#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hfd n SER 2 N 0.00 -4.70 -4.50 7.83 7.64 -1.26 -4.93 113.62 113.70 2hfd n SER 2 Ca 0.00 0.04 -0.43 0.00 1.01 0.00 0.00 58.87 59.48 2hfd n SER 2 Cb 0.00 -3.80 -0.01 0.00 -1.01 0.00 0.00 64.21 59.39 2hfd n SER 2 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2hfd s ASN 3 N -2.37 6.86 0.00 6.43 -0.87 -1.26 -4.36 114.94 119.37 2hfd s ASN 3 Ca 0.00 -2.49 0.00 0.00 -1.57 0.00 0.00 52.86 48.80 2hfd s ASN 3 Cb 0.00 -2.46 0.00 0.00 -0.02 0.00 0.00 41.25 38.77 2hfd s ASN 3 CO 0.00 -1.00 0.00 -0.67 -2.57 0.00 0.00 177.10 172.86 2hfd n ASP 4 N 6.82 0.00 0.00 -1.22 2.03 -1.26 -4.99 116.55 117.92 2hfd n ASP 4 Ca 0.36 -0.99 0.00 0.00 0.52 0.00 0.00 54.79 54.68 2hfd n ASP 4 Cb 0.46 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 2hfd n ASP 4 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2hfd n THR 5 N 0.00 0.00 0.14 5.18 -1.04 -1.26 -4.98 114.28 112.32 2hfd n THR 5 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 2hfd n THR 5 Cb 0.25 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.72 2hfd n THR 5 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2hfd h PRO 6 N 0.00 -0.41 -0.78 -2.82 0.11 -1.95 0.35 132.00 126.50 2hfd h PRO 6 Ca 0.00 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2hfd h PRO 6 Cb 0.00 0.09 -0.04 0.00 0.11 0.00 0.00 31.00 31.16 2hfd h PRO 6 CO 0.00 -0.27 0.49 0.35 -0.21 0.00 0.00 178.00 178.36 2hfd h PHE 7 N -0.42 1.01 0.26 0.65 3.57 -1.94 -1.24 116.94 118.83 2hfd h PHE 7 Ca -0.03 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2hfd h PHE 7 Cb 0.35 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 2hfd h PHE 7 CO -0.02 0.65 -0.16 0.22 -2.23 0.00 0.00 178.31 176.77 2hfd h ASP 8 N 1.07 -0.41 -0.51 0.41 1.82 -1.88 0.15 116.42 117.06 2hfd h ASP 8 Ca 0.28 0.03 -0.06 0.00 -0.39 0.00 0.00 57.03 56.89 2hfd h ASP 8 Cb -0.08 0.12 -0.02 0.00 0.68 0.00 0.00 39.33 40.03 2hfd h ASP 8 CO -0.06 -0.26 0.11 0.00 -1.61 0.00 0.00 179.24 177.42 2hfd h ALA 9 N 0.31 1.13 -0.15 -0.78 0.00 -0.07 -0.63 119.26 119.07 2hfd h ALA 9 Ca -0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2hfd h ALA 9 Cb 0.35 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2hfd h ALA 9 CO 0.02 0.58 0.02 -0.07 0.00 0.00 0.00 179.25 179.80 2hfd h LEU 10 N 0.84 0.24 -0.98 0.00 -0.00 -0.92 -2.61 115.31 111.88 2hfd h LEU 10 Ca 0.18 -0.26 -0.08 0.00 -0.00 0.00 0.00 57.88 57.71 2hfd h LEU 10 Cb 0.35 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 40.93 2hfd h LEU 10 CO 0.00 0.44 -0.11 -0.25 -0.00 0.00 0.00 178.44 178.53 2hfd h TRP 11 N 0.03 0.67 -0.67 1.13 7.01 -0.48 -1.40 115.95 122.24 2hfd h TRP 11 Ca 0.05 -0.11 0.05 0.00 2.11 0.00 0.00 58.89 60.99 2hfd h TRP 11 Cb 0.31 -0.18 -0.05 0.00 -2.10 0.00 0.00 29.16 27.14 2hfd h TRP 11 CO 0.02 0.70 0.39 1.96 -2.79 0.00 0.00 178.44 178.72 2hfd h GLN 12 N 0.57 0.71 0.27 2.65 1.08 -1.03 0.35 115.11 119.70 2hfd h GLN 12 Ca 0.10 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 2hfd h GLN 12 Cb 0.52 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 2hfd h GLN 12 CO 0.03 0.47 -0.13 0.00 -0.95 0.00 0.00 178.83 178.25 2hfd h ARG 13 N 0.73 -0.35 -0.98 1.46 2.47 -1.03 -1.83 114.38 114.86 2hfd h ARG 13 Ca 0.29 0.02 0.08 0.00 -1.26 0.00 0.00 59.98 59.12 2hfd h ARG 13 Cb 0.14 0.08 -0.07 0.00 -1.65 0.00 0.00 29.97 28.47 2hfd h ARG 13 CO -0.16 -0.09 0.63 0.52 0.56 0.00 0.00 179.97 181.43 2hfd h MET 14 N -0.57 1.05 -0.37 0.04 2.86 -0.96 -1.83 114.93 115.14 2hfd h MET 14 Ca -0.04 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.40 2hfd h MET 14 Cb 0.42 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 2hfd h MET 14 CO 0.06 0.69 -0.32 -0.07 1.06 0.00 0.00 176.91 178.33 2hfd h LEU 15 N 1.08 0.87 -1.27 1.22 -0.00 -0.27 -3.01 115.31 113.92 2hfd h LEU 15 Ca 0.44 -0.36 -0.07 0.00 -0.00 0.00 0.00 57.88 57.88 2hfd h LEU 15 Cb 0.28 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 40.69 2hfd h LEU 15 CO -0.19 1.11 -0.34 0.00 -0.00 0.00 0.00 178.44 179.02 2hfd h ALA 16 N 0.94 1.40 0.00 1.53 0.00 -0.51 -2.49 119.26 120.12 2hfd h ALA 16 Ca 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2hfd h ALA 16 Cb 0.87 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2hfd h ALA 16 CO 0.08 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.77 2hfd h ARG 17 N 0.04 0.00 0.00 0.00 2.47 -1.28 -3.46 114.38 112.14 2hfd h ARG 17 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2hfd h ARG 17 Cb 0.62 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 2hfd h ARG 17 CO 0.05 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.99 2hfd n GLY 18 N 0.39 0.79 3.44 0.04 0.00 -0.94 -5.12 105.19 103.79 2hfd n GLY 18 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 2hfd n GLY 18 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2hfd s TRP 19 N -1.44 2.71 -0.08 1.61 0.51 -1.23 -5.08 118.94 115.95 2hfd s TRP 19 Ca 0.00 -0.30 -0.12 0.00 -2.12 0.00 0.00 56.10 53.57 2hfd s TRP 19 Cb 0.00 -1.67 -0.05 0.00 -0.81 0.00 0.00 33.47 30.94 2hfd s TRP 19 CO 0.00 0.07 0.28 0.95 -0.51 0.00 0.00 176.95 177.75 2hfd s THR 20 N -0.45 5.27 0.57 2.01 -4.23 -1.22 -4.67 115.64 112.90 2hfd s THR 20 Ca 0.06 0.54 -0.06 0.00 -1.18 0.00 0.00 61.69 61.05 2hfd s THR 20 Cb -0.12 -3.58 -0.00 