#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1t h ASN 4 N 0.00 -0.17 -0.34 4.31 -1.07 -1.98 0.38 115.58 116.71 3f1t h ASN 4 Ca 0.00 -0.15 -0.10 0.00 0.07 0.00 0.00 56.30 56.12 3f1t h ASN 4 Cb 0.00 0.04 -0.02 0.00 -2.07 0.00 0.00 38.32 36.28 3f1t h ASN 4 CO 0.00 0.05 -0.15 -0.65 0.07 0.00 0.00 177.43 176.75 3f1t h PRO 5 N -0.39 0.79 0.00 4.14 0.11 -1.99 0.05 132.00 134.70 3f1t h PRO 5 Ca -0.02 -0.28 -0.14 0.00 0.11 0.00 0.00 66.00 65.66 3f1t h PRO 5 Cb 0.31 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 3f1t h PRO 5 CO 0.03 0.89 -0.68 -0.07 -0.21 0.00 0.00 178.00 177.97 3f1t h LEU 6 N 0.71 0.00 -0.26 2.35 3.38 -1.88 -2.08 115.31 117.53 3f1t h LEU 6 Ca 0.11 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 3f1t h LEU 6 Cb 0.64 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 3f1t h LEU 6 CO 0.05 0.68 -0.29 0.25 0.09 0.00 0.00 178.44 179.21 3f1t h LEU 7 N 0.00 0.71 -0.12 1.67 5.85 0.03 0.39 115.31 123.84 3f1t h LEU 7 Ca -0.01 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.23 3f1t h LEU 7 Cb 1.22 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 3f1t h LEU 7 CO 0.09 1.05 0.08 -0.33 -0.34 0.00 0.00 178.44 178.99 3f1t h GLU 8 N 0.39 0.16 0.06 1.25 4.39 -0.86 -0.35 114.58 119.62 3f1t h GLU 8 Ca 0.04 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.74 3f1t h GLU 8 Cb 0.87 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.47 3f1t h GLU 8 CO 0.07 0.10 -0.11 -0.09 -1.16 0.00 0.00 179.01 177.83 3f1t h ARG 9 N 0.16 -0.21 -0.97 2.33 2.43 -1.30 -1.01 114.38 115.81 3f1t h ARG 9 Ca 0.05 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.34 3f1t h ARG 9 Cb -0.01 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 29.51 3f1t h ARG 9 CO -0.01 -0.14 0.62 0.00 -1.51 0.00 0.00 179.97 178.92 3f1t h ALA 10 N 0.70 1.56 -0.15 2.80 0.00 -0.68 0.39 119.26 123.88 3f1t h ALA 10 Ca 0.02 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3f1t h ALA 10 Cb 0.23 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3f1t h ALA 10 CO -0.06 0.21 -0.20 0.00 0.00 0.00 0.00 179.25 179.20 3f1t h ARG 11 N 0.96 0.40 -0.46 0.00 3.08 -0.74 -0.68 114.38 116.95 3f1t h ARG 11 Ca 0.47 -0.23 0.06 0.00 0.07 0.00 0.00 59.98 60.34 3f1t h ARG 11 Cb 0.46 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.48 3f1t h ARG 11 CO -0.23 0.81 0.18 -0.09 -1.07 0.00 0.00 179.97 179.57 3f1t h ARG 12 N 0.02 0.35 -0.24 0.04 2.43 -0.98 -1.94 114.38 114.06 3f1t h ARG 12 Ca 0.02 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 3f1t h ARG 12 Cb 0.77 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 30.16 3f1t h ARG 12 CO 0.05 0.23 -0.29 0.35 -1.51 0.00 0.00 179.97 178.80 3f1t h PHE 13 N 0.36 -0.78 -0.86 2.20 3.04 -0.82 -2.65 116.94 117.43 3f1t h PHE 13 Ca 0.21 0.04 0.05 0.00 3.98 0.00 0.00 57.97 62.26 3f1t h PHE 13 Cb 0.20 0.38 -0.05 0.00 2.56 0.00 0.00 35.95 39.03 3f1t h PHE 13 CO -0.14 -0.36 0.57 1.25 -2.02 0.00 0.00 178.31 177.60 3f1t h LEU 14 N -0.30 0.88 -2.28 0.59 5.85 -0.94 -2.15 115.31 116.95 3f1t h LEU 14 Ca 0.13 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3f1t h LEU 14 Cb 0.51 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 3f1t h LEU 14 CO -0.41 0.58 -0.03 0.77 -0.34 0.00 0.00 178.44 179.01 3f1t h SER 15 N 1.01 0.00 1.36 1.25 4.64 -0.99 -1.65 113.55 119.17 3f1t h SER 15 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3f1t h SER 15 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3f1t h SER 15 CO -0.12 0.03 0.00 0.00 -0.87 0.00 0.00 176.83 175.87 3f1t h ALA 16 N 1.97 1.00 -0.88 5.18 0.00 -1.29 -3.39 119.26 121.85 3f1t h ALA 16 Ca -0.00 0.00 -0.76 0.00 0.00 0.00 0.00 54.91 54.15 3f1t h ALA 16 Cb 0.22 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.86 3f1t h ALA 16 CO 0.00 0.00 2.07 1.28 0.00 0.00 0.00 179.25 182.60 3f1t n LEU 17 N -2.39 6.73 0.16 0.00 4.32 -0.62 -4.78 117.00 120.42 3f1t n LEU 17 Ca 0.04 -4.65 0.01 0.00 -0.02 0.00 0.00 56.01 51.39 3f1t n LEU 17 Cb 0.39 -1.48 0.26 0.00 -1.62 0.00 0.00 43.42 40.98 3f1t n LEU 17 CO 0.28 1.41 0.60 0.03 -1.22 0.00 0.00 177.39 178.49 3f1t h ARG 18 N 5.69 0.00 0.00 3.23 3.08 -1.83 -2.86 114.38 121.68 3f1t h ARG 18 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.46 3f1t h ARG 18 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3f1t h ARG 18 CO 1.63 0.50 0.00 -2.39 -1.07 0.00 0.00 179.97 178.64 3f1t n