#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1t h LEU 6 N 0.00 0.52 -0.92 2.45 5.85 -1.96 -2.90 115.31 118.35 3f1t h LEU 6 Ca 0.00 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.87 3f1t h LEU 6 Cb 0.00 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 40.90 3f1t h LEU 6 CO 0.00 0.32 0.56 0.25 -0.34 0.00 0.00 178.44 179.22 3f1t h LEU 7 N 0.66 0.82 -0.81 2.25 5.85 -1.98 -1.43 115.31 120.67 3f1t h LEU 7 Ca 0.33 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.99 3f1t h LEU 7 Cb 0.28 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3f1t h LEU 7 CO -0.22 0.46 -0.21 -0.33 -0.34 0.00 0.00 178.44 177.79 3f1t h GLU 8 N 0.92 0.66 -0.05 1.25 5.08 -1.94 -2.29 114.58 118.21 3f1t h GLU 8 Ca 0.44 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3f1t h GLU 8 Cb 0.39 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 3f1t h GLU 8 CO -0.25 0.82 0.02 0.00 -1.00 0.00 0.00 179.01 178.60 3f1t h ARG 9 N 0.58 0.07 -0.84 2.33 3.08 -1.21 -1.42 114.38 116.98 3f1t h ARG 9 Ca 0.09 -0.01 0.19 0.00 0.07 0.00 0.00 59.98 60.31 3f1t h ARG 9 Cb 0.68 -0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.60 3f1t h ARG 9 CO 0.05 0.21 0.36 0.00 -1.07 0.00 0.00 179.97 179.52 3f1t h ALA 10 N 0.86 1.28 -0.21 0.04 0.00 -1.09 -1.27 119.26 118.88 3f1t h ALA 10 Ca 0.02 0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 3f1t h ALA 10 Cb 0.16 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3f1t h ALA 10 CO -0.00 -0.27 -0.48 0.00 0.00 0.00 0.00 179.25 178.50 3f1t h ARG 11 N 0.43 0.69 -0.43 0.00 3.08 -1.11 -1.19 114.38 115.85 3f1t h ARG 11 Ca 0.50 -0.46 0.07 0.00 0.07 0.00 0.00 59.98 60.16 3f1t h ARG 11 Cb 0.87 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.92 3f1t h ARG 11 CO -0.48 1.08 0.06 -0.09 -1.07 0.00 0.00 179.97 179.48 3f1t h ARG 12 N 0.39 0.18 -0.33 0.04 2.43 -0.87 -0.76 114.38 115.46 3f1t h ARG 12 Ca -0.00 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3f1t h ARG 12 Cb 1.09 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 3f1t h ARG 12 CO 0.10 0.12 0.20 0.35 -1.51 0.00 0.00 179.97 179.23 3f1t h PHE 13 N 0.18 0.43 -0.17 2.20 3.04 -1.10 -2.40 116.94 119.14 3f1t h PHE 13 Ca 0.21 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.12 3f1t h PHE 13 Cb 0.28 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.63 3f1t h PHE 13 CO -0.23 0.31 -0.06 1.25 -2.02 0.00 0.00 178.31 177.56 3f1t h LEU 14 N 0.43 0.23 -0.23 0.59 5.85 -0.97 -2.66 115.31 118.55 3f1t h LEU 14 Ca 0.12 -0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 3f1t h LEU 14 Cb 0.01 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3f1t h LEU 14 CO -0.02 0.33 -0.54 0.28 -0.34 0.00 0.00 178.44 178.15 3f1t h SER 15 N 0.24 0.00 0.13 1.25 0.02 -0.75 -2.86 113.55 111.58 3f1t h SER 15 Ca 0.05 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 3f1t h SER 15 Cb 0.27 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 3f1t h SER 15 CO 0.01 0.54 -0.16 0.00 -1.14 0.00 0.00 176.83 176.08 3f1t h ALA 16 N 1.46 1.64 -0.65 3.77 0.00 -1.07 -3.39 119.26 121.01 3f1t h ALA 16 Ca -0.01 -0.18 -0.51 0.00 0.00 0.00 0.00 54.91 54.22 3f1t h ALA 16 Cb 1.32 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 3f1t h ALA 16 CO 0.07 0.27 1.67 1.28 0.00 0.00 0.00 179.25 182.54 3f1t n LEU 17 N -4.31 4.05 0.19 0.00 4.32 -1.08 -4.76 117.00 115.41 3f1t n LEU 17 Ca -0.02 -3.56 0.14 0.00 -0.02 0.00 0.00 56.01 52.55 3f1t n LEU 17 Cb 0.25 -1.74 0.68 0.00 -1.62 0.00 0.00 43.42 40.99 3f1t n LEU 17 CO 0.37 -0.80 0.91 0.03 -1.22 0.00 0.00 177.39 176.68 3f1t h ARG 18 N 8.58 0.00 0.00 3.23 2.47 -1.85 -2.70 114.38 124.11 3f1t h ARG 18 Ca 0.34 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.92 3f1t h ARG 18 Cb 0.90 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.19 3f1t h ARG 18 CO 1.35 0.00 -2.13 -2.39 0.56 0.00 0.00 179.97 177.36 3f1t n HIS 19 N -2.47 0.03 0.41 3.04 1.44 -1.26 -3.62 115.22 112.77 3f1t n HIS 19 Ca -0.01 0.01 0.12 0.00 -2.01 0.00 0.00 57.72 55.84 3f1t n HIS 19 Cb 0.12 -0.70 0.50 0.00 0.12 0.00 0.00 29.99 30.03 3f1t n HIS 19 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3f1t h GLN 21 N 0.00 0.48 -0.16 0.00 4.15 -1.61 0.74 115.11 118.71 3f1t h GLN 21 Ca 0.00 -0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.44 3f1t h GLN 21 Cb 0.41 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 3f1t h GLN 21 CO 0.00 0.32 0.12 0.28 -1.93 0.00 0.00 178.83 177.62 3f1t h VAL 22 N 0.50 0.86 0.00 2.39 2.07 -1.83 -2.08 116.25 118.15 3f1t h VAL 22 Ca 0.53 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.05 3f1t h VAL 22 Cb 1.18 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 3f1t h VAL 22 CO -0.25 0.00 -0.18 0.18 0.02 0.00 0.00 177.57 177.34 3f1t n LEU 23 N -4.40 0.37 -1.86 2.57 4.77 0.25 -4.92 117.00 113.78 3f1t n LEU 23 Ca 0.01 0.38 -0.16 0.00 -0.03 0.00 0.00 56.01 56.21 3f1t n LEU 23 Cb 0.25 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 40.97 3f1t n LEU 23 CO 0.34 -0.02 -0.21 0.61 -1.33 0.00 0.00 177.39 176.78 3f1t n GLY 24 N 1.44 -0.30 3.78 -0.72 0.00 -0.78 -4.29 105.19 104.30 3f1t n GLY 24 Ca 0.06 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 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 -4.69 4.28 0.07 0.99 1.02 -1.26 -4.41 118.68 114.67 3f1t s LEU 25 Ca 0.00 3.05 0.03 0.00 0.02 0.00 0.00 54.13 57.23 3f1t s LEU 25 Cb -0.00 -3.71 -0.03 0.00 0.02 0.00 0.00 46.19 42.46 3f1t s LEU 25 CO 0.00 -0.94 -0.09 0.42 0.02 0.00 0.00 176.35 175.76 3f1t s THR 26 N -1.13 0.76 -0.23 5.49 -4.23 -0.92 -4.98 115.64 110.41 3f1t s THR 26 Ca 0.54 -1.40 -0.23 0.00 -1.18 0.00 0.00 61.69 59.42 3f1t s THR 26 Cb -0.46 -1.05 -0.01 0.00 1.34 0.00 0.00 72.50 72.31 3f1t s THR 26 CO 0.63 -0.49 0.74 -0.69 -0.54 0.00 0.00 174.62 174.27 3f1t s VAL 27 N -2.01 4.91 -0.11 2.29 1.01 -1.26 -0.55 120.40 124.68 3f1t s VAL 27 Ca -0.01 1.40 -0.00 0.00 0.00 0.00 0.00 61.98 63.37 3f1t s VAL 27 Cb -0.06 -4.04 -0.25 0.00 0.00 0.00 0.00 36.38 32.03 3f1t s VAL 27 CO -0.00 0.00 0.39 1.21 0.00 0.00 0.00 175.10 176.70 3f1t n GLU 28 N 5.64 0.72 -3.49 2.72 4.07 0.77 -4.96 120.64 126.10 3f1t n GLU 28 Ca 0.03 0.25 -0.11 0.00 -0.06 0.00 0.00 57.16 57.27 3f1t n GLU 28 Cb 0.48 -1.71 -0.02 0.00 -0.06 0.00 0.00 31.44 30.13 3f1t n GLU 28 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3f1t s ALA 29 N -2.56 -1.60 -0.30 4.31 0.00 -1.02 -4.99 121.76 115.60 3f1t s ALA 29 Ca -0.18 0.48 -0.06 0.00 0.00 0.00 0.00 51.96 52.20 3f1t s ALA 29 Cb 0.07 0.80 0.18 0.00 0.00 0.00 0.00 23.12 24.17 3f1t s ALA 29 CO 0.77 -0.79 0.74 0.00 0.00 0.00 0.00 175.76 176.48 3f1t s ALA 30 N -3.65 -2.58 0.00 0.00 0.00 -1.26 -1.55 121.76 112.71 3f1t s ALA 30 Ca 0.03 1.78 0.00 0.00 0.00 0.00 0.00 51.96 53.78 3f1t s ALA 30 Cb -0.02 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 20.88 3f1t s ALA 30 CO -0.10 -1.32 0.00 -0.40 0.00 0.00 0.00 175.76 173.95 3f1t n ASP 31 N 5.42 0.93 0.01 0.00 5.68 -0.41 -4.27 116.55 123.92 3f1t n ASP 31 Ca -0.04 -0.16 -0.05 0.00 -0.50 0.00 0.00 54.79 54.05 3f1t n ASP 31 Cb 0.52 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.66 3f1t n ASP 31 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3f1t h GLU 32 N 0.00 0.50 0.00 0.11 -0.00 -1.99 -3.21 114.58 109.99 3f1t h GLU 32 Ca 0.00 -0.21 -0.03 0.00 -0.00 0.00 0.00 59.36 59.11 3f1t h GLU 32 Cb 0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 28.75 28.73 3f1t h GLU 32 CO 0.00 0.75 -0.16 1.57 -0.00 0.00 0.00 179.01 181.17 3f1t h LYS 33 N 0.43 0.00 0.00 1.06 5.09 -1.96 -3.47 116.57 117.72 3f1t h LYS 33 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.79 3f1t h LYS 33 Cb 0.76 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.09 3f1t h LYS 33 CO 0.06 0.16 0.00 0.41 -2.09 0.00 0.00 179.45 177.99 3f1t n GLY 34 N 0.60 -0.51 2.97 0.07 0.00 -1.21 -4.69 105.19 102.41 3f1t n GLY 34 Ca 0.02 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 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 0.90 -0.19 0.99 2.96 -0.17 -1.29 118.68 121.88 3f1t s LEU 35 Ca 0.00 0.33 0.01 0.00 -0.22 0.00 0.00 54.13 54.25 3f1t s LEU 35 Cb 0.00 0.45 0.02 0.00 0.50 0.00 0.00 46.19 47.16 3f1t s LEU 35 CO 0.00 -0.12 -0.19 -0.89 -1.32 0.00 0.00 176.35 173.83 3f1t s THR 36 N 0.85 2.10 0.42 3.68 2.01 -0.60 -0.94 115.64 123.16 3f1t s THR 36 Ca -0.06 -1.00 0.06 0.00 0.31 0.00 0.00 61.69 61.00 3f1t s THR 36 Cb -0.08 -1.92 0.01 0.00 0.01 0.00 0.00 72.50 70.52 3f1t s THR 36 CO -0.04 0.48 0.58 -0.76 -0.69 0.00 0.00 174.62 174.18 3f1t s LEU 37 N 