0.00 1.34 0.00 0.00 72.50 70.14 2hfd s THR 20 CO 0.02 0.56 0.88 -2.16 -0.54 0.00 0.00 174.62 173.38 2hfd s PRO 21 N -0.76 3.09 -0.20 3.99 0.05 -1.26 -1.10 135.00 138.82 2hfd s PRO 21 Ca 0.19 0.08 -0.27 0.00 0.05 0.00 0.00 61.00 61.05 2hfd s PRO 21 Cb -0.14 -2.29 0.09 0.00 0.05 0.00 0.00 34.50 32.21 2hfd s PRO 21 CO 0.08 -0.58 0.81 0.54 0.05 0.00 0.00 177.00 177.90 2hfd s VAL 22 N -2.94 0.00 0.34 -0.36 0.11 -0.99 -4.83 120.40 111.72 2hfd s VAL 22 Ca 0.52 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 59.51 2hfd s VAL 22 Cb -0.10 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.69 2hfd s VAL 22 CO 0.45 0.00 0.63 -0.94 -3.33 0.00 0.00 175.10 171.91 2hfd s SER 23 N -0.23 6.45 -1.20 3.54 1.04 -1.26 -4.65 113.70 117.39 2hfd s SER 23 Ca -0.02 0.83 -0.20 0.00 0.48 0.00 0.00 55.95 57.04 2hfd s SER 23 Cb -0.03 -2.20 -0.03 0.00 0.10 0.00 0.00 66.02 63.86 2hfd s SER 23 CO 0.02 -0.28 1.88 1.21 0.98 0.00 0.00 173.24 177.05 2hfd n GLU 24 N -1.16 2.21 0.00 4.02 0.00 -1.26 -2.38 120.64 122.08 2hfd n GLU 24 Ca -0.01 -2.69 0.00 0.00 0.00 0.00 0.00 57.16 54.46 2hfd n GLU 24 Cb 0.54 -3.54 0.00 0.00 0.00 0.00 0.00 31.44 28.44 2hfd n GLU 24 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2hfd n SER 25 N 11.13 0.00 -0.04 4.31 7.64 -1.26 -4.93 113.62 130.48 2hfd n SER 25 Ca 0.47 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.36 2hfd n SER 25 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 2hfd n SER 25 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2hfd n ARG 26 N -0.92 -0.57 -0.27 1.43 0.00 -1.06 -4.50 116.66 110.76 2hfd n ARG 26 Ca 0.00 -0.63 0.05 0.00 -0.00 0.00 0.00 57.85 57.27 2hfd n ARG 26 Cb 0.00 -1.02 0.19 0.00 -0.00 0.00 0.00 32.46 31.63 2hfd n ARG 26 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2hfd h LEU 27 N 0.17 0.47 -0.09 2.89 7.12 -1.81 0.32 115.31 124.38 2hfd h LEU 27 Ca 0.00 0.08 -0.15 0.00 0.13 0.00 0.00 57.88 57.94 2hfd h LEU 27 Cb 0.08 0.01 0.01 0.00 -0.53 0.00 0.00 40.66 40.22 2hfd h LEU 27 CO 0.00 0.23 -0.54 -0.78 -0.13 0.00 0.00 178.44 177.21 2hfd h ASP 28 N 0.60 0.64 0.18 1.25 3.58 -1.88 -1.45 116.42 119.33 2hfd h ASP 28 Ca 0.42 -0.66 -0.00 0.00 0.42 0.00 0.00 57.03 57.21 2hfd h ASP 28 Cb 0.54 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 2hfd h ASP 28 CO -0.33 1.19 -0.13 -0.78 -2.88 0.00 0.00 179.24 176.30 2hfd h ASP 29 N 0.13 -0.34 -0.75 2.28 3.58 -1.72 0.11 116.42 119.71 2hfd h ASP 29 Ca -0.04 0.03 0.03 0.00 0.42 0.00 0.00 57.03 57.46 2hfd h ASP 29 Cb 1.19 0.11 -0.05 0.00 1.72 0.00 0.00 39.33 42.31 2hfd h ASP 29 CO 0.11 -0.21 0.48 -0.25 -2.88 0.00 0.00 179.24 176.49 2hfd h