HIS 19 N -3.92 0.78 0.01 3.04 1.44 -1.26 -1.53 115.22 113.78 3f1t n HIS 19 Ca -0.01 0.31 0.01 0.00 -2.01 0.00 0.00 57.72 56.01 3f1t n HIS 19 Cb 0.52 -0.99 0.02 0.00 0.12 0.00 0.00 29.99 29.66 3f1t n HIS 19 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3f1t n GLN 21 N -0.15 0.15 0.20 0.00 1.13 -0.59 -1.23 117.38 116.89 3f1t n GLN 21 Ca 0.02 0.53 0.14 0.00 -1.94 0.00 0.00 57.00 55.75 3f1t n GLN 21 Cb 0.20 -1.88 0.51 0.00 0.11 0.00 0.00 30.24 29.19 3f1t n GLN 21 CO 0.00 0.00 0.00 -0.39 -1.44 0.00 0.00 177.06 175.23 3f1t h VAL 22 N 0.00 0.00 0.00 5.09 -1.51 -1.80 -2.36 116.25 115.66 3f1t h VAL 22 Ca 0.00 -0.48 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 3f1t h VAL 22 Cb 0.16 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 30.71 3f1t h VAL 22 CO 0.00 0.00 -0.19 0.18 -1.23 0.00 0.00 177.57 176.33 3f1t n LEU 23 N -2.70 0.38 -1.22 4.19 4.32 -0.37 -4.93 117.00 116.67 3f1t n LEU 23 Ca 0.02 0.38 -0.12 0.00 -0.02 0.00 0.00 56.01 56.27 3f1t n LEU 23 Cb 0.33 -0.37 -0.02 0.00 -1.62 0.00 0.00 43.42 41.74 3f1t n LEU 23 CO 0.26 -0.02 -0.14 0.61 -1.22 0.00 0.00 177.39 176.88 3f1t n GLY 24 N 1.43 0.37 3.75 -0.72 0.00 -0.89 -4.31 105.19 104.82 3f1t n GLY 24 Ca 0.06 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 3f1t n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f1t s LEU 25 N -3.23 4.38 0.12 0.99 1.02 -1.26 -4.48 118.68 116.22 3f1t s LEU 25 Ca 0.00 2.76 0.06 0.00 0.02 0.00 0.00 54.13 56.98 3f1t s LEU 25 Cb 0.00 -3.63 -0.04 0.00 0.02 0.00 0.00 46.19 42.54 3f1t s LEU 25 CO 0.00 -0.74 -0.15 0.42 0.02 0.00 0.00 176.35 175.90 3f1t s THR 26 N -0.26 1.41 -0.27 5.49 -4.23 -0.63 -4.97 115.64 112.17 3f1t s THR 26 Ca 0.58 -1.71 -0.19 0.00 -1.18 0.00 0.00 61.69 59.19 3f1t s THR 26 Cb -0.43 -1.55 -0.02 0.00 1.34 0.00 0.00 72.50 71.84 3f1t s THR 26 CO 0.47 -0.37 0.55 -0.69 -0.54 0.00 0.00 174.62 174.05 3f1t s VAL 27 N -2.02 5.03 -0.08 2.29 1.01 -1.26 -0.39 120.40 124.98 3f1t s VAL 27 Ca 0.09 0.92 -0.03 0.00 0.00 0.00 0.00 61.98 62.96 3f1t s VAL 27 Cb -0.06 -3.88 -0.26 0.00 0.00 0.00 0.00 36.38 32.18 3f1t s VAL 27 CO 0.04 0.04 0.53 -0.33 0.00 0.00 0.00 175.10 175.37 3f1t h GLU 28 N 8.02 0.23 -2.16 2.72 4.39 -0.71 -3.49 114.58 123.59 3f1t h GLU 28 Ca -0.28 -0.39 -0.06 0.00 0.34 0.00 0.00 59.36 58.97 3f1t h GLU 28 Cb 1.13 0.14 -0.20 0.00 -0.10 0.00 0.00 28.75 29.73 3f1t h GLU 28 CO 0.74 1.07 0.10 0.00 -1.16 0.00 0.00 179.01 179.76 3f1t s ALA 29 N -2.58 -1.62 -0.15 3.43 0.00 -1.13 -5.00 121.76 114.72 3f1t s ALA 29 Ca -0.16 1.41 -0.12 0.00 0.00 0.00 0.00 51.96 53.09 3f1t s ALA 29 Cb 0.07 -0.37 0.04 0.00 0.00 0.00 0.00 23.12 22.86 3f1t s ALA 29 CO 0.80 -0.34 0.38 0.00 0.00 0.00 0.00 175.76 176.60 3f1t s ALA 30 N -0.66 -0.95 0.07 0.00 0.00 -1.26 -1.05 121.76 117.91 3f1t s ALA 30 Ca -0.07 1.18 -0.09 0.00 0.00 0.00 0.00 51.96 52.98 3f1t s ALA 30 Cb -0.02 -0.70 0.03 0.00 0.00 0.00 0.00 23.12 22.43 3f1t s ALA 30 CO 0.06 -0.20 0.42 -0.40 0.00 0.00 0.00 175.76 175.64 3f1t n ASP 31 N 3.29 -0.68 0.18 0.00 3.85 -0.38 -3.45 116.55 119.36 3f1t n ASP 31 Ca -0.16 -1.35 0.16 0.00 -0.71 0.00 0.00 54.79 52.73 3f1t n ASP 31 Cb 0.57 1.11 0.78 0.00 -1.35 0.00 0.00 41.12 42.23 3f1t n ASP 31 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 3f1t h GLU 32 N 0.00 0.00 0.00 0.11 9.09 -1.98 -0.76 114.58 121.04 3f1t h GLU 32 Ca -0.11 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.30 3f1t h GLU 32 Cb 0.48 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.58 3f1t h GLU 32 CO 0.15 0.00 -0.70 1.63 0.05 0.00 0.00 179.01 180.13 3f1t n LYS 33 N -4.00 0.09 -2.31 1.06 5.02 -1.26 -4.87 118.16 111.89 3f1t n LYS 33 Ca 0.02 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 3f1t n LYS 33 Cb 0.34 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 3f1t n LYS 33 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3f1t n GLY 34 N 1.46 -0.31 2.93 0.72 0.00 -0.29 -4.76 105.19 104.93 3f1t n GLY 34 Ca 0.04 -1.51 -0.13 0.00 0.00 0.00 0.00 46.02 44.42 3f1t n GLY 34 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3f1t s LEU 35 N 0.00 1.02 -0.14 0.99 2.96 -0.61 -1.25 118.68 121.65 3f1t s LEU 35 Ca 0.00 0.25 0.02 0.00 -0.22 0.00 0.00 54.13 54.18 3f1t s LEU 35 Cb 0.00 0.33 0.01 0.00 0.50 0.00 0.00 46.19 47.03 3f1t s LEU 35 CO 0.00 -0.11 -0.19 -0.89 -1.32 0.00 0.00 176.35 173.83 3f1t s THR 36 N 0.81 1.88 0.34 