1.27 3.69 -0.04 4.42 1.02 0.79 -0.16 118.68 129.67 3f1t s LEU 37 Ca 0.04 -0.26 0.02 0.00 0.02 0.00 0.00 54.13 53.95 3f1t s LEU 37 Cb -0.14 -2.74 0.01 0.00 0.02 0.00 0.00 46.19 43.34 3f1t s LEU 37 CO -0.12 -0.72 -0.10 -0.60 0.02 0.00 0.00 176.35 174.83 3f1t s ARG 38 N -4.37 1.15 -0.33 1.70 3.52 0.29 -0.55 118.95 120.36 3f1t s ARG 38 Ca 0.52 -0.32 -0.10 0.00 -0.13 0.00 0.00 55.73 55.70 3f1t s ARG 38 Cb -0.10 -1.04 0.00 0.00 -1.56 0.00 0.00 34.95 32.26 3f1t s ARG 38 CO 0.33 0.08 0.17 -1.17 -0.81 0.00 0.00 175.30 173.90 3f1t s LEU 39 N 0.38 4.30 0.24 -0.88 2.96 0.19 -2.15 118.68 123.72 3f1t s LEU 39 Ca -0.07 -0.68 -0.30 0.00 -0.22 0.00 0.00 54.13 52.86 3f1t s LEU 39 Cb -0.11 -2.01 -0.09 0.00 0.50 0.00 0.00 46.19 44.48 3f1t s LEU 39 CO 0.01 -0.26 1.00 -2.16 -1.32 0.00 0.00 176.35 173.63 3f1t s PRO 40 N 1.59 4.76 0.41 0.98 0.04 -1.26 -1.36 135.00 140.17 3f1t s PRO 40 Ca 0.04 1.60 0.21 0.00 0.04 0.00 0.00 61.00 62.88 3f1t s PRO 40 Cb -0.18 -3.26 0.86 0.00 0.04 0.00 0.00 34.50 31.96 3f1t s PRO 40 CO 0.06 0.37 1.82 0.10 0.04 0.00 0.00 177.00 179.39 3f1t h TYR 41 N 4.24 0.00 0.00 0.56 -0.00 -1.93 -2.00 116.97 117.84 3f1t h TYR 41 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.28 3f1t h TYR 41 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.94 3f1t h TYR 41 CO 0.61 0.30 0.00 -1.13 -0.00 0.00 0.00 178.16 177.93 3f1t n SER 42 N -3.56 0.65 -0.67 0.10 3.41 -1.26 -2.23 113.62 110.05 3f1t n SER 42 Ca -0.01 0.72 0.11 0.00 -0.26 0.00 0.00 58.87 59.44 3f1t n SER 42 Cb 0.44 -0.84 0.04 0.00 -0.26 0.00 0.00 64.21 63.59 3f1t n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3f1t n GLN 43 N -2.28 1.66 -1.41 4.33 1.13 -0.75 -4.45 117.38 115.61 3f1t n GLN 43 Ca 0.00 -1.36 0.01 0.00 -1.94 0.00 0.00 57.00 53.71 3f1t n GLN 43 Cb 0.14 -1.46 0.09 0.00 0.11 0.00 0.00 30.24 29.12 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 0.53 3.10 -2.26 -1.58 0.00 -0.95 -4.67 120.51 114.69 3f1t n ALA 44 Ca 0.11 -2.87 -0.41 0.00 0.00 0.00 0.00 53.44 50.27 3f1t n ALA 44 Cb 0.51 -0.58 -0.04 0.00 0.00 0.00 0.00 19.45 19.34 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 -2.04 4.40 -0.21 0.00 -1.09 -1.25 0.47 121.20 121.49 3f1t s ILE 45 Ca 0.36 1.98 -0.05 0.00 -2.23 0.00 0.00 60.65 60.71 3f1t s ILE 45 Cb 0.38 -4.27 -0.02 0.00 -1.58 0.00 0.00 42.46 36.96 3f1t s ILE 45 CO -0.10 0.30 0.01 -0.63 -1.23 0.00 0.00 174.94 173.29 3f1t s ILE 46 N 0.03 4.01 0.00 2.92 -1.09 -0.70 -4.81 121.20 121.57 3f1t s ILE 46 Ca 0.48 -0.29 0.00 0.00 -2.23 0.00 0.00 60.65 58.61 3f1t s ILE 46 Cb -0.24 -2.83 0.00 0.00 -1.58 0.00 0.00 42.46 37.81 3f1t s ILE 46 CO 0.31 0.42 0.00 0.61 -1.23 0.00 0.00 174.94 175.04 3f1t n GLY 47 N 4.35 0.08 3.70 6.18 0.00 -1.26 -4.56 105.19 113.68 3f1t n GLY 47 Ca -0.17 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 3f1t n GLY 47 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3f1t s ASN 48 N -4.00 6.73 0.55 1.61 0.01 -1.26 -4.90 114.94 113.68 3f1t s ASN 48 Ca 0.00 2.37 0.26 0.00 -0.71 0.00 0.00 52.86 54.77 3f1t s ASN 48 Cb 0.00 -2.57 1.60 0.00 0.41 0.00 0.00 41.25 40.68 3f1t s ASN 48 CO 0.00 -0.76 2.19 1.55 -1.51 0.00 0.00 177.10 178.56 3f1t h PRO 49 N 7.49 0.00 0.00 -0.60 0.13 -1.96 -0.34 132.00 136.72 3f1t h PRO 49 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3f1t h PRO 49 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3f1t h PRO 49 CO 0.90 0.04 0.00 -0.85 -0.23 0.00 0.00 178.00 177.86 3f1t n GLU 50 N -3.97 0.05 0.04 0.86 0.00 -1.26 -2.64 120.64 113.72 3f1t n GLU 50 Ca -0.03 0.15 0.11 0.00 0.00 0.00 0.00 57.16 57.40 3f1t n GLU 50 Cb 0.12 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.04 3f1t n GLU 50 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 3f1t n SER 51 N -1.46 0.57 -1.48 -1.84 7.64 -0.14 -4.97 113.62 111.94 3f1t n SER 51 Ca 0.06 -0.01 -0.17 0.00 1.01 0.00 0.00 58.87 59.75 3f1t n SER 51 Cb 0.21 0.91 -0.05 0.00 -1.01 0.00 0.00 64.21 64.27 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 1.29 1.10 3.67 0.23 0.00 -1.08 -4.65 105.19 105.75 3f1t n GLY 52 Ca 0.00 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.69 4.73 0.12 1.61 1.01 -1.26 -1.25 120.40 122.66 3f1t s VAL 53 Ca 0.00 2.04 -0.28 0.00 0.00 0.00 0.00 61.98 63.74 3f1t s VAL 