TRP 30 N -0.32 0.89 -0.20 0.28 7.01 -0.43 -1.82 115.95 121.37 2hfd h TRP 30 Ca -0.01 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 60.94 2hfd h TRP 30 Cb 0.28 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 27.03 2hfd h TRP 30 CO -0.10 0.52 -0.22 1.25 -2.79 0.00 0.00 178.44 177.09 2hfd h LEU 31 N 0.93 0.35 -0.73 0.65 5.85 -0.94 0.33 115.31 121.74 2hfd h LEU 31 Ca 0.30 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2hfd h LEU 31 Cb 0.01 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 2hfd h LEU 31 CO -0.11 0.58 0.47 0.74 -0.34 0.00 0.00 178.44 179.79 2hfd h THR 32 N 0.32 1.19 0.13 1.05 2.02 0.06 -3.11 112.91 114.57 2hfd h THR 32 Ca 0.05 -0.37 -0.25 0.00 0.77 0.00 0.00 66.41 66.61 2hfd h THR 32 Cb 0.57 0.13 0.01 0.00 -1.74 0.00 0.00 68.15 67.12 2hfd h THR 32 CO 0.04 0.19 -1.22 1.56 0.37 0.00 0.00 175.52 176.46 2hfd h GLN 33 N 0.99 0.28 -4.00 6.66 4.20 -1.11 -3.42 115.11 118.71 2hfd h GLN 33 Ca 0.27 -0.48 -0.69 0.00 0.06 0.00 0.00 58.65 57.80 2hfd h GLN 33 Cb -0.10 0.18 -0.35 0.00 0.30 0.00 0.00 27.48 27.51 2hfd h GLN 33 CO -0.06 1.23 -0.46 0.00 -0.67 0.00 0.00 178.83 178.87 2hfd s ALA 34 N -2.47 3.37 0.55 3.87 0.00 0.11 -5.09 121.76 122.11 2hfd s ALA 34 Ca -0.17 -2.92 -0.00 0.00 0.00 0.00 0.00 51.96 48.86 2hfd s ALA 34 Cb 0.03 -2.53 0.01 0.00 0.00 0.00 0.00 23.12 20.63 2hfd s ALA 34 CO 0.80 -1.96 0.06 -0.35 0.00 0.00 0.00 175.76 174.31 2hfd n PRO 35 N 3.99 0.42 -2.99 0.00 -0.05 -1.18 -4.23 135.00 130.96 2hfd n PRO 35 Ca 0.03 -0.15 -0.04 0.00 -0.05 0.00 0.00 63.50 63.29 2hfd n PRO 35 Cb 0.39 -0.05 0.00 0.00 -0.05 0.00 0.00 33.50 33.80 2hfd n PRO 35 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 2hfd n ASP 36 N -3.01 -7.21 -0.93 3.54 8.00 -1.26 -4.29 116.55 111.39 2hfd n ASP 36 Ca 0.01 0.81 0.00 0.00 0.71 0.00 0.00 54.79 56.32 2hfd n ASP 36 Cb 0.03 -3.44 0.00 0.00 -0.02 0.00 0.00 41.12 37.69 2hfd n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2hfd n GLY 37 N 0.82 1.69 3.00 0.44 0.00 -1.18 -1.15 105.19 108.81 2hfd n GLY 37 Ca 0.00 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 2hfd n GLY 37 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2hfd s VAL 38 N -2.78 0.39 0.00 1.61 -7.23 -0.14 -0.91 120.40 111.33 2hfd s VAL 38 Ca 0.00 -0.68 0.01 0.00 -1.81 0.00 0.00 61.98 59.50 2hfd s VAL 38 Cb 0.00 -0.42 -0.00 0.00 0.56 0.00 0.00 36.38 36.52 2hfd s VAL 38 CO 0.00 -0.20 -0.03 0.54 -0.31 0.00 0.00 175.10 175.10 2hfd s VAL 39 N -0.85 0.21 -0.18 1.32 0.11 0.28 -0.89 120.40 120.39 2hfd s VAL 39 Ca -0.06 -0.18 -0.11 0.00 -2.93 0.00 0.00 61.98 58.70 2hfd s VAL 39 Cb -0.06 -0.20 -0.05 0.00 -1.53 