3.68 2.01 -0.21 -1.53 115.64 122.62 3f1t s THR 36 Ca -0.06 -0.86 0.08 0.00 0.31 0.00 0.00 61.69 61.15 3f1t s THR 36 Cb -0.08 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.70 3f1t s THR 36 CO -0.04 0.51 0.19 -0.76 -0.69 0.00 0.00 174.62 173.84 3f1t s LEU 37 N 0.98 3.38 -0.02 4.42 1.02 -0.10 0.05 118.68 128.41 3f1t s LEU 37 Ca -0.04 -0.67 0.03 0.00 0.02 0.00 0.00 54.13 53.47 3f1t s LEU 37 Cb -0.15 -1.91 -0.00 0.00 0.02 0.00 0.00 46.19 44.15 3f1t s LEU 37 CO -0.04 -0.30 -0.12 -0.60 0.02 0.00 0.00 176.35 175.31 3f1t s ARG 38 N -3.89 1.13 -0.34 1.70 3.52 0.48 -0.46 118.95 121.09 3f1t s ARG 38 Ca 0.38 -0.40 -0.08 0.00 -0.13 0.00 0.00 55.73 55.50 3f1t s ARG 38 Cb -0.04 -1.04 0.02 0.00 -1.56 0.00 0.00 34.95 32.33 3f1t s ARG 38 CO 0.24 0.18 0.14 -1.17 -0.81 0.00 0.00 175.30 173.88 3f1t s LEU 39 N 0.02 4.30 0.10 -0.88 2.96 0.73 -1.61 118.68 124.30 3f1t s LEU 39 Ca -0.01 -0.90 -0.31 0.00 -0.22 0.00 0.00 54.13 52.69 3f1t s LEU 39 Cb -0.08 -1.94 -0.08 0.00 0.50 0.00 0.00 46.19 44.59 3f1t s LEU 39 CO 0.00 -0.29 1.52 -2.16 -1.32 0.00 0.00 176.35 174.10 3f1t s PRO 40 N 1.50 4.25 0.40 0.98 0.04 -1.26 -1.69 135.00 139.23 3f1t s PRO 40 Ca 0.01 2.21 0.09 0.00 0.04 0.00 0.00 61.00 63.35 3f1t s PRO 40 Cb -0.18 -3.38 0.85 0.00 0.04 0.00 0.00 34.50 31.82 3f1t s PRO 40 CO 0.04 -0.59 1.99 0.10 0.04 0.00 0.00 177.00 178.58 3f1t h TYR 41 N 7.41 0.35 -0.00 0.56 -0.00 -1.93 -2.42 116.97 120.94 3f1t h TYR 41 Ca -0.42 -0.02 0.00 0.00 0.00 0.00 0.00 58.73 58.30 3f1t h TYR 41 Cb 1.20 -0.11 -0.00 0.00 0.00 0.00 0.00 36.73 37.82 3f1t h TYR 41 CO 0.71 0.33 0.03 0.66 -0.00 0.00 0.00 178.16 179.89 3f1t h SER 42 N 0.35 0.00 -0.03 0.10 4.64 -1.94 -2.14 113.55 114.52 3f1t h SER 42 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3f1t h SER 42 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3f1t h SER 42 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3f1t n GLN 43 N -3.18 1.88 -0.32 4.77 1.13 -0.91 -4.15 117.38 116.60 3f1t n GLN 43 Ca -0.03 -1.28 0.01 0.00 -1.94 0.00 0.00 57.00 53.76 3f1t n GLN 43 Cb 0.10 -1.47 0.01 0.00 0.11 0.00 0.00 30.24 28.99 3f1t n GLN 43 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3f1t n ALA 44 N 0.55 1.76 -1.77 -1.58 0.00 -0.81 -4.72 120.51 113.94 3f1t n ALA 44 Ca 0.17 -1.01 -0.41 0.00 0.00 0.00 0.00 53.44 52.20 3f1t n ALA 44 Cb 0.43 -0.34 -0.02 0.00 0.00 0.00 0.00 19.45 19.52 3f1t n ALA 44 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3f1t s ILE 45 N -0.27 2.53 -0.08 0.00 -1.09 -1.22 -0.88 121.20 120.18 3f1t s ILE 45 Ca 0.03 0.53 0.04 0.00 -2.23 0.00 0.00 60.65 59.02 3f1t s ILE 45 Cb 0.02 -3.34 -0.00 0.00 -1.58 0.00 0.00 42.46 37.56 3f1t s ILE 45 CO 0.00 0.13 -0.22 -0.51 -1.23 0.00 0.00 174.94 173.11 3f1t s ILE 46 N -1.14 1.86 0.00 2.92 2.07 -0.71 -4.80 121.20 121.40 3f1t s ILE 46 Ca 0.50 -0.92 0.00 0.00 -1.41 0.00 0.00 60.65 58.82 3f1t s ILE 46 Cb -0.42 -1.61 0.00 0.00 0.13 0.00 0.00 42.46 40.56 3f1t s ILE 46 CO 0.56 0.52 0.00 0.61 -1.91 0.00 0.00 174.94 174.71 3f1t n GLY 47 N 3.43 0.20 3.69 1.50 0.00 -1.26 -4.71 105.19 108.03 3f1t n GLY 47 Ca -0.19 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 3f1t n GLY 47 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3f1t s ASN 48 N -4.00 7.11 0.61 1.61 3.84 -1.26 -4.91 114.94 117.93 3f1t s ASN 48 Ca 0.00 1.76 0.30 0.00 0.21 0.00 0.00 52.86 55.13 3f1t s ASN 48 Cb 0.00 -2.56 1.65 0.00 -0.55 0.00 0.00 41.25 39.79 3f1t s ASN 48 CO 0.00 -0.53 2.03 1.55 -2.79 0.00 0.00 177.10 177.36 3f1t h PRO 49 N 7.29 0.00 0.00 0.43 0.13 -1.94 0.32 132.00 138.23 3f1t h PRO 49 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3f1t h PRO 49 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3f1t h PRO 49 CO 0.86 0.00 0.00 1.49 -0.23 0.00 0.00 178.00 180.12 3f1t h GLU 50 N 0.00 0.00 -0.00 0.86 4.81 -2.00 -3.14 114.58 115.11 3f1t h GLU 50 Ca 0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3f1t h GLU 50 Cb 0.68 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.06 3f1t h GLU 50 CO -0.00 0.00 -0.89 0.43 -0.73 0.00 0.00 179.01 177.82 3f1t n SER 51 N -3.00 1.14 -1.13 1.04 7.64 0.10 -4.98 113.62 114.44 3f1t n SER 51 Ca -0.00 -1.05 -0.15 0.00 1.01 0.00 0.00 58.87 58.68 3f1t n SER 51 Cb 0.22 0.88 -0.06 0.00 -1.01 0.00 0.00 64.21 64.24 3f1t n SER 51 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3f1t n GLY 52 N 1.49 