53 Cb 0.00 -4.31 -0.06 0.00 0.00 0.00 0.00 36.38 32.00 3f1t s VAL 53 CO 0.00 -0.09 0.87 -0.69 0.00 0.00 0.00 175.10 175.19 3f1t s VAL 54 N 2.63 4.49 0.08 2.92 1.01 -1.26 -1.71 120.40 128.56 3f1t s VAL 54 Ca 0.46 1.88 -0.30 0.00 0.00 0.00 0.00 61.98 64.02 3f1t s VAL 54 Cb -0.17 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 3f1t s VAL 54 CO 0.12 0.39 1.08 -2.28 0.00 0.00 0.00 175.10 174.40 3f1t s HIS 55 N -0.36 3.60 0.36 5.22 2.46 0.18 -4.76 115.29 121.98 3f1t s HIS 55 Ca 0.42 1.57 0.07 0.00 0.47 0.00 0.00 55.06 57.58 3f1t s HIS 55 Cb -0.23 -3.24 0.77 0.00 -0.13 0.00 0.00 32.58 29.75 3f1t s HIS 55 CO 0.27 -0.52 1.94 0.78 -2.47 0.00 0.00 174.74 174.74 3f1t h GLY 56 N 6.19 1.00 1.67 1.59 0.00 -1.95 -1.95 103.07 109.61 3f1t h GLY 56 Ca -0.42 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 46.56 3f1t h GLY 56 CO 0.76 0.19 -0.03 -1.33 0.00 0.00 0.00 176.54 176.13 3f1t h GLY 57 N 0.73 0.44 1.05 4.60 0.00 -1.96 -1.33 103.07 106.60 3f1t h GLY 57 Ca 0.35 -0.25 -0.07 0.00 0.00 0.00 0.00 47.33 47.35 3f1t h GLY 57 CO -0.13 0.24 0.12 0.00 0.00 0.00 0.00 176.54 176.77 3f1t h ALA 58 N 1.58 0.86 -0.37 3.60 0.00 -1.71 -1.67 119.26 121.56 3f1t h ALA 58 Ca 0.09 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 3f1t h ALA 58 Cb 0.31 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3f1t h ALA 58 CO 0.01 0.62 -0.15 0.82 0.00 0.00 0.00 179.25 180.55 3f1t h ILE 59 N 0.99 1.26 -0.54 0.00 2.04 -1.34 0.12 117.51 120.04 3f1t h ILE 59 Ca 0.20 -1.18 -0.07 0.00 1.00 0.00 0.00 64.86 64.81 3f1t h ILE 59 Cb 0.42 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 3f1t h ILE 59 CO 0.01 0.40 0.08 0.74 0.00 0.00 0.00 178.15 179.37 3f1t h THR 60 N 0.61 1.25 -0.44 -0.27 2.02 -1.05 -1.69 112.91 113.34 3f1t h THR 60 Ca 0.10 -0.97 0.01 0.00 0.77 0.00 0.00 66.41 66.32 3f1t h THR 60 Cb 0.61 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 3f1t h THR 60 CO 0.04 0.35 0.28 0.74 0.37 0.00 0.00 175.52 177.30 3f1t h THR 61 N 0.78 1.08 0.00 3.16 2.02 -1.11 -0.21 112.91 118.62 3f1t h THR 61 Ca 0.16 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.15 3f1t h THR 61 Cb 0.42 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 3f1t h THR 61 CO 0.01 0.10 0.00 -0.11 0.37 0.00 0.00 175.52 175.89 3f1t n LEU 62 N -4.81 0.00 0.00 2.58 7.94 0.39 -0.51 117.00 122.59 3f1t n LEU 62 Ca 0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 3f1t n LEU 62 Cb 0.05 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.00 3f1t n LEU 62 CO 0.33 0.00 0.00 -0.67 -1.11 0.00 0.00 177.39 175.94 3f1t n ASP 64 N -0.02 0.00 -0.35 1.96 2.03 -0.09 -1.14 116.55 118.95 3f1t n ASP 64 Ca 0.00 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.28 3f1t n ASP 64 Cb 0.00 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 40.49 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 1.25 -0.36 5.18 2.02 -1.03 -1.06 112.91 118.91 3f1t h THR 65 Ca 0.00 -0.55 -0.03 0.00 0.77 0.00 0.00 66.41 66.60 3f1t h THR 65 Cb 0.00 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.34 3f1t h THR 65 CO 0.00 0.27 0.10 0.74 0.37 0.00 0.00 175.52 177.00 3f1t h THR 66 N 1.28 1.22 0.00 3.16 2.02 -1.36 -1.32 112.91 117.91 3f1t h THR 66 Ca 0.33 -0.73 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 3f1t h THR 66 Cb -0.06 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 3f1t h THR 66 CO -0.06 0.25 -0.00 0.00 0.37 0.00 0.00 175.52 176.08 3f1t h GLY 68 N -0.07 0.17 0.30 0.00 0.00 -1.03 -2.80 103.07 99.64 3f1t h GLY 68 Ca -0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.23 3f1t h GLY 68 CO 0.00 0.05 -1.77 1.39 0.00 0.00 0.00 176.54 176.21 3f1t n ILE 69 N -4.49 0.36 0.07 2.60 5.41 -0.51 -3.96 119.36 118.84 3f1t n ILE 69 Ca 0.02 -0.56 0.04 0.00 1.00 0.00 0.00 62.75 63.25 3f1t n ILE 69 Cb 0.24 -0.17 0.21 0.00 -0.71 0.00 0.00 39.64 39.20 3f1t n ILE 69 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3f1t n SER 70 N -2.45 0.20 0.07 4.38 3.41 -0.26 -1.34 113.62 117.63 3f1t n SER 70 Ca -0.06 0.54 0.10 0.00 -0.26 0.00 0.00 58.87 59.18 3f1t n SER 70 Cb 0.64 -0.55 0.41 0.00 -0.26 0.00 0.00 64.21 64.45 3f1t n SER 70 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3f1t n THR 71 N -1.74 0.88 0.25 6.66 -2.24 -1.25 -2.17 114.28 114.67 