0.00 0.00 36.38 34.54 2hfd s VAL 39 CO -0.00 0.02 0.19 -0.76 -3.33 0.00 0.00 175.10 171.21 2hfd s LEU 40 N -0.18 4.24 -0.33 2.54 1.02 -1.20 0.02 118.68 124.79 2hfd s LEU 40 Ca -0.00 0.34 -0.09 0.00 0.02 0.00 0.00 54.13 54.41 2hfd s LEU 40 Cb -0.02 -2.19 0.02 0.00 0.02 0.00 0.00 46.19 44.02 2hfd s LEU 40 CO -0.00 0.17 0.14 -0.22 0.02 0.00 0.00 176.35 176.46 2hfd s LEU 41 N 0.29 4.27 0.27 1.79 1.98 0.12 -4.39 118.68 122.99 2hfd s LEU 41 Ca 0.11 -0.82 0.00 0.00 -2.89 0.00 0.00 54.13 50.53 2hfd s LEU 41 Cb -0.12 -1.96 0.00 0.00 0.66 0.00 0.00 46.19 44.78 2hfd s LEU 41 CO 0.00 -0.28 0.00 -1.20 -1.89 0.00 0.00 176.35 172.99 2hfd n SER 42 N 4.93 -5.92 -0.25 3.68 7.64 -1.26 -2.26 113.62 120.17 2hfd n SER 42 Ca -0.13 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.25 2hfd n SER 42 Cb 0.47 -3.07 0.00 0.00 -1.01 0.00 0.00 64.21 60.60 2hfd n SER 42 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2hfd n SER 43 N -3.40 0.00 -3.70 6.43 7.64 -1.26 -4.75 113.62 114.58 2hfd n SER 43 Ca -0.00 -1.39 -0.29 0.00 1.01 0.00 0.00 58.87 58.19 2hfd n SER 43 Cb 0.46 -0.08 -0.12 0.00 -1.01 0.00 0.00 64.21 63.45 2hfd n SER 43 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2hfd s ASP 44 N -0.39 3.51 -0.05 6.43 2.15 -1.26 -5.01 116.67 122.05 2hfd s ASP 44 Ca 0.00 -2.92 -0.20 0.00 0.43 0.00 0.00 52.55 49.86 2hfd s ASP 44 Cb 0.00 -1.05 -0.05 0.00 -0.30 0.00 0.00 42.92 41.52 2hfd s ASP 44 CO 0.00 -0.22 0.58 -2.16 -0.17 0.00 0.00 175.17 173.20 2hfd s PRO 45 N -0.02 4.34 0.14 4.34 0.05 -1.26 -4.69 135.00 137.89 2hfd s PRO 45 Ca 0.21 0.68 0.17 0.00 0.05 0.00 0.00 61.00 62.11 2hfd s PRO 45 Cb -0.16 -3.39 -0.07 0.00 0.05 0.00 0.00 34.50 30.93 2hfd s PRO 45 CO -0.06 0.25 1.03 0.87 0.05 0.00 0.00 177.00 179.14 2hfd h LYS 46 N 6.17 0.00 0.00 4.56 6.56 -1.98 -3.31 116.57 128.58 2hfd h LYS 46 Ca -0.43 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.16 2hfd h LYS 46 Cb 1.19 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 2hfd h LYS 46 CO 0.72 0.34 -0.97 0.54 -2.06 0.00 0.00 179.45 178.02 2hfd n ARG 47 N -2.98 0.52 -3.80 3.15 1.74 -1.26 -4.64 116.66 109.39 2hfd n ARG 47 Ca -0.05 0.09 -0.29 0.00 -0.77 0.00 0.00 57.85 56.82 2hfd n ARG 47 Cb 0.79 -1.77 -0.13 0.00 -1.02 0.00 0.00 32.46 30.33 2hfd n ARG 47 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2hfd s THR 48 N -3.32 1.93 0.05 0.55 2.01 -1.24 -4.95 115.64 110.68 2hfd s THR 48 Ca 0.01 -3.02 -0.01 0.00 0.31 0.00 0.00 61.69 58.98 2hfd s THR 48 Cb 0.11 -2.34 -0.27 0.00 0.01 0.00 0.00 72.50 70.01 2hfd s THR 48 CO 0.78 -0.89 1.04 -0.65 -0.69 0.00 0.00 174.62 174.22 2hfd h PRO 49 N 6.46 0.21 -1.52 