1.46 3.68 0.23 0.00 -1.19 -4.66 105.19 106.20 3f1t n GLY 52 Ca 0.05 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 3f1t n GLY 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f1t s VAL 53 N -2.39 4.91 -0.01 1.61 1.01 -1.26 -0.74 120.40 123.53 3f1t s VAL 53 Ca 0.00 1.60 -0.25 0.00 0.00 0.00 0.00 61.98 63.33 3f1t s VAL 53 Cb 0.00 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 3f1t s VAL 53 CO 0.00 0.07 0.77 -0.69 0.00 0.00 0.00 175.10 175.25 3f1t s VAL 54 N 1.87 4.89 0.20 2.92 1.01 -1.26 -1.74 120.40 128.29 3f1t s VAL 54 Ca 0.38 1.61 -0.30 0.00 0.00 0.00 0.00 61.98 63.67 3f1t s VAL 54 Cb -0.17 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 32.01 3f1t s VAL 54 CO 0.14 0.29 1.40 -2.28 0.00 0.00 0.00 175.10 174.64 3f1t s HIS 55 N 0.47 3.15 0.32 5.22 2.46 -0.06 -4.86 115.29 121.99 3f1t s HIS 55 Ca 0.40 1.04 0.04 0.00 0.47 0.00 0.00 55.06 57.01 3f1t s HIS 55 Cb -0.19 -3.73 0.66 0.00 -0.13 0.00 0.00 32.58 29.19 3f1t s HIS 55 CO 0.22 -2.42 1.87 0.78 -2.47 0.00 0.00 174.74 172.72 3f1t h GLY 56 N 5.64 1.37 2.00 1.59 0.00 -1.96 -1.16 103.07 110.55 3f1t h GLY 56 Ca -0.44 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 46.47 3f1t h GLY 56 CO 0.80 0.17 -0.21 -1.33 0.00 0.00 0.00 176.54 175.97 3f1t h GLY 57 N 0.87 0.00 0.94 4.60 0.00 -1.97 -1.93 103.07 105.58 3f1t h GLY 57 Ca 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.76 3f1t h GLY 57 CO -0.21 0.00 0.15 0.00 0.00 0.00 0.00 176.54 176.48 3f1t h ALA 58 N 1.79 0.40 -0.10 3.60 0.00 -1.57 -2.56 119.26 120.83 3f1t h ALA 58 Ca -0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3f1t h ALA 58 Cb 0.49 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3f1t h ALA 58 CO 0.03 -0.04 -0.32 0.82 0.00 0.00 0.00 179.25 179.74 3f1t h ILE 59 N 0.36 1.26 0.28 0.00 2.04 -1.34 -0.31 117.51 119.81 3f1t h ILE 59 Ca 0.11 -1.24 -0.00 0.00 1.00 0.00 0.00 64.86 64.72 3f1t h ILE 59 Cb 0.12 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 3f1t h ILE 59 CO -0.01 0.37 -0.22 0.74 0.00 0.00 0.00 178.15 179.02 3f1t h THR 60 N 0.16 0.53 -0.44 -0.27 2.02 -1.32 -2.66 112.91 110.93 3f1t h THR 60 Ca 0.02 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.27 3f1t h THR 60 Cb 0.64 0.53 -0.06 0.00 -1.74 0.00 0.00 68.15 67.52 3f1t h THR 60 CO 0.05 0.00 0.08 0.74 0.37 0.00 0.00 175.52 176.76 3f1t h THR 61 N -0.51 0.75 0.00 3.16 2.02 -1.14 0.43 112.91 117.62 3f1t h THR 61 Ca -0.02 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3f1t h THR 61 Cb 0.45 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 3f1t h THR 61 CO -0.01 0.04 0.00 -0.11 0.37 0.00 0.00 175.52 175.81 3f1t n LEU 62 N -5.11 0.00 0.00 2.58 7.94 -0.15 -0.32 117.00 121.93 3f1t n LEU 62 Ca 0.04 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.94 3f1t n LEU 62 Cb 0.21 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.16 3f1t n LEU 62 CO 0.22 0.00 0.00 -0.67 -1.11 0.00 0.00 177.39 175.83 3f1t n ASP 64 N -0.51 0.00 -0.06 1.96 2.03 0.15 0.08 116.55 120.20 3f1t n ASP 64 Ca 0.00 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.21 3f1t n ASP 64 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 3f1t n ASP 64 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 3f1t h THR 65 N 0.00 1.15 0.01 5.18 2.02 -0.87 -1.61 112.91 118.78 3f1t h THR 65 Ca 0.00 -0.43 0.03 0.00 0.77 0.00 0.00 66.41 66.78 3f1t h THR 65 Cb 0.00 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 3f1t h THR 65 CO 0.00 0.14 -0.22 0.74 0.37 0.00 0.00 175.52 176.55 3f1t h THR 66 N 0.22 0.49 -0.29 3.16 2.02 -0.56 -0.33 112.91 117.63 3f1t h THR 66 Ca 0.08 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.29 3f1t h THR 66 Cb 0.13 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 3f1t h THR 66 CO -0.01 0.00 0.10 0.00 0.37 0.00 0.00 175.52 175.98 3f1t h GLY 68 N 0.23 0.42 2.00 0.00 0.00 -1.12 -2.83 103.07 101.77 3f1t h GLY 68 Ca 0.13 0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.48 3f1t h GLY 68 CO -0.13 -0.12 -0.19 -2.22 0.00 0.00 0.00 176.54 173.88 3f1t h ILE 69 N 0.09 0.36 0.00 2.60 2.04 -0.91 -2.91 117.51 118.79 3f1t h ILE 69 Ca 0.21 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.76 3f1t h ILE 69 Cb 0.31 2.