3f1t n THR 71 Ca -0.01 0.22 0.14 0.00 -2.27 0.00 0.00 64.05 62.14 3f1t n THR 71 Cb 0.09 -1.06 0.52 0.00 -2.10 0.00 0.00 70.33 67.79 3f1t n THR 71 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3f1t h VAL 72 N 0.00 0.17 0.00 2.28 -1.51 -1.51 -2.53 116.25 113.15 3f1t h VAL 72 Ca 0.00 -0.80 -0.01 0.00 -1.23 0.00 0.00 66.70 64.65 3f1t h VAL 72 Cb 0.32 1.68 -0.00 0.00 -2.13 0.00 0.00 31.29 31.17 3f1t h VAL 72 CO 0.00 0.07 -0.07 0.00 -1.23 0.00 0.00 177.57 176.35 3f1t n VAL 74 N -3.35 0.00 -3.50 0.00 0.24 -1.13 -4.77 118.33 105.83 3f1t n VAL 74 Ca -0.01 -0.45 -0.37 0.00 -2.04 0.00 0.00 64.34 61.47 3f1t n VAL 74 Cb 0.23 0.99 -0.07 0.00 -1.47 0.00 0.00 33.84 33.52 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 -1.88 4.28 0.09 1.34 1.43 -0.97 -5.01 118.68 117.97 3f1t s LEU 75 Ca 0.00 0.62 -0.30 0.00 -1.03 0.00 0.00 54.13 53.42 3f1t s LEU 75 Cb 0.00 -2.45 -0.13 0.00 0.03 0.00 0.00 46.19 43.64 3f1t s LEU 75 CO 0.00 0.12 1.63 1.55 0.23 0.00 0.00 176.35 179.88 3f1t h PRO 76 N 6.40 -0.62 -5.57 1.29 0.13 -1.92 -3.45 132.00 128.25 3f1t h PRO 76 Ca -0.43 0.04 -0.53 0.00 -0.87 0.00 0.00 66.00 64.21 3f1t h PRO 76 Cb 1.18 0.14 -0.14 0.00 0.13 0.00 0.00 31.00 32.31 3f1t h PRO 76 CO 0.73 -0.42 -0.66 0.34 -0.23 0.00 0.00 178.00 177.77 3f1t s ASP 77 N -4.65 3.04 0.17 1.44 2.15 -1.26 -5.09 116.67 112.46 3f1t s ASP 77 Ca -0.16 -1.24 -0.34 0.00 0.43 0.00 0.00 52.55 51.24 3f1t s ASP 77 Cb 0.06 -0.22 -0.15 0.00 -0.30 0.00 0.00 42.92 42.31 3f1t s ASP 77 CO 0.64 -0.37 1.40 0.33 -0.17 0.00 0.00 175.17 177.00 3f1t n PHE 78 N -0.69 1.87 -3.62 -5.34 7.35 -1.26 -4.99 117.46 110.78 3f1t n PHE 78 Ca -0.05 0.48 -0.15 0.00 -0.76 0.00 0.00 57.45 56.98 3f1t n PHE 78 Cb 0.64 -2.42 -0.07 0.00 0.35 0.00 0.00 39.48 37.98 3f1t n PHE 78 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 3f1t s GLU 79 N 0.22 0.87 -0.39 -4.13 2.12 -1.26 -5.13 118.70 110.99 3f1t s GLU 79 Ca 0.76 0.86 -0.14 0.00 0.36 0.00 0.00 54.97 56.82 3f1t s GLU 79 Cb -0.77 0.42 0.01 0.00 0.26 0.00 0.00 34.13 34.05 3f1t s GLU 79 CO 0.46 -0.14 0.27 0.42 -0.54 0.00 0.00 175.26 175.73 3f1t s ILE 80 N 0.12 5.17 -0.31 -3.70 1.01 -1.26 -4.90 121.20 117.33 3f1t s ILE 80 Ca -0.02 -0.57 -0.18 0.00 0.00 0.00 0.00 60.65 59.88 3f1t s ILE 80 Cb -0.04 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.59 3f1t s ILE 80 CO 0.02 -0.22 0.52 0.00 0.00 0.00 0.00 174.94 175.26 3f1t n PRO 82 N 5.68 0.93 -2.47 0.00 -0.02 -1.26 -4.92 135.00 132.94 3f1t n PRO 82 Ca -0.04 0.36 -0.42 0.00 -2.02 0.00 0.00 63.50 61.38 3f1t n PRO 82 Cb 0.49 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 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 -1.50 4.17 -0.23 3.45 2.01 -1.26 -4.43 115.64 117.85 3f1t s THR 83 Ca 0.76 1.56 -0.04 0.00 0.31 0.00 0.00 61.69 64.27 3f1t s THR 83 Cb -0.42 -4.00 -0.18 0.00 0.01 0.00 0.00 72.50 67.91 3f1t s THR 83 CO 0.47 0.12 -0.10 0.18 -0.69 0.00 0.00 174.62 174.60 3f1t n LEU 84 N 3.97 2.65 -3.51 4.42 4.77 -0.13 -4.98 117.00 124.19 3f1t n LEU 84 Ca 0.09 0.06 -0.16 0.00 -0.03 0.00 0.00 56.01 55.97 3f1t n LEU 84 Cb 0.47 -0.94 -0.05 0.00 -2.33 0.00 0.00 43.42 40.57 3f1t n LEU 84 CO 0.55 0.81 0.40 1.51 -1.33 0.00 0.00 177.39 179.33 3f1t s ASP 85 N -6.83 -0.60 -0.01 -1.43 1.47 -1.13 -4.97 116.67 103.17 3f1t s ASP 85 Ca -0.33 0.45 0.01 0.00 1.18 0.00 0.00 52.55 53.86 3f1t s ASP 85 Cb 0.09 0.54 0.01 0.00 -0.34 0.00 0.00 42.92 43.22 3f1t s ASP 85 CO 0.61 -0.71 -0.03 -0.76 0.68 0.00 0.00 175.17 174.96 3f1t s LEU 86 N -1.70 1.74 -0.14 2.11 1.43 -1.26 -1.47 118.68 119.40 3f1t s LEU 86 Ca -0.07 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 3f1t s LEU 86 Cb -0.00 -0.22 0.02 0.00 0.03 0.00 0.00 46.19 46.02 3f1t s LEU 86 CO 0.02 0.00 -0.11 -0.13 0.23 0.00 0.00 176.35 176.36 3f1t s ARG 87 N 0.27 1.97 -0.12 1.70 1.81 0.21 -4.97 118.95 119.82 3f1t s ARG 87 Ca -0.03 -0.44 0.02 0.00 -1.72 0.00 0.00 55.73 53.57 3f1t s ARG 87 Cb -0.06 -1.90 0.01 0.00 -0.45 0.00 0.00 34.95 32.56 3f1t s ARG 87 CO -0.01 -0.26 -0.17 0.42 -0.68 0.00 0.00 175.30 174.61 3f1t s ILE 88 N 1.58 1.64 -0.07 1.52 1.01 -1.26 -0.00 121.20 125.62 3f1t s ILE 88 Ca 0.05 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 59.99 3f1t s ILE 88 Cb -0.13 -1.48 0.01 0.00 0.01 0.00 