4.92 0.11 -1.83 -3.38 132.00 136.97 2hfd h PRO 49 Ca -0.01 -0.36 -0.35 0.00 0.11 0.00 0.00 66.00 65.39 2hfd h PRO 49 Cb 0.89 0.13 -0.15 0.00 0.11 0.00 0.00 31.00 31.99 2hfd h PRO 49 CO 0.58 1.11 0.44 0.39 -0.21 0.00 0.00 178.00 180.31 2hfd n GLU 50 N -3.45 1.89 0.17 1.05 1.02 -1.26 -4.18 120.64 115.88 2hfd n GLU 50 Ca -0.10 -1.71 0.03 0.00 -0.02 0.00 0.00 57.16 55.36 2hfd n GLU 50 Cb 1.02 -1.69 0.27 0.00 -0.02 0.00 0.00 31.44 31.02 2hfd n GLU 50 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2hfd h VAL 51 N 1.06 1.05 0.00 2.62 2.07 -1.99 -2.85 116.25 118.21 2hfd h VAL 51 Ca 0.32 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 66.09 2hfd h VAL 51 Cb 0.89 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 2hfd h VAL 51 CO 0.82 0.45 0.00 -1.20 0.02 0.00 0.00 177.57 177.65 2hfd n SER 52 N -3.59 0.00 -0.05 0.57 7.64 -1.26 -4.07 113.62 112.86 2hfd n SER 52 Ca -0.00 -0.26 -0.07 0.00 1.01 0.00 0.00 58.87 59.55 2hfd n SER 52 Cb 0.55 -0.14 -0.05 0.00 -1.01 0.00 0.00 64.21 63.56 2hfd n SER 52 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2hfd h ASP 53 N 0.00 -0.95 -0.88 6.43 3.58 -1.85 -3.42 116.42 119.34 2hfd h ASP 53 Ca 0.00 0.12 0.08 0.00 0.42 0.00 0.00 57.03 57.65 2hfd h ASP 53 Cb 0.08 0.38 -0.21 0.00 1.72 0.00 0.00 39.33 41.30 2hfd h ASP 53 CO 0.00 -0.22 -0.27 0.21 -2.88 0.00 0.00 179.24 176.08 2hfd s ASN 54 N -3.87 -1.34 0.00 2.28 2.47 -1.26 -5.05 114.94 108.17 2hfd s ASN 54 Ca -0.08 0.42 -0.03 0.00 0.42 0.00 0.00 52.86 53.60 2hfd s ASN 54 Cb 0.04 1.96 -0.12 0.00 -1.45 0.00 0.00 41.25 41.68 2hfd s ASN 54 CO 0.32 -0.25 2.64 -0.81 -3.72 0.00 0.00 177.10 175.28 2hfd n PRO 55 N 5.40 1.39 -0.03 0.43 -0.04 -1.26 -3.74 135.00 137.15 2hfd n PRO 55 Ca 0.02 -0.43 0.01 0.00 -0.04 0.00 0.00 63.50 63.06 2hfd n PRO 55 Cb 0.53 -1.45 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 2hfd n PRO 55 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2hfd n VAL 56 N 1.97 0.42 0.25 0.52 0.31 -1.26 -4.61 118.33 115.93 2hfd n VAL 56 Ca 0.19 -0.42 0.07 0.00 -0.01 0.00 0.00 64.34 64.16 2hfd n VAL 56 Cb 0.66 -0.22 0.60 0.00 -0.91 0.00 0.00 33.84 33.98 2hfd n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2hfd h MET 57 N 0.00 0.01 -0.26 5.55 -0.00 -2.00 -0.27 114.93 117.96 2hfd h MET 57 Ca -0.17 -0.00 -0.17 0.00 -0.00 0.00 0.00 59.70 59.36 2hfd h MET 57 Cb 1.18 -0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.78 2hfd h MET 57 CO 0.01 0.05 -0.53 0.82 -0.00 0.00 0.00 176.91 177.26 2hfd h ILE 58 N 0.01 1.29 -0.16 -0.10 1.08 -1.89 -2.03 117.51 115.71 2hfd h ILE 58 Ca 0.00 -1.74 -0.11 0.00 -0.39 0.00 0.00 64.86 62.63 2hfd