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 3f1t h ILE 69 CO -0.37 0.19 0.00 -1.54 0.00 0.00 0.00 178.15 176.43 3f1t n SER 70 N -3.19 0.30 0.31 1.72 3.41 -0.57 -1.38 113.62 114.22 3f1t n SER 70 Ca 0.02 0.59 0.18 0.00 -0.26 0.00 0.00 58.87 59.40 3f1t n SER 70 Cb 0.54 -0.65 0.99 0.00 -0.26 0.00 0.00 64.21 64.83 3f1t n SER 70 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3f1t h THR 71 N 0.00 0.30 0.00 6.66 1.35 -1.57 -0.82 112.91 118.84 3f1t h THR 71 Ca 0.00 -0.11 -0.00 0.00 -0.55 0.00 0.00 66.41 65.74 3f1t h THR 71 Cb 0.20 1.08 -0.00 0.00 -1.73 0.00 0.00 68.15 67.70 3f1t h THR 71 CO 0.00 0.02 -0.02 -0.37 -0.25 0.00 0.00 175.52 174.90 3f1t h VAL 72 N 0.00 0.20 0.00 6.82 -1.51 -1.47 -1.61 116.25 118.69 3f1t h VAL 72 Ca -0.00 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 3f1t h VAL 72 Cb 0.08 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.37 3f1t h VAL 72 CO 0.00 0.02 0.00 0.00 -1.23 0.00 0.00 177.57 176.36 3f1t n VAL 74 N -2.95 0.00 -3.38 0.00 0.24 -0.66 -4.73 118.33 106.85 3f1t n VAL 74 Ca 0.02 -0.26 -0.38 0.00 -2.04 0.00 0.00 64.34 61.68 3f1t n VAL 74 Cb 0.36 0.76 -0.06 0.00 -1.47 0.00 0.00 33.84 33.43 3f1t n VAL 74 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3f1t s LEU 75 N -2.50 4.39 0.23 1.34 1.43 -0.85 -4.98 118.68 117.73 3f1t s LEU 75 Ca 0.00 0.94 -0.03 0.00 -1.03 0.00 0.00 54.13 54.01 3f1t s LEU 75 Cb 0.00 -2.68 0.23 0.00 0.03 0.00 0.00 46.19 43.78 3f1t s LEU 75 CO 0.02 0.17 1.65 1.55 0.23 0.00 0.00 176.35 179.96 3f1t h PRO 76 N 5.62 0.71 -6.43 1.29 0.13 -1.92 -3.45 132.00 127.95 3f1t h PRO 76 Ca -0.46 -0.28 -0.65 0.00 -0.87 0.00 0.00 66.00 63.73 3f1t h PRO 76 Cb 1.20 -0.03 -0.13 0.00 0.13 0.00 0.00 31.00 32.16 3f1t h PRO 76 CO 0.68 0.87 -0.69 -0.51 -0.23 0.00 0.00 178.00 178.13 3f1t s ASP 77 N -6.76 4.77 0.10 1.44 1.01 -1.26 -5.07 116.67 110.90 3f1t s ASP 77 Ca -0.09 -0.27 -0.31 0.00 0.71 0.00 0.00 52.55 52.60 3f1t s ASP 77 Cb 0.13 -1.05 -0.10 0.00 1.01 0.00 0.00 42.92 42.92 3f1t s ASP 77 CO 0.83 0.17 1.82 0.12 0.21 0.00 0.00 175.17 178.32 3f1t s PHE 78 N -1.29 2.06 0.07 4.23 5.36 -1.26 -5.00 117.98 122.16 3f1t s PHE 78 Ca 0.24 -0.03 -0.20 0.00 -0.96 0.00 0.00 56.93 55.98 3f1t s PHE 78 Cb -0.11 -4.15 0.05 0.00 -0.34 0.00 0.00 43.02 38.46 3f1t s PHE 78 CO 0.17 -4.80 0.48 -1.83 -1.46 0.00 0.00 175.22 167.77 3f1t s GLU 79 N 2.98 1.04 -0.27 10.12 -1.05 -1.26 -5.14 118.70 125.12 3f1t s GLU 79 Ca 0.81 -0.39 -0.11 0.00 -0.15 0.00 0.00 54.97 55.13 3f1t s GLU 79 Cb -0.44 0.47 -0.05 0.00 -0.44 0.00 0.00 34.13 33.67 3f1t s GLU 79 CO 0.36 -0.39 0.17 0.42 0.95 0.00 0.00 175.26 176.78 3f1t s ILE 80 N -2.87 5.22 -0.33 1.83 1.01 -1.26 -4.93 121.20 119.87 3f1t s ILE 80 Ca -0.03 0.14 -0.08 0.00 0.00 0.00 0.00 60.65 60.68 3f1t s ILE 80 Cb -0.00 -3.47 0.02 0.00 0.01 0.00 0.00 42.46 39.01 3f1t s ILE 80 CO -0.05 0.28 0.13 0.00 0.00 0.00 0.00 174.94 175.30 3f1t n PRO 82 N 4.91 2.53 -1.94 0.00 -0.02 -1.26 -4.94 135.00 134.28 3f1t n PRO 82 Ca -0.13 0.89 -0.42 0.00 -2.02 0.00 0.00 63.50 61.82 3f1t n PRO 82 Cb 0.47 -2.61 -0.03 0.00 -0.02 0.00 0.00 33.50 31.31 3f1t n PRO 82 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3f1t s THR 83 N -0.55 2.58 -0.26 3.45 2.01 -1.26 -4.42 115.64 117.20 3f1t s THR 83 Ca 0.60 0.44 0.01 0.00 0.31 0.00 0.00 61.69 63.04 3f1t s THR 83 Cb -0.52 -3.28 -0.16 0.00 0.01 0.00 0.00 72.50 68.55 3f1t s THR 83 CO 0.56 0.05 -0.24 0.18 -0.69 0.00 0.00 174.62 174.48 3f1t n LEU 84 N 3.37 2.88 -3.69 4.42 4.77 0.11 -4.96 117.00 123.91 3f1t n LEU 84 Ca 0.11 -0.09 -0.12 0.00 -0.03 0.00 0.00 56.01 55.88 3f1t n LEU 84 Cb 0.39 -0.88 -0.09 0.00 -2.33 0.00 0.00 43.42 40.51 3f1t n LEU 84 CO 0.61 0.90 0.19 -1.81 -1.33 0.00 0.00 177.39 175.95 3f1t s ASP 85 N -6.55 -0.61 -0.04 -1.43 1.11 -1.13 -4.96 116.67 103.06 3f1t s ASP 85 Ca -0.35 1.09 0.01 0.00 0.18 0.00 0.00 52.55 53.48 3f1t s ASP 85 Cb 0.09 1.05 0.02 0.00 1.07 0.00 0.00 42.92 45.15 3f1t s ASP 85 CO 0.58 -0.20 -0.02 -0.22 1.18 0.00 0.00 175.17 176.49 3f1t s LEU 86 N 0.79 1.22 -0.06 1.23 2.96 -1.26 -1.18 118.68 122.38 3f1t s LEU 86 Ca -0.04 -0.07 0.04 0.00 -0.22 0.00 0.00 54.13 53.84 3f1t s LEU 86 Cb -0.05 -0.33 -0.00 0.00 0.50 0.00 0.00 46.19 46.31 3f1t s LEU 86 CO -0.06 -0.08 -0.20 0.00 -1.32 0.00 0.00 176.35 174.68 3f1t s ARG 87 N 1.00 2.27 -0.10 1.98 1.70 0.29 -5.00 118.95 121.09 3f1t s ARG 87 Ca -0.10 -0.72 0.03 0.00 -0.47 0.00 0.00 55.73 54.47 3f1t s ARG 87 Cb -0.14 -1.87 0.00 0.00 -0.57 0.00 0.00 34.95 32.38 3f1t s ARG 87 CO -0.01 0.23 -0.21 0.42 -1.08 0.00 