS 82 Cb -0.16 -2.22 -0.05 0.00 1.11 0.00 0.00 32.58 31.26 3f7x s HIS 82 CO 0.11 -0.63 0.01 0.20 -0.85 0.00 0.00 174.74 173.58 3f7x s GLY 83 N 1.45 1.34 -0.03 -2.22 0.00 -0.08 -0.55 107.32 107.23 3f7x s GLY 83 Ca 0.01 -1.65 0.01 0.00 0.00 0.00 0.00 44.72 43.09 3f7x s GLY 83 CO 0.01 -1.56 -0.05 1.62 0.00 0.00 0.00 173.10 173.12 3f7x s GLN 84 N -3.92 0.78 -0.46 2.90 0.74 0.04 -1.26 119.66 118.49 3f7x s GLN 84 Ca 0.26 -0.15 -0.19 0.00 0.05 0.00 0.00 55.36 55.33 3f7x s GLN 84 Cb 0.06 -0.77 0.04 0.00 1.10 0.00 0.00 33.01 33.43 3f7x s GLN 84 CO 0.06 -0.01 0.57 -0.47 -0.55 0.00 0.00 175.29 174.89 3f7x s TYR 85 N 0.62 3.09 -0.16 1.67 5.04 -0.13 -1.66 117.35 125.83 3f7x s TYR 85 Ca -0.08 -0.35 0.06 0.00 -2.44 0.00 0.00 57.07 54.26 3f7x s TYR 85 Cb -0.12 -3.29 -0.23 0.00 0.35 0.00 0.00 41.96 38.68 3f7x s TYR 85 CO 0.00 -0.88 0.21 1.28 -1.34 0.00 0.00 175.55 174.82 3f7x n LEU 86 N 6.02 1.69 -3.72 6.97 4.77 0.63 -0.53 117.00 132.84 3f7x n LEU 86 Ca -0.05 0.12 -0.14 0.00 -0.03 0.00 0.00 56.01 55.91 3f7x n LEU 86 Cb 0.47 -0.38 -0.09 0.00 -2.33 0.00 0.00 43.42 41.09 3f7x n LEU 86 CO 0.51 0.68 0.11 0.00 -1.33 0.00 0.00 177.39 177.37 3f7x s ALA 87 N -2.54 -1.03 0.14 -1.18 0.00 -1.07 -4.63 121.76 111.44 3f7x s ALA 87 Ca -0.19 0.84 -0.34 0.00 0.00 0.00 0.00 51.96 52.28 3f7x s ALA 87 Cb 0.07 -0.28 -0.14 0.00 0.00 0.00 0.00 23.12 22.77 3f7x s ALA 87 CO 0.75 -0.25 1.58 -0.25 0.00 0.00 0.00 175.76 177.60 3f7x n ASP 88 N 1.93 3.03 -4.87 0.00 9.92 -1.26 -4.61 116.55 120.69 3f7x n ASP 88 Ca -0.18 1.08 -0.30 0.00 -0.53 0.00 0.00 54.79 54.86 3f7x n ASP 88 Cb 0.57 -1.41 -0.05 0.00 -0.64 0.00 0.00 41.12 39.59 3f7x n ASP 88 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3f7x s ASP 89 N 1.11 6.03 0.16 -2.24 2.15 -1.26 -4.96 116.67 117.66 3f7x s ASP 89 Ca 0.80 0.14 -0.31 0.00 0.43 0.00 0.00 52.55 53.62 3f7x s ASP 89 Cb -0.70 -1.77 -0.09 0.00 -0.30 0.00 0.00 42.92 40.07 3f7x s ASP 89 CO 0.39 0.15 1.38 -1.61 -0.17 0.00 0.00 175.17 175.32 3f7x s GLU 90 N -2.58 4.33 0.00 4.34 2.02 -1.26 -2.89 118.70 122.66 3f7x s GLU 90 Ca 0.33 2.12 0.00 0.00 0.02 0.00 0.00 54.97 57.43 3f7x s GLU 90 Cb -0.12 -3.21 0.00 0.00 0.10 0.00 0.00 34.13 30.90 3f7x s GLU 90 CO 0.26 -0.39 0.00 0.41 0.02 0.00 0.00 175.26 175.56 3f7x n GLY 91 N 2.99 0.51 3.46 -1.39 0.00 -1.26 -5.01 105.19 104.49 3f7x n GLY 91 Ca 0.09 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3f7x n GLY 91 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f7x s LEU 92 N 0.00 2.14 0.98 0.99 1.43 -1.14 -5.14 118.68 117.94 3f7x s LEU 92 Ca 0.00 -1.42 -0.11 0.00 -1.03 0.00 0.00 54.13 51.57 3f7x s LEU 92 Cb 0.00 -0.34 0.18 0.00 0.03 0.00 0.00 46.19 