0.00 42.46 40.87 3f1t s ILE 88 CO -0.10 0.47 -0.12 -1.81 0.00 0.00 0.00 174.94 173.38 3f1t s ASP 89 N 0.93 1.79 0.57 3.58 1.01 0.22 -5.00 116.67 119.78 3f1t s ASP 89 Ca -0.07 -0.30 0.04 0.00 0.71 0.00 0.00 52.55 52.93 3f1t s ASP 89 Cb -0.15 -0.83 0.06 0.00 1.01 0.00 0.00 42.92 43.02 3f1t s ASP 89 CO -0.01 0.02 0.80 -0.31 0.21 0.00 0.00 175.17 175.88 3f1t s TYR 90 N 0.72 2.25 0.85 4.23 1.51 -1.26 -0.59 117.35 125.06 3f1t s TYR 90 Ca -0.14 -0.28 -0.12 0.00 -1.01 0.00 0.00 57.07 55.52 3f1t s TYR 90 Cb -0.16 -2.65 0.10 0.00 -0.11 0.00 0.00 41.96 39.15 3f1t s TYR 90 CO 0.03 -1.06 1.11 -3.38 -1.11 0.00 0.00 175.55 171.14 3f1t s HIS 92 N -2.77 2.67 0.79 2.71 -3.43 -1.02 -4.96 115.29 109.28 3f1t s HIS 92 Ca 0.60 1.07 -0.13 0.00 -0.80 0.00 0.00 55.06 55.80 3f1t s HIS 92 Cb -0.08 -3.21 0.07 0.00 -1.43 0.00 0.00 32.58 27.93 3f1t s HIS 92 CO 0.39 -2.04 1.16 -2.14 -2.00 0.00 0.00 174.74 170.11 3f1t s PRO 93 N -5.17 1.85 0.49 -0.38 0.02 -1.26 -4.67 135.00 125.88 3f1t s PRO 93 Ca 0.62 1.55 -0.21 0.00 0.02 0.00 0.00 61.00 62.98 3f1t s PRO 93 Cb -0.15 -1.82 -0.08 0.00 0.02 0.00 0.00 34.50 32.47 3f1t s PRO 93 CO 0.54 -2.01 1.07 0.00 -0.33 0.00 0.00 177.00 176.27 3f1t s ALA 94 N -2.41 2.86 0.38 -1.55 0.00 -1.26 -4.93 121.76 114.86 3f1t s ALA 94 Ca 0.69 0.69 -0.25 0.00 0.00 0.00 0.00 51.96 53.08 3f1t s ALA 94 Cb -0.24 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.50 3f1t s ALA 94 CO 0.51 -0.43 1.12 -1.21 0.00 0.00 0.00 175.76 175.75 3f1t s GLU 95 N -3.13 4.17 0.69 0.00 2.02 -1.26 -4.92 118.70 116.27 3f1t s GLU 95 Ca 0.67 1.74 -0.14 0.00 0.02 0.00 0.00 54.97 57.26 3f1t s GLU 95 Cb -0.19 -2.71 0.02 0.00 0.10 0.00 0.00 34.13 31.34 3f1t s GLU 95 CO 0.23 -0.19 1.11 -1.25 0.02 0.00 0.00 175.26 175.18 3f1t s PRO 96 N -2.23 2.63 -1.03 0.39 0.04 -1.26 -4.08 135.00 129.46 3f1t s PRO 96 Ca 0.55 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.92 3f1t s PRO 96 Cb -0.28 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.32 3f1t s PRO 96 CO 0.36 -1.37 0.00 0.72 0.04 0.00 0.00 177.00 176.74 3f1t n HIS 97 N -2.74 -0.41 -3.80 0.56 8.25 -0.38 -4.99 115.22 111.71 3f1t n HIS 97 Ca 0.10 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.42 3f1t n HIS 97 Cb 0.52 -2.50 -0.15 0.00 1.12 0.00 0.00 29.99 28.98 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 -4.18 0.02 0.65 -0.41 1.02 -1.26 -5.07 119.74 110.52 3f1t s LYS 98 Ca 0.00 0.17 -0.17 0.00 0.02 0.00 0.00 55.97 55.99 3f1t s LYS 98 Cb 0.00 -0.13 -0.03 0.00 -0.52 0.00 0.00 37.83 37.15 3f1t s LYS 98 CO 0.00 -0.11 0.95 -0.25 -0.92 0.00 0.00 175.35 175.02 3f1t n ASP 99 N 3.76 0.57 -4.48 2.83 8.00 -1.26 -4.54 116.55 121.43 3f1t n ASP 99 Ca -0.22 0.74 -0.34 0.00 0.71 0.00 0.00 54.79 55.69 3f1t n ASP 99 Cb 0.54 -1.39 -0.12 0.00 -0.02 0.00 0.00 41.12 40.13 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 -1.63 3.81 -0.04 2.53 1.01 -0.46 -4.61 120.40 121.01 3f1t s VAL 100 Ca 0.75 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 62.32 3f1t s VAL 100 Cb -0.39 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 3f1t s VAL 100 CO 0.48 0.49 0.12 -0.31 0.00 0.00 0.00 175.10 175.88 3f1t s TYR 101 N 0.44 3.43 -0.10 5.22 1.51 0.26 0.56 117.35 128.67 3f1t s TYR 101 Ca -0.04 0.32 0.04 0.00 -1.01 0.00 0.00 57.07 56.38 3f1t s TYR 101 Cb -0.14 -1.81 -0.00 0.00 -0.11 0.00 0.00 41.96 39.89 3f1t s TYR 101 CO 0.03 0.61 -0.22 0.20 -1.11 0.00 0.00 175.55 175.06 3f1t s GLY 102 N -1.58 1.36 0.04 0.71 0.00 0.29 -1.40 107.32 106.74 3f1t s GLY 102 Ca 0.22 -0.97 0.08 0.00 0.00 0.00 0.00 44.72 44.05 3f1t s GLY 102 CO 0.12 -0.36 -0.23 -0.12 0.00 0.00 0.00 173.10 172.51 3f1t s PHE 103 N 0.25 2.42 -0.11 1.90 2.19 -0.77 -0.15 117.98 123.71 3f1t s PHE 103 Ca -0.15 -0.34 -0.17 0.00 0.33 0.00 0.00 56.93 56.59 3f1t s PHE 103 Cb -0.17 -1.42 0.04 0.00 -1.31 0.00 0.00 43.02 40.16 3f1t s PHE 103 CO 0.08 0.18 0.44 0.00 1.83 0.00 0.00 175.22 177.75 3f1t s ALA 104 N -0.86 -1.10 -0.01 11.12 0.00 -0.11 -1.76 121.76 129.03 3f1t s ALA 104 Ca 0.13 1.01 0.02 0.00 0.00 0.00 0.00 51.96 53.12 3f1t s ALA 104 Cb -0.10 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.60 3f1t s ALA 104 CO 0.03 -0.25 -0.05 -1.83 0.00 0.00 0.00 175.76 173.67 3f1t s GLU 105 N -0.37 0.52 0.10 0.00 -1.05 -0.58 -1.00 118.70 116.31 3f1t s GLU 105 Ca -0.05 -0.16 -0.31 0.00 -0.15 0.00 0.00 54.97 54.30 3f1t s GLU 105 Cb -0.03 -0.53 -0.07 0.00 -0.44 0.00 0.00 34.13 33.06 3f1t s GLU 105 CO 0.03 0.06 1.35 0.00 0.95 0.00 0.00 175.26 177.65 3f1t n TYR 107 N 3.97 0.00 -3.76 0.00 0.18 0.68 -4.96 117.16 113.27 3f1t n TYR 107 Ca 0.11 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.76 3f1t n TYR 107 Cb 0.43 -0.01 -0.11 0.00 -0.38 0.00 0.00 39.34 39.28 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 -1.32 0.39 -0.10 -3.48 3.52 -1.13 -5.01 118.95 111.81 3f1t s ARG 108 Ca 0.01 0.48 -0.01 0.00 -0.13 0.00 0.00 55.73 56.08 3f1t s ARG 108 Cb 0.02 0.18 0.03 0.00 -1.56 0.00 0.00 34.95 33.61 3f1t s ARG 108 CO 0.10 -0.05 -0.04 0.08 -0.81 0.00 0.00 175.30 174.57 3f1t s VAL 109 N 0.24 0.79 0.49 7.11 1.01 -1.26 -0.34 120.40 128.43 3f1t s VAL 109 Ca -0.01 -0.18 0.06 0.00 0.00 0.00 0.00 61.98 61.86 3f1t s VAL 109 Cb -0.03 -0.88 0.01 0.00 0.00 0.00 0.00 36.38 35.48 3f1t s VAL 109 CO -0.00 0.29 0.36 0.42 0.00 0.00 0.00 175.10 176.17 3f1t s THR 110 N 1.80 2.04 0.41 3.92 -4.23 0.35 -5.01 115.64 114.93 3f1t s THR 110 Ca 0.04 -1.49 0.17 0.00 -1.18 0.00 0.00 61.69 59.24 3f1t s THR 110 Cb -0.13 -2.53 0.38 0.00 1.34 0.00 0.00 72.50 71.57 3f1t s THR 110 CO -0.07 0.00 1.83 -0.65 -0.54 0.00 0.00 174.62 175.19 3f1t h PRO 111 N 0.94 0.41 0.00 3.99 0.11 -2.01 -3.23 132.00 132.21 3f1t h PRO 111 Ca -0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3f1t h PRO 111 Cb 1.28 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3f1t h PRO 111 CO 0.59 0.27 0.00 0.09 -0.21 0.00 0.00 178.00 178.74 3f1t n ASN 112 N -4.54 0.93 -3.99 -2.05 3.02 -1.26 -4.88 115.26 102.49 3f1t n ASN 112 Ca 0.21 -1.36 -0.18 0.00 -0.03 0.00 0.00 54.58 53.22 3f1t n ASN 112 Cb 0.73 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.76 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 -0.36 0.60 -0.12 2.41 1.01 -1.22 -1.08 120.40 121.63 3f1t s VAL 113 Ca 0.00 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.70 3f1t s VAL 113 Cb 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.87 3f1t s VAL 113 CO 0.00 0.18 -0.22 -0.63 0.00 0.00 0.00 175.10 174.42 3f1t s ILE 114 N -0.07 2.14 -0.18 2.22 1.01 -0.21 -0.49 121.20 125.61 3f1t s ILE 114 Ca 0.01 -0.97 -0.05 0.00 0.00 0.00 0.00 60.65 59.63 3f1t s ILE 114 Cb -0.04 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.56 3f1t s ILE 114 CO -0.00 0.55 0.01 -0.36 0.00 0.00 0.00 174.94 175.14 3f1t s PHE 115 N 0.53 3.09 0.01 3.97 0.08 0.53 -0.50 117.98 125.70 3f1t s PHE 115 Ca -0.14 -0.25 0.04 0.00 0.12 0.00 0.00 56.93 56.70 3f1t s PHE 115 Cb -0.17 -2.05 -0.01 0.00 -0.57 0.00 0.00 43.02 40.21 3f1t s PHE 115 CO 0.05 -0.07 -0.13 0.95 -0.10 0.00 0.00 175.22 175.91 3f1t s THR 116 N 0.67 1.03 0.12 0.64 -4.23 -0.01 -0.23 115.64 113.63 3f1t s THR 116 Ca 0.00 -0.72 0.09 0.00 -1.18 0.00 0.00 61.69 59.88 3f1t s THR 116 Cb -0.14 -0.90 -0.04 0.00 1.34 0.00 0.00 72.50 72.77 3f1t s THR 116 CO 0.02 0.16 -0.22 0.00 -0.54 0.00 0.00 174.62 174.04 3f1t s ARG 117 N -0.64 1.22 0.29 3.99 1.70 -0.84 -1.09 118.95 123.59 3f1t s ARG 117 Ca 0.03 -1.24 -0.09 0.00 -0.47 0.00 0.00 55.73 53.96 3f1t s ARG 117 Cb -0.06 -1.53 0.04 0.00 -0.57 0.00 0.00 34.95 32.83 3f1t s ARG 117 CO 0.00 0.35 0.55 0.41 -1.08 0.00 0.00 175.30 175.53 3f1t n GLY 118 N 0.94 1.51 3.43 3.88 0.00 0.12 -1.53 105.19 113.54 3f1t n GLY 118 Ca -0.18 -1.29 -0.10 0.00 0.00 0.00 0.00 46.02 44.44 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 -3.69 -0.13 0.05 1.61 -0.71 -0.72 -1.27 117.98 113.11 3f1t s PHE 119 Ca 0.15 -0.19 0.07 0.00 -1.04 0.00 0.00 56.93 55.91 3f1t s PHE 119 Cb -0.03 0.33 -0.03 0.00 -1.21 0.00 0.00 43.02 42.07 3f1t s PHE 119 CO 0.11 -0.83 -0.16 0.00 -1.34 0.00 0.00 175.22 173.00 3f1t s ALA 120 N -3.85 2.69 0.25 1.99 0.00 -0.43 -1.86 121.76 120.55 3f1t s ALA 120 Ca 0.07 -1.19 -0.20 0.00 0.00 0.00 0.00 51.96 50.64 3f1t s ALA 120 Cb 0.00 -0.79 0.02 0.00 0.00 0.00 0.00 23.12 22.35 3f1t s ALA 120 CO -0.06 0.59 0.64 1.52 0.00 0.00 0.00 175.76 178.45 3f1t s TYR 121 N -0.99 -0.14 0.02 0.00 -0.85 -0.49 -0.35 117.35 114.54 3f1t s TYR 121 Ca 0.16 -0.25 -0.01 0.00 -0.52 0.00 0.00 57.07 56.44 3f1t s TYR 121 Cb -0.11 0.57 -0.00 0.00 