0.00 175.30 174.65 3f1t s ILE 88 N 0.15 1.86 -0.20 4.99 1.01 -1.26 -1.17 121.20 126.58 3f1t s ILE 88 Ca -0.09 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 59.65 3f1t s ILE 88 Cb -0.14 -1.63 0.05 0.00 0.01 0.00 0.00 42.46 40.75 3f1t s ILE 88 CO 0.04 0.52 -0.02 -1.81 0.00 0.00 0.00 174.94 173.67 3f1t s ASP 89 N 0.46 3.14 0.99 3.58 1.01 0.18 -4.98 116.67 121.05 3f1t s ASP 89 Ca -0.17 -0.87 -0.16 0.00 0.71 0.00 0.00 52.55 52.07 3f1t s ASP 89 Cb -0.17 -0.85 0.20 0.00 1.01 0.00 0.00 42.92 43.11 3f1t s ASP 89 CO 0.07 -0.25 1.25 -0.31 0.21 0.00 0.00 175.17 176.14 3f1t s TYR 90 N 1.66 1.60 0.70 4.23 2.02 -1.26 -1.11 117.35 125.19 3f1t s TYR 90 Ca -0.02 0.44 -0.12 0.00 -0.37 0.00 0.00 57.07 57.01 3f1t s TYR 90 Cb -0.17 -3.86 0.02 0.00 -0.40 0.00 0.00 41.96 37.55 3f1t s TYR 90 CO -0.07 -2.78 1.08 -3.38 -1.57 0.00 0.00 175.55 168.82 3f1t s HIS 92 N -3.63 2.85 0.47 2.71 -3.43 -1.10 -4.94 115.29 108.21 3f1t s HIS 92 Ca 0.71 1.50 -0.23 0.00 -0.80 0.00 0.00 55.06 56.24 3f1t s HIS 92 Cb -0.07 -2.99 -0.07 0.00 -1.43 0.00 0.00 32.58 28.02 3f1t s HIS 92 CO 0.53 -1.47 1.23 -1.25 -2.00 0.00 0.00 174.74 171.79 3f1t s PRO 93 N -4.73 3.67 0.54 -0.38 0.04 -1.26 -4.74 135.00 128.14 3f1t s PRO 93 Ca 0.61 1.95 -0.22 0.00 0.04 0.00 0.00 61.00 63.39 3f1t s PRO 93 Cb -0.16 -2.45 -0.05 0.00 0.04 0.00 0.00 34.50 31.87 3f1t s PRO 93 CO 0.51 -0.67 1.33 0.00 0.04 0.00 0.00 177.00 178.21 3f1t s ALA 94 N -1.43 2.83 0.27 8.56 0.00 -1.26 -5.00 121.76 125.73 3f1t s ALA 94 Ca 0.64 1.28 -0.29 0.00 0.00 0.00 0.00 51.96 53.58 3f1t s ALA 94 Cb -0.33 -3.54 -0.09 0.00 0.00 0.00 0.00 23.12 19.15 3f1t s ALA 94 CO 0.40 -1.28 1.12 -1.21 0.00 0.00 0.00 175.76 174.80 3f1t s GLU 95 N -2.89 4.61 0.66 0.00 2.02 -1.26 -4.95 118.70 116.89 3f1t s GLU 95 Ca 0.71 1.84 -0.14 0.00 0.02 0.00 0.00 54.97 57.40 3f1t s GLU 95 Cb -0.39 -3.19 0.00 0.00 0.10 0.00 0.00 34.13 30.66 3f1t s GLU 95 CO 0.46 0.16 1.09 -1.25 0.02 0.00 0.00 175.26 175.73 3f1t s PRO 96 N -1.36 2.86 -1.66 0.39 0.04 -1.26 -3.85 135.00 130.16 3f1t s PRO 96 Ca 0.45 1.25 -0.02 0.00 0.04 0.00 0.00 61.00 62.73 3f1t s PRO 96 Cb -0.33 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.25 3f1t s PRO 96 CO 0.42 -1.18 0.26 0.72 0.04 0.00 0.00 177.00 177.25 3f1t n HIS 97 N -2.58 -1.43 -3.99 0.56 8.25 0.08 -4.98 115.22 111.13 3f1t n HIS 97 Ca 0.09 0.22 -0.16 0.00 -0.26 0.00 0.00 57.72 57.62 3f1t n HIS 97 Cb 0.53 -4.14 -0.15 0.00 1.12 0.00 0.00 29.99 27.34 3f1t n HIS 97 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3f1t s LYS 98 N -5.34 0.31 0.57 -0.41 1.02 -1.25 -5.06 119.74 109.59 3f1t s LYS 98 Ca 0.13 -0.01 -0.20 0.00 0.02 0.00 0.00 55.97 55.91 3f1t s LYS 98 Cb -0.06 -0.41 -0.04 0.00 -0.52 0.00 0.00 37.83 36.80 3f1t s LYS 98 CO 0.16 -0.05 1.26 -0.25 -0.92 0.00 0.00 175.35 175.56 3f1t n ASP 99 N 3.67 2.16 -4.55 2.83 8.00 -1.26 -4.53 116.55 122.87 3f1t n ASP 99 Ca -0.21 0.92 -0.34 0.00 0.71 0.00 0.00 54.79 55.86 3f1t n ASP 99 Cb 0.54 -1.53 -0.11 0.00 -0.02 0.00 0.00 41.12 40.00 3f1t n ASP 99 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3f1t s VAL 100 N -1.35 4.34 -0.07 2.53 1.01 -0.68 -4.58 120.40 121.61 3f1t s VAL 100 Ca 0.75 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.49 3f1t s VAL 100 Cb -0.41 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 3f1t s VAL 100 CO 0.47 0.46 0.13 -0.31 0.00 0.00 0.00 175.10 175.85 3f1t s TYR 101 N 0.50 3.49 -0.06 5.22 2.02 0.57 -0.19 117.35 128.90 3f1t s TYR 101 Ca 0.00 0.40 0.05 0.00 -0.37 0.00 0.00 57.07 57.14 3f1t s TYR 101 Cb -0.13 -1.86 -0.02 0.00 -0.40 0.00 0.00 41.96 39.55 3f1t s TYR 101 CO 0.02 0.66 -0.21 0.20 -1.57 0.00 0.00 175.55 174.65 3f1t s GLY 102 N -1.39 1.39 -0.00 0.71 0.00 0.39 -1.17 107.32 107.24 3f1t s GLY 102 Ca 0.20 -1.01 0.07 0.00 0.00 0.00 0.00 44.72 43.97 3f1t s GLY 102 CO 0.10 -0.64 -0.21 -0.12 0.00 0.00 0.00 173.10 172.23 3f1t s PHE 103 N -0.27 1.86 0.05 1.90 2.19 -0.30 -0.93 117.98 122.49 3f1t s PHE 103 Ca 0.00 -0.36 -0.04 0.00 0.33 0.00 0.00 56.93 56.86 3f1t s PHE 103 Cb -0.13 -1.18 -0.02 0.00 -1.31 0.00 0.00 43.02 40.38 3f1t s PHE 103 CO 0.03 -0.01 0.07 0.00 1.83 0.00 0.00 175.22 177.14 3f1t s ALA 104 N -0.55 0.10 -0.10 11.12 0.00 -0.58 -0.63 121.76 131.12 3f1t s ALA 104 Ca 0.08 -0.78 -0.05 0.00 0.00 0.00 0.00 51.96 51.21 3f1t s ALA 104 Cb -0.08 0.30 0.05 0.00 0.00 0.00 0.00 23.12 23.38 