46.06 3f7x s LEU 92 CO 0.00 -0.66 1.12 -2.84 0.23 0.00 0.00 176.35 174.20 3f7x s PRO 93 N -3.87 0.48 0.29 1.29 0.02 -1.26 -4.83 135.00 127.12 3f7x s PRO 93 Ca 0.34 1.40 -0.29 0.00 0.02 0.00 0.00 61.00 62.47 3f7x s PRO 93 Cb 0.08 -1.68 -0.10 0.00 0.02 0.00 0.00 34.50 32.82 3f7x s PRO 93 CO 0.15 -2.95 1.42 0.99 -0.33 0.00 0.00 177.00 176.28 3f7x s THR 94 N -2.59 2.54 0.05 0.99 2.01 -1.26 -4.56 115.64 112.82 3f7x s THR 94 Ca 0.67 0.49 -0.20 0.00 0.31 0.00 0.00 61.69 62.96 3f7x s THR 94 Cb -0.24 -3.31 -0.06 0.00 0.01 0.00 0.00 72.50 68.90 3f7x s THR 94 CO 0.60 0.09 0.58 0.00 -0.69 0.00 0.00 174.62 175.20 3f7x s ALA 95 N -0.49 3.56 0.00 7.40 0.00 -1.26 -4.94 121.76 126.03 3f7x s ALA 95 Ca 0.56 0.03 0.11 0.00 0.00 0.00 0.00 51.96 52.66 3f7x s ALA 95 Cb -0.42 -2.67 0.17 0.00 0.00 0.00 0.00 23.12 20.20 3f7x s ALA 95 CO 0.49 0.33 1.00 0.27 0.00 0.00 0.00 175.76 177.86 3f7x n ASN 96 N 2.03 0.21 0.00 0.00 0.23 -1.25 -4.70 115.26 111.78 3f7x n ASN 96 Ca -0.09 -1.87 0.00 0.00 -0.53 0.00 0.00 54.58 52.09 3f7x n ASN 96 Cb 0.51 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 38.09 3f7x n ASN 96 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3f7x n GLY 97 N 0.20 0.52 3.71 4.83 0.00 0.32 -5.04 105.19 109.73 3f7x n GLY 97 Ca -0.03 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 3f7x n GLY 97 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3f7x n GLN 98 N -2.77 2.18 -3.50 1.61 3.00 -1.22 -4.60 117.38 112.08 3f7x n GLN 98 Ca 0.00 0.77 -0.27 0.00 -0.01 0.00 0.00 57.00 57.49 3f7x n GLN 98 Cb 0.00 -2.38 -0.03 0.00 0.00 0.00 0.00 30.24 27.83 3f7x n GLN 98 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 3f7x s THR 99 N -1.11 5.12 0.03 5.09 -4.23 -1.26 -0.95 115.64 118.33 3f7x s THR 99 Ca 0.56 -0.27 -0.10 0.00 -1.18 0.00 0.00 61.69 60.70 3f7x s THR 99 Cb -0.55 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 69.53 3f7x s THR 99 CO 0.62 -0.33 0.20 -0.72 -0.54 0.00 0.00 174.62 173.85 3f7x s TYR 100 N -2.06 0.04 -0.06 3.99 1.13 -0.39 -4.84 117.35 115.15 3f7x s TYR 100 Ca 0.40 -0.24 -0.03 0.00 -1.41 0.00 0.00 57.07 55.80 3f7x s TYR 100 Cb -0.10 -0.02 0.04 0.00 -1.10 0.00 0.00 41.96 40.77 3f7x s TYR 100 CO 0.31 -0.42 0.12 0.08 -2.51 0.00 0.00 175.55 173.13 3f7x s VAL 101 N -2.43 -0.17 -0.02 -3.49 1.01 -1.26 -0.90 120.40 113.15 3f7x s VAL 101 Ca -0.06 0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.97 3f7x s VAL 101 Cb -0.02 -0.23 0.07 0.00 0.00 0.00 0.00 36.38 36.20 3f7x s VAL 101 CO -0.03 0.14 0.65 -1.48 0.00 0.00 0.00 175.10 174.38 3f7x s LEU 102 N 1.99 -0.57 0.70 3.92 2.34 -0.55 -4.99 118.68 121.53 3f7x s LEU 102 Ca 0.01 0.58 -0.14 0.00 0.06 0.00 