0.38 0.00 0.00 41.96 42.80 3f1t s TYR 121 CO 0.07 -1.11 -0.02 1.04 -1.52 0.00 0.00 175.55 174.00 3f1t n GLN 122 N -0.42 0.04 0.00 -3.49 6.02 -1.26 -0.58 117.38 117.69 3f1t n GLN 122 Ca -0.06 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 3f1t n GLN 122 Cb 0.61 -0.30 0.00 0.00 1.02 0.00 0.00 30.24 31.56 3f1t n GLN 122 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3f1t n ASP 123 N -2.92 0.00 -4.90 1.08 8.00 -1.26 -4.78 116.55 111.78 3f1t n ASP 123 Ca -0.01 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.18 3f1t n ASP 123 Cb 0.04 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.09 3f1t n ASP 123 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3f1t s ASP 124 N -1.00 6.50 0.00 -2.24 -0.00 -1.26 -4.93 116.67 113.75 3f1t s ASP 124 Ca 0.00 0.64 0.00 0.00 -0.00 0.00 0.00 52.55 53.19 3f1t s ASP 124 Cb 0.00 -2.11 0.00 0.00 -0.00 0.00 0.00 42.92 40.81 3f1t s ASP 124 CO 0.00 0.01 0.24 -2.65 -0.00 0.00 0.00 175.17 172.76 3f1t n PRO 125 N -0.07 0.00 0.33 8.23 -0.02 -1.26 -4.16 135.00 138.04 3f1t n PRO 125 Ca -0.02 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.33 3f1t n PRO 125 Cb 0.52 -1.30 -0.06 0.00 -0.02 0.00 0.00 33.50 32.64 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 -0.86 -7.46 -1.23 0.00 -1.98 -3.32 103.07 88.22 3f1t h GLY 126 Ca 0.00 0.32 -0.67 0.00 0.00 0.00 0.00 47.33 46.98 3f1t h GLY 126 CO 0.00 -0.31 -0.49 -0.86 0.00 0.00 0.00 176.54 174.87 3f1t s GLN 127 N -4.75 2.29 0.60 4.80 0.00 -1.26 -5.09 119.66 116.25 3f1t s GLN 127 Ca -0.12 -2.60 -0.20 0.00 -0.00 0.00 0.00 55.36 52.44 3f1t s GLN 127 Cb 0.01 -3.53 -0.03 0.00 0.00 0.00 0.00 33.01 29.46 3f1t s GLN 127 CO 0.36 -1.14 1.29 -0.35 0.00 0.00 0.00 175.29 175.45 3f1t n PRO 128 N 3.26 1.36 -0.36 9.60 -0.04 -1.25 -4.89 135.00 142.67 3f1t n PRO 128 Ca 0.07 0.51 0.05 0.00 -0.04 0.00 0.00 63.50 64.10 3f1t n PRO 128 Cb 0.35 -2.52 0.22 0.00 -0.04 0.00 0.00 33.50 31.51 3f1t n PRO 128 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3f1t h ILE 129 N 0.94 0.99 -2.77 0.52 2.04 -0.97 -3.41 117.51 114.85 3f1t h ILE 129 Ca -0.51 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 64.95 3f1t h ILE 129 Cb 1.33 -0.17 -0.15 0.00 -0.74 0.00 0.00 36.82 37.09 3f1t h ILE 129 CO 0.55 0.19 0.13 0.00 0.00 0.00 0.00 178.15 179.03 3f1t s ALA 130 N -5.98 -1.50 0.01 1.87 0.00 -1.21 -2.45 121.76 112.50 3f1t s ALA 130 Ca -0.12 0.64 0.05 0.00 0.00 0.00 0.00 51.96 52.53 3f1t s ALA 130 Cb 0.21 0.55 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 3f1t s ALA 130 CO 0.81 -0.61 -0.14 -1.01 0.00 0.00 0.00 175.76 174.81 3f1t s HIS 131 N -2.88 2.68 -0.02 0.00 3.76 0.24 -1.32 115.29 117.76 3f1t s HIS 131 Ca -0.03 -0.18 0.01 0.00 -0.15 0.00 0.00 55.06 54.71 3f1t s HIS 131 Cb -0.00 -1.54 0.01 0.00 1.11 0.00 0.00 32.58 32.16 3f1t s HIS 131 CO -0.05 0.27 -0.04 0.54 -0.85 0.00 0.00 174.74 174.62 3f1t s VAL 132 N -0.91 0.35 0.01 -0.90 0.11 -0.40 -0.61 120.40 118.06 3f1t s VAL 132 Ca 0.15 -0.12 0.06 0.00 -2.93 0.00 0.00 61.98 59.14 3f1t s VAL 132 Cb -0.11 -0.35 -0.02 0.00 -1.53 0.00 0.00 36.38 34.38 3f1t s VAL 132 CO 0.05 0.13 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.07 3f1t s VAL 133 N 0.31 1.55 0.00 2.04 1.01 1.00 -0.71 120.40 125.60 3f1t s VAL 133 Ca -0.03 -0.99 -0.19 0.00 0.00 0.00 0.00 61.98 60.77 3f1t s VAL 133 Cb -0.07 -1.32 0.04 0.00 0.00 0.00 0.00 36.38 35.03 3f1t s VAL 133 CO -0.00 0.31 0.42 -0.83 0.00 0.00 0.00 175.10 174.99 3f1t s GLY 134 N -0.79 -0.28 0.04 4.51 0.00 -0.25 0.66 107.32 111.20 3f1t s GLY 134 Ca 0.07 0.50 0.07 0.00 0.00 0.00 0.00 44.72 45.36 3f1t s GLY 134 CO 0.00 0.24 -0.20 0.00 0.00 0.00 0.00 173.10 173.14 3f1t s ALA 135 N -1.76 1.72 0.00 3.20 0.00 -0.54 -0.83 121.76 123.55 3f1t s ALA 135 Ca -0.10 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.84 3f1t s ALA 135 Cb -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.75 3f1t s ALA 135 CO 0.03 0.39 0.00 1.19 0.00 0.00 0.00 175.76 177.36 3f1t n PHE 136 N 1.93 0.00 -0.55 0.00 3.01 0.34 -0.95 117.46 121.24 3f1t n PHE 136 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.29 3f1t n PHE 136 Cb 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.00 3f1t n PHE 136 CO 0.00 0.00 0.00 2.89 1.01 0.00 0.00 176.76 180.66