3f1t s ALA 104 CO -0.00 -0.36 0.23 -2.00 0.00 0.00 0.00 175.76 173.62 3f1t s GLU 105 N -3.22 0.17 0.14 0.00 2.12 -0.06 -1.58 118.70 116.28 3f1t s GLU 105 Ca 0.00 0.53 -0.31 0.00 0.36 0.00 0.00 54.97 55.55 3f1t s GLU 105 Cb 0.03 -0.13 -0.09 0.00 0.26 0.00 0.00 34.13 34.20 3f1t s GLU 105 CO -0.07 -0.18 1.53 0.00 -0.54 0.00 0.00 175.26 175.99 3f1t n TYR 107 N 4.17 0.00 -3.73 0.00 0.18 -0.05 -4.95 117.16 112.78 3f1t n TYR 107 Ca 0.13 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.79 3f1t n TYR 107 Cb 0.40 -0.02 -0.10 0.00 -0.38 0.00 0.00 39.34 39.23 3f1t n TYR 107 CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 3f1t s ARG 108 N -1.59 0.44 -0.15 -3.48 3.52 -1.09 -5.02 118.95 111.58 3f1t s ARG 108 Ca 0.00 0.61 -0.00 0.00 -0.13 0.00 0.00 55.73 56.21 3f1t s ARG 108 Cb 0.02 0.16 0.03 0.00 -1.56 0.00 0.00 34.95 33.60 3f1t s ARG 108 CO 0.13 -0.08 -0.09 0.08 -0.81 0.00 0.00 175.30 174.53 3f1t s VAL 109 N 0.53 1.27 0.50 7.11 1.01 -1.26 -0.15 120.40 129.40 3f1t s VAL 109 Ca -0.03 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.45 3f1t s VAL 109 Cb -0.04 -1.32 0.03 0.00 0.00 0.00 0.00 36.38 35.04 3f1t s VAL 109 CO -0.03 0.28 0.53 0.42 0.00 0.00 0.00 175.10 176.31 3f1t s THR 110 N 1.59 2.29 0.46 3.92 -4.23 0.49 -5.01 115.64 115.14 3f1t s THR 110 Ca 0.03 -1.23 0.20 0.00 -1.18 0.00 0.00 61.69 59.51 3f1t s THR 110 Cb -0.14 -2.53 0.39 0.00 1.34 0.00 0.00 72.50 71.57 3f1t s THR 110 CO -0.09 0.00 1.90 -0.65 -0.54 0.00 0.00 174.62 175.24 3f1t h PRO 111 N 0.65 0.28 0.00 3.99 0.11 -2.01 -3.24 132.00 131.79 3f1t h PRO 111 Ca -0.37 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3f1t h PRO 111 Cb 1.28 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3f1t h PRO 111 CO 0.51 0.18 0.00 0.09 -0.21 0.00 0.00 178.00 178.57 3f1t n ASN 112 N -4.44 0.77 -3.92 -2.05 3.02 -1.26 -4.87 115.26 102.51 3f1t n ASN 112 Ca 0.16 -1.06 -0.16 0.00 -0.03 0.00 0.00 54.58 53.49 3f1t n ASN 112 Cb 0.68 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.70 3f1t n ASN 112 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3f1t s VAL 113 N -0.06 0.36 -0.10 2.41 1.01 -1.22 -0.44 120.40 122.35 3f1t s VAL 113 Ca 0.00 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.87 3f1t s VAL 113 Cb 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 36.38 36.04 3f1t s VAL 113 CO 0.00 0.12 -0.21 -0.63 0.00 0.00 0.00 175.10 174.38 3f1t s ILE 114 N 0.17 2.32 -0.10 2.22 1.01 0.33 -0.38 121.20 126.77 3f1t s ILE 114 Ca -0.02 -0.94 -0.01 0.00 0.00 0.00 0.00 60.65 59.69 3f1t s ILE 114 Cb -0.05 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 3f1t s ILE 114 CO -0.00 0.55 -0.05 -0.36 0.00 0.00 0.00 174.94 175.08 3f1t s PHE 115 N 0.22 3.00 -0.04 3.97 0.40 0.79 0.17 117.98 126.49 3f1t s PHE 115 Ca -0.14 -0.07 -0.06 0.00 -0.60 0.00 0.00 56.93 56.06 3f1t s PHE 115 Cb -0.17 -1.81 0.01 0.00 0.51 0.00 0.00 43.02 41.57 3f1t s PHE 115 CO 0.07 0.22 0.16 -0.08 0.70 0.00 0.00 175.22 176.29 3f1t s THR 116 N -0.40 0.03 0.06 0.64 -1.32 -0.15 -0.88 115.64 113.62 3f1t s THR 116 Ca 0.06 -0.27 0.06 0.00 -1.21 0.00 0.00 61.69 60.34 3f1t s THR 116 Cb -0.12 -0.32 -0.03 0.00 -1.51 0.00 0.00 72.50 70.52 3f1t s THR 116 CO 0.02 -0.15 -0.17 -0.60 -2.21 0.00 0.00 174.62 171.52 3f1t s ARG 117 N -0.48 1.07 0.00 7.08 3.52 -0.59 -1.29 118.95 128.26 3f1t s ARG 117 Ca -0.06 -0.90 0.00 0.00 -0.13 0.00 0.00 55.73 54.64 3f1t s ARG 117 Cb -0.04 -1.15 0.00 0.00 -1.56 0.00 0.00 34.95 32.21 3f1t s ARG 117 CO 0.01 0.28 0.00 0.41 -0.81 0.00 0.00 175.30 175.19 3f1t n GLY 118 N 1.66 1.83 3.51 8.12 0.00 -0.48 -0.88 105.19 118.96 3f1t n GLY 118 Ca -0.18 -0.88 -0.16 0.00 0.00 0.00 0.00 46.02 44.80 3f1t n GLY 118 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3f1t s PHE 119 N -5.75 -0.59 0.18 1.61 -0.12 0.20 -1.75 117.98 111.75 3f1t s PHE 119 Ca 0.00 0.90 -0.08 0.00 -0.05 0.00 0.00 56.93 57.70 3f1t s PHE 119 Cb 0.00 0.44 -0.06 0.00 -0.63 0.00 0.00 43.02 42.77 3f1t s PHE 119 CO 0.00 -0.60 0.46 0.00 -0.05 0.00 0.00 175.22 175.03 3f1t s ALA 120 N -1.65 3.68 0.26 1.99 0.00 -0.52 -1.15 121.76 124.38 3f1t s ALA 120 Ca -0.07 -0.40 -0.22 0.00 0.00 0.00 0.00 51.96 51.27 3f1t s ALA 120 Cb -0.00 -2.29 0.03 0.00 0.00 0.00 0.00 23.12 20.85 3f1t s ALA 120 CO 0.05 0.58 0.76 1.52 0.00 0.00 0.00 175.76 178.67 3f1t s TYR 121 N -1.70 -0.17 0.01 0.00 -0.85 -0.32 0.68 117.35 115.01 