0.00 54.13 54.63 3f7x s LEU 102 Cb -0.12 2.48 0.02 0.00 -0.56 0.00 0.00 46.19 48.02 3f7x s LEU 102 CO -0.05 -0.66 1.14 -2.16 -1.06 0.00 0.00 176.35 173.56 3f7x s PRO 103 N -1.58 2.47 0.31 1.48 0.04 -1.26 -0.39 135.00 136.07 3f7x s PRO 103 Ca -0.09 1.48 -0.14 0.00 0.04 0.00 0.00 61.00 62.28 3f7x s PRO 103 Cb -0.00 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.66 3f7x s PRO 103 CO 0.06 -1.53 0.64 0.00 0.04 0.00 0.00 177.00 176.22 3f7x s ALA 104 N -2.32 -0.50 0.31 8.56 0.00 -0.25 -4.49 121.76 123.06 3f7x s ALA 104 Ca 0.68 -0.78 -0.19 0.00 0.00 0.00 0.00 51.96 51.67 3f7x s ALA 104 Cb -0.23 0.90 0.03 0.00 0.00 0.00 0.00 23.12 23.82 3f7x s ALA 104 CO 0.45 -0.94 0.72 0.20 0.00 0.00 0.00 175.76 176.19 3f7x s GLY 105 N -3.04 0.10 0.01 0.00 0.00 -0.29 -2.04 107.32 102.07 3f7x s GLY 105 Ca 0.18 -0.48 -0.14 0.00 0.00 0.00 0.00 44.72 44.29 3f7x s GLY 105 CO 0.11 -0.20 0.29 0.00 0.00 0.00 0.00 173.10 173.30 3f7x s ALA 106 N -3.50 -0.68 0.08 3.20 0.00 0.02 -1.20 121.76 119.68 3f7x s ALA 106 Ca 0.13 0.13 0.09 0.00 0.00 0.00 0.00 51.96 52.32 3f7x s ALA 106 Cb -0.05 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 3f7x s ALA 106 CO 0.09 -0.32 -0.23 -0.06 0.00 0.00 0.00 175.76 175.24 3f7x s PHE 107 N -1.86 2.41 0.03 0.00 0.08 -0.31 -1.03 117.98 117.31 3f7x s PHE 107 Ca -0.10 -0.34 0.05 0.00 0.12 0.00 0.00 56.93 56.66 3f7x s PHE 107 Cb -0.03 -1.37 -0.02 0.00 -0.57 0.00 0.00 43.02 41.03 3f7x s PHE 107 CO 0.01 0.25 -0.14 -0.06 -0.10 0.00 0.00 175.22 175.18 3f7x s PHE 108 N -0.95 1.20 -0.10 0.36 0.40 0.19 -0.75 117.98 118.34 3f7x s PHE 108 Ca 0.14 -0.34 0.02 0.00 -0.60 0.00 0.00 56.93 56.15 3f7x s PHE 108 Cb -0.10 -0.72 -0.02 0.00 0.51 0.00 0.00 43.02 42.69 3f7x s PHE 108 CO 0.05 0.03 -0.16 -0.47 0.70 0.00 0.00 175.22 175.37 3f7x s TYR 109 N -0.79 2.72 -0.07 0.36 5.04 -0.85 -2.08 117.35 121.67 3f7x s TYR 109 Ca 0.02 -0.54 0.04 0.00 -2.44 0.00 0.00 57.07 54.15 3f7x s TYR 109 Cb -0.08 -1.74 -0.00 0.00 0.35 0.00 0.00 41.96 40.49 3f7x s TYR 109 CO 0.01 -0.11 -0.20 0.42 -1.34 0.00 0.00 175.55 174.33 3f7x s ILE 110 N -0.03 1.74 -0.12 3.14 1.01 -0.04 -0.43 121.20 126.47 3f7x s ILE 110 Ca -0.04 -0.86 -0.08 0.00 0.00 0.00 0.00 60.65 59.67 3f7x s ILE 110 Cb -0.14 -1.51 0.04 0.00 0.01 0.00 0.00 42.46 40.86 3f7x s ILE 110 CO 0.04 0.49 0.31 -2.28 0.00 0.00 0.00 174.94 173.50 3f7x s HIS 111 N 0.24 -0.40 -1.49 3.97 2.46 -0.41 -4.46 115.29 115.21 3f7x s HIS 111 Ca -0.12 0.92 -0.12 0.00 0.47 0.00 0.00 55.06 56.21 3f7x s HIS 111 Cb -0.15 0.13 0.08 0.00 -0.13 0.00 0.00 32.58 32.50 3f7x s HIS 111 CO 0.05 -0.23 0.83 0.00 -2.47 0.00 0.00 174.74 172.92 3f7x n GLY 113 N -1.54 0.65 3.28 0.00 0.00 -1.26 -5.01 105.19 101.30 3f7x n GLY 113 Ca 0.02 -0.29 -0.15 0.00 0.00 0.00 0.00 46.02 45.60 3f7x n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f7x s LYS 114 N -1.73 1.14 -0.33 1.61 1.02 -0.74 -5.02 119.74 115.68 3f7x s LYS 114 Ca 0.00 -1.50 -0.29 0.00 0.02 0.00 0.00 55.97 54.20 3f7x s LYS 114 Cb 0.00 -0.72 0.01 0.00 -0.52 0.00 0.00 37.83 36.60 3f7x s LYS 114 CO 0.00 0.08 1.19 0.42 -0.92 0.00 0.00 175.35 176.12 3f7x s ILE 115 N -3.27 4.30 -0.39 2.17 1.01 -0.03 -1.28 121.20 123.71 3f7x s ILE 115 Ca 0.19 1.46 0.21 0.00 0.00 0.00 0.00 60.65 62.51 3f7x s ILE 115 Cb 0.02 -4.32 -0.29 0.00 0.01 0.00 0.00 42.46 37.89 3f7x s ILE 115 CO 0.02 -0.55 0.61 0.00 0.00 0.00 0.00 174.94 175.03 3f7x n ALA 116 N 7.36 3.50 -3.43 9.38 0.00 0.42 -0.75 120.51 137.00 3f7x n ALA 116 Ca 0.13 -0.53 -0.12 0.00 0.00 0.00 0.00 53.44 52.92 3f7x n ALA 116 Cb 0.47 -0.73 -0.11 0.00 0.00 0.00 0.00 19.45 19.08 3f7x n ALA 116 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3f7x s ARG 117 N -3.25 0.37 -0.14 0.00 3.52 -0.93 -1.03 118.95 117.49 3f7x s ARG 117 Ca -0.02 0.57 0.01 0.00 -0.13 0.00 0.00 55.73 56.16 3f7x s ARG 117 Cb 0.14 0.09 0.02 0.00 -1.56 0.00 0.00 34.95 33.64 3f7x s ARG 117 CO 0.86 -0.09 -0.16 0.08 -0.81 0.00 0.00 175.30 175.17 3f7x s VAL 118 N 0.65 1.67 -0.24 7.11 1.01 0.02 -2.01 120.40 128.62 3f7x s VAL 118 Ca -0.04 -0.72 -0.00 0.00 0.00 0.00 0.00 61.98 61.22 3f7x s VAL 118 Cb -0.05 -1.54 0.03 0.00 0.00 0.00 0.00 36.38 34.82 3f7x s VAL 118 CO -0.04 0.48 -0.09 -0.89 0.00 0.00 0.00 175.10 174.55 3f7x s THR 119 N 1.24 2.62 -0.07 3.92 2.01 0.07 -0.75 115.64 124.68 3f7x s THR 119 Ca 0.00 -1.11 -0.12 0.00 0.31 0.00 0.00 61.69 60.77 3f7x s THR 119 Cb -0.14 -2.33 -0.05 0.00 0.01 0.00 0.00 72.50 70.00 3f7x s THR 119 CO -0.07 0.22 0.30 0.20 -0.69 0.00 0.00 174.62 174.58 3f7x s ASN 120 N 1.28 6.60 0.00 3.53 0.01 -0.68 -1.16 114.94 124.52 3f7x s ASN 120 Ca -0.01 0.72 0.01 0.00 -0.71 0.00 0.00 52.86 52.87 3f7x s ASN 120 Cb -0.17 -2.18 -0.00 0.00 0.41 0.00 0.00 41.25 39.31 3f7x s ASN 120 CO -0.06 0.30 -0.04 -0.31 -1.51 0.00 0.00 177.10 175.48 3f7x s TYR 121 N -0.72 0.32 0.11 2.20 2.02 -0.34 -3.59 117.35 117.35 3f7x s TYR 121 Ca 0.20 -0.09 -0.26 0.00 -0.37 0.00 0.00 57.07 56.54 3f7x s TYR 121 Cb -0.14 -0.20 0.08 0.00 -0.40 0.00 0.00 41.96 41.29 3f7x s TYR 121 CO 0.08 -0.01 1.00 1.52 -1.57 0.00 0.00 175.55 176.57 3f7x s TYR 122 N -0.19 -0.14 -0.67 2.71 1.13 -1.26 -1.13 117.35 117.79 3f7x s TYR 122 Ca 0.00 -0.11 -0.25 0.00 -1.41 0.00 0.00 57.07 55.30 3f7x s TYR 122 Cb -0.02 0.61 0.05 0.00 -1.10 0.00 0.00 41.96 41.50 3f7x s TYR 122 CO -0.00 -0.71 1.10 1.21 -2.51 0.00 0.00 175.55 174.64 