3f1t s TYR 121 Ca 0.43 -0.27 0.00 0.00 -0.52 0.00 0.00 57.07 56.71 3f1t s TYR 121 Cb -0.12 0.70 0.00 0.00 0.38 0.00 0.00 41.96 42.92 3f1t s TYR 121 CO 0.22 -1.18 0.00 1.04 -1.52 0.00 0.00 175.55 174.11 3f1t n GLN 122 N -0.46 0.00 -0.01 -3.49 6.02 -1.26 -0.31 117.38 117.86 3f1t n GLN 122 Ca -0.04 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.94 3f1t n GLN 122 Cb 0.59 -0.06 -0.00 0.00 1.02 0.00 0.00 30.24 31.79 3f1t n GLN 122 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 3f1t h ASP 123 N 0.00 0.00 -4.24 1.08 3.45 -1.95 -3.44 116.42 111.33 3f1t h ASP 123 Ca 0.00 0.00 -0.56 0.00 0.43 0.00 0.00 57.03 56.90 3f1t h ASP 123 Cb 0.00 0.00 -0.23 0.00 -0.56 0.00 0.00 39.33 38.54 3f1t h ASP 123 CO 0.00 0.11 -0.83 -1.81 -1.57 0.00 0.00 179.24 175.15 3f1t s ASP 124 N -3.64 2.44 0.00 6.45 1.11 -1.26 -5.00 116.67 116.76 3f1t s ASP 124 Ca -0.01 -0.61 0.00 0.00 0.18 0.00 0.00 52.55 52.11 3f1t s ASP 124 Cb 0.00 -0.16 0.00 0.00 1.07 0.00 0.00 42.92 43.83 3f1t s ASP 124 CO 0.01 0.09 0.59 -2.65 1.18 0.00 0.00 175.17 174.40 3f1t n PRO 125 N 1.42 0.00 -0.07 8.23 -0.02 -1.26 -3.29 135.00 140.02 3f1t n PRO 125 Ca -0.19 0.16 -0.13 0.00 -2.02 0.00 0.00 63.50 61.33 3f1t n PRO 125 Cb 0.54 -1.56 -0.06 0.00 -0.02 0.00 0.00 33.50 32.39 3f1t n PRO 125 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3f1t h GLY 126 N 0.00 0.54 -6.65 -1.23 0.00 -1.99 -3.33 103.07 90.41 3f1t h GLY 126 Ca 0.00 -0.58 -0.62 0.00 0.00 0.00 0.00 47.33 46.13 3f1t h GLY 126 CO 0.00 0.52 -0.48 -1.06 0.00 0.00 0.00 176.54 175.52 3f1t n GLN 127 N -4.42 2.37 -1.68 4.80 3.00 -1.21 -5.09 117.38 115.15 3f1t n GLN 127 Ca -0.05 -4.59 -0.35 0.00 -0.01 0.00 0.00 57.00 52.00 3f1t n GLN 127 Cb 0.42 -2.29 0.07 0.00 0.00 0.00 0.00 30.24 28.44 3f1t n GLN 127 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 3f1t s PRO 128 N -2.04 2.52 0.17 -1.09 0.04 -1.25 -4.84 135.00 128.51 3f1t s PRO 128 Ca 0.33 1.75 -0.05 0.00 0.04 0.00 0.00 61.00 63.07 3f1t s PRO 128 Cb 0.06 -1.88 0.05 0.00 0.04 0.00 0.00 34.50 32.76 3f1t s PRO 128 CO -0.08 -1.54 1.46 0.82 0.04 0.00 0.00 177.00 177.70 3f1t h ILE 129 N 0.18 1.32 -2.34 0.56 2.04 -0.04 -3.41 117.51 115.81 3f1t h ILE 129 Ca -0.49 -1.87 -0.08 0.00 1.00 0.00 0.00 64.86 63.43 3f1t h ILE 129 Cb 1.29 1.83 -0.21 0.00 -0.74 0.00 0.00 36.82 38.99 3f1t h ILE 129 CO 0.52 0.58 -0.01 0.00 0.00 0.00 0.00 178.15 179.24 3f1t s ALA 130 N -3.92 -1.43 0.04 1.87 0.00 -1.19 -2.71 121.76 114.41 3f1t s ALA 130 Ca -0.08 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.30 3f1t s ALA 130 Cb 0.11 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 3f1t s ALA 130 CO 0.85 -0.29 0.13 -1.01 0.00 0.00 0.00 175.76 175.44 3f1t s HIS 131 N -0.21 3.36 -0.04 0.00 3.76 -0.26 -1.43 115.29 120.46 3f1t s HIS 131 Ca -0.04 0.20 -0.04 0.00 -0.15 0.00 0.00 55.06 55.04 3f1t s HIS 131 Cb -0.03 -1.72 0.01 0.00 1.11 0.00 0.00 32.58 31.95 3f1t s HIS 131 CO 0.03 0.57 0.11 0.08 -0.85 0.00 0.00 174.74 174.68 3f1t s VAL 132 N -1.35 -0.00 -0.02 -0.90 1.01 -0.72 -0.65 120.40 117.77 3f1t s VAL 132 Ca 0.29 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.29 3f1t s VAL 132 Cb -0.12 -0.16 0.01 0.00 0.00 0.00 0.00 36.38 36.11 3f1t s VAL 132 CO 0.21 0.01 -0.02 -0.69 0.00 0.00 0.00 175.10 174.61 3f1t s VAL 133 N 0.14 0.23 0.12 2.92 1.01 -0.32 -1.38 120.40 123.13 3f1t s VAL 133 Ca -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 3f1t s VAL 133 Cb -0.02 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 3f1t s VAL 133 CO -0.00 0.12 0.07 -0.83 0.00 0.00 0.00 175.10 174.45 3f1t s GLY 134 N 0.57 0.85 0.02 4.51 0.00 -0.41 -0.55 107.32 112.32 3f1t s GLY 134 Ca -0.06 -1.37 0.04 0.00 0.00 0.00 0.00 44.72 43.34 3f1t s GLY 134 CO -0.01 -1.30 -0.13 0.00 0.00 0.00 0.00 173.10 171.66 3f1t s ALA 135 N -4.02 1.11 0.00 3.20 0.00 -0.32 -0.98 121.76 120.76 3f1t s ALA 135 Ca 0.21 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.43 3f1t s ALA 135 Cb 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.99 3f1t s ALA 135 CO -0.00 0.22 0.00 1.19 0.00 0.00 0.00 175.76 177.17 3f1t n PHE 136 N 2.15 0.00 -0.97 0.00 3.72 0.13 0.04 117.46 122.53 3f1t n PHE 136 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 3f1t n PHE 136 Cb 0.55 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.09 3f1t n PHE 136 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25