3f7x s ASN 123 N -2.88 6.21 0.32 -0.18 3.84 -1.26 -4.88 114.94 116.10 3f7x s ASN 123 Ca 0.12 -0.62 0.03 0.00 0.21 0.00 0.00 52.86 52.59 3f7x s ASN 123 Cb -0.00 -2.49 0.54 0.00 -0.55 0.00 0.00 41.25 38.75 3f7x s ASN 123 CO 0.00 -1.57 1.85 0.25 -2.79 0.00 0.00 177.10 174.84 3f7x h LEU 124 N 12.00 0.56 -0.77 3.21 5.85 -1.98 -2.25 115.31 131.94 3f7x h LEU 124 Ca -0.28 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.29 3f7x h LEU 124 Cb 1.06 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.91 3f7x h LEU 124 CO 1.21 0.62 0.31 0.78 -0.34 0.00 0.00 178.44 181.03 3f7x h ASN 125 N 0.57 1.06 -0.42 1.25 2.35 -1.99 -0.09 115.58 118.31 3f7x h ASN 125 Ca 0.12 -0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 3f7x h ASN 125 Cb 0.34 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 3f7x h ASN 125 CO 0.01 0.94 0.14 -0.78 -1.65 0.00 0.00 177.43 176.08 3f7x h ASP 126 N 1.11 0.60 -0.21 5.81 3.58 -1.89 -0.98 116.42 124.45 3f7x h ASP 126 Ca 0.26 -0.20 -0.00 0.00 0.42 0.00 0.00 57.03 57.51 3f7x h ASP 126 Cb 0.21 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 3f7x h ASP 126 CO -0.02 0.64 0.13 -0.25 -2.88 0.00 0.00 179.24 176.86 3f7x h TRP 127 N 0.53 0.27 -0.79 0.28 7.01 -1.01 -1.28 115.95 120.96 3f7x h TRP 127 Ca 0.14 0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.18 3f7x h TRP 127 Cb 0.25 -0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 27.17 3f7x h TRP 127 CO 0.01 0.20 0.50 0.28 -2.79 0.00 0.00 178.44 176.64 3f7x h VAL 128 N 0.26 1.10 -0.67 2.65 2.07 -0.91 -1.73 116.25 119.01 3f7x h VAL 128 Ca 0.07 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 3f7x h VAL 128 Cb 0.01 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 29.80 3f7x h VAL 128 CO -0.01 0.18 0.31 -0.33 0.02 0.00 0.00 177.57 177.73 3f7x h GLU 129 N 0.96 0.95 -0.04 1.57 3.07 -0.76 0.83 114.58 121.16 3f7x h GLU 129 Ca 0.33 -0.13 -0.09 0.00 -0.50 0.00 0.00 59.36 58.96 3f7x h GLU 129 Cb 0.05 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 27.77 3f7x h GLU 129 CO -0.13 0.74 -0.41 1.96 -1.40 0.00 0.00 179.01 179.78 3f7x h GLN 130 N 0.95 0.09 0.00 2.33 4.20 -0.37 -3.32 115.11 118.99 3f7x h GLN 130 Ca 0.23 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.90 3f7x h GLN 130 Cb 0.11 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3f7x h GLN 130 CO -0.03 0.49 -1.23 1.33 -0.67 0.00 0.00 178.83 178.73 3f7x n VAL 131 N -4.04 0.00 1.59 -0.54 0.24 -0.89 -4.93 118.33 109.77 3f7x n VAL 131 Ca -0.02 -0.26 0.13 0.00 -2.04 0.00 0.00 64.34 62.15 3f7x n VAL 131 Cb 0.45 0.52 0.76 0.00 -1.47 0.00 0.00 33.84 34.10 3f7x n VAL 131 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69