h ILE 58 Cb 0.09 1.66 0.00 0.00 -3.07 0.00 0.00 36.82 35.49 2hfd h ILE 58 CO 0.01 0.56 -0.31 1.23 -0.69 0.00 0.00 178.15 178.94 2hfd h GLY 59 N 0.85 0.54 2.00 5.37 0.00 -1.36 -2.77 103.07 107.70 2hfd h GLY 59 Ca 0.02 -0.64 -0.12 0.00 0.00 0.00 0.00 47.33 46.59 2hfd h GLY 59 CO 0.11 0.57 -0.55 1.05 0.00 0.00 0.00 176.54 177.72 2hfd h GLU 60 N 0.12 0.00 -0.37 4.80 4.11 -1.38 -2.40 114.58 119.47 2hfd h GLU 60 Ca 0.01 -0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.42 2hfd h GLU 60 Cb 0.91 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 2hfd h GLU 60 CO 0.07 0.56 0.16 1.25 0.07 0.00 0.00 179.01 181.12 2hfd h LEU 61 N 0.00 0.49 -1.07 3.06 5.85 -1.29 -1.24 115.31 121.11 2hfd h LEU 61 Ca -0.01 -0.14 -0.10 0.00 0.84 0.00 0.00 57.88 58.47 2hfd h LEU 61 Cb 0.98 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 2hfd h LEU 61 CO 0.07 0.50 -0.46 -0.07 -0.34 0.00 0.00 178.44 178.14 2hfd h LEU 62 N 0.45 0.00 -0.11 2.25 4.07 -1.38 -2.32 115.31 118.27 2hfd h LEU 62 Ca 0.12 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.08 2hfd h LEU 62 Cb 0.15 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.89 2hfd h LEU 62 CO -0.01 0.46 0.00 0.54 -1.08 0.00 0.00 178.44 178.35 2hfd n ARG 63 N -3.98 0.11 0.16 1.13 5.12 -0.91 -2.14 116.66 116.15 2hfd n ARG 63 Ca -0.02 0.17 0.03 0.00 -1.93 0.00 0.00 57.85 56.11 2hfd n ARG 63 Cb 0.48 -1.65 0.22 0.00 -1.16 0.00 0.00 32.46 30.36 2hfd n ARG 63 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 2hfd h GLU 64 N 0.00 0.00 -2.04 5.56 4.57 -0.65 -3.36 114.58 118.66 2hfd h GLU 64 Ca 0.00 0.00 -0.56 0.00 -1.18 0.00 0.00 59.36 57.62 2hfd h GLU 64 Cb 0.50 0.00 -0.38 0.00 -0.16 0.00 0.00 28.75 28.71 2hfd h GLU 64 CO 0.00 0.47 -1.06 0.34 -1.18 0.00 0.00 179.01 177.58 2hfd n PHE 65 N -3.48 -0.61 0.66 0.92 7.35 -0.91 -4.94 117.46 116.45 2hfd n PHE 65 Ca 0.00 -3.44 0.10 0.00 -0.76 0.00 0.00 57.45 53.35 2hfd n PHE 65 Cb 0.60 -0.14 0.27 0.00 0.35 0.00 0.00 39.48 40.56 2hfd n PHE 65 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 2hfd n PRO 66 N 1.79 2.10 0.27 -7.13 -0.04 -1.00 -4.21 135.00 126.78 2hfd n PRO 66 Ca 0.23 -1.69 0.15 0.00 -0.04 0.00 0.00 63.50 62.15 2hfd n PRO 66 Cb 0.52 -1.42 0.70 0.00 -0.04 0.00 0.00 33.50 33.25 2hfd n PRO 66 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2hfd h ASP 67 N 3.09 0.00 -3.32 3.54 3.58 -1.92 -3.40 116.42 117.98 2hfd h ASP 67 Ca 0.00 0.00 -0.66 0.00 0.42 0.00 0.00 57.03 56.79 2hfd h ASP 67 Cb 0.69 0.00 -0.29 0.00 1.72 0.00 0.00 39.33 41.45 2hfd h ASP 67 CO 0.00 0.09 -0.80 -0.47 -2.88 0.00 0.00 179.24 175.17 2hfd s TYR 68 N -3.83 2.73 -0.31 0.28 5.04 -1.26 -5.07 117.35 114.93 2hfd s TYR 68 Ca -0.01 -0.78 -0.28 0.00 -2.44 0.00 0.00 57.07 53.56 2hfd s TYR 68 Cb 0.11 -1.80 -0.02 0.00 0.35 0.00 0.00 41.96 40.59 2hfd s TYR 68 CO 0.56 -0.29 1.87 0.95 -1.34 0.00 0.00 175.55 177.31 2hfd s THR 69 N 0.36 3.39 0.03 4.34 -4.23 -1.26 -4.97 115.64 113.30 2hfd s THR 69 Ca -0.13 0.40 -0.25 0.00 -1.18 0.00 0.00 61.69 60.53 2hfd s THR 69 Cb -0.17 -3.53 -0.05 0.00 1.34 0.00 0.00 72.50 70.09 2hfd s THR 69 CO 0.07 -0.34 0.76 0.26 -0.54 0.00 0.00 174.62 174.82 2hfd s TRP 70 N 7.14 3.71 -0.59 3.99 0.52 -1.26 -4.84 118.94 127.61 2hfd s TRP 70 Ca 0.83 1.44 -0.21 0.00 0.02 0.00 0.00 56.10 58.18 2hfd s TRP 70 Cb -0.24 -2.82 0.07 0.00 -1.15 0.00 0.00 33.47 29.33 2hfd s TRP 70 CO 0.34 0.24 0.82 -0.65 0.02 0.00 0.00 176.95 177.72 2hfd s GLN 71 N 0.09 3.13 -0.37 4.98 1.11 -0.30 -4.93 119.66 123.37 2hfd s GLN 71 Ca 0.39 -0.88 -0.17 0.00 0.01 0.00 0.00 55.36 54.71 2hfd s GLN 71 Cb -0.20 -4.18 -0.00 0.00 -1.01 0.00 0.00 33.01 27.62 2hfd s GLN 71 CO 0.22 -1.56 0.43 0.08 0.01 0.00 0.00 175.29 174.47 2hfd s VAL 72 N 3.37 5.10 -0.05 1.09 1.01 -1.26 -0.97 120.40 128.69 2hfd s VAL 72 Ca 0.19 0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.26 2hfd s VAL 72 Cb -0.19 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 2hfd s VAL 72 CO 0.11 -0.22 -0.22 0.00 0.00 0.00 0.00 175.10 174.76 2hfd s ALA 73 N 2.17 1.94 0.07 5.51 0.00 -0.07 -3.45 121.76 127.94 2hfd s ALA 73 Ca 0.14 -0.93 0.06 0.00 0.00 0.00 0.00 51.96 51.23 2hfd s ALA 73 Cb -0.16 -0.61 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 2hfd s ALA 73 CO 0.13 0.38 -0.17 0.96 0.00 0.00 0.00 175.76 177.05 2hfd s ILE 74 N -0.12 1.37 0.38 0.00 -4.36 -0.26 -3.27 121.20 114.94 2hfd s ILE 74 Ca -0.03 -1.31 0.05 0.00 -0.26 0.00 0.00 60.65 59.10 2hfd s ILE 74 Cb -0.13 -1.26 -0.06 0.00 1.25 0.00 0.00 42.46 42.26 2hfd s ILE 74 CO 0.03 -0.08 0.04 0.00 0.24 0.00 0.00 174.94 175.17 2hfd s ALA 75 N -1.10 2.87 0.87 2.27 0.00 -1.26 -2.36 121.76 123.06 2hfd s ALA 75 Ca 0.03 -2.00 -0.11 0.00 0.00 0.00 0.00 51.96 49.88 2hfd s ALA 75 Cb -0.09 0.41 0.12 0.00 0.00 0.00 0.00 23.12 23.55 2hfd s ALA 75 CO 0.03 -0.21 1.10 0.34 0.00 0.00 0.00 175.76 177.02 2hfd s ASP 76 N -3.62 3.54 0.01 0.00 2.15 -1.26 -4.84 116.67 112.65 2hfd s ASP 76 Ca 0.33 1.83 -0.25 0.00 0.43 0.00 0.00 52.55 54.88 2hfd s ASP 76 Cb 0.08 -2.43 -0.16 0.00 -0.30 0.00 0.00 42.92 40.11 2hfd s ASP 76 CO 0.16 -2.65 1.18 0.25 -0.17 0.00 0.00 175.17 173.94 2hfd h LEU 77 N -1.55 -0.45 -0.81 -1.34 5.85 -1.98 0.89 115.31 115.92 2hfd h LEU 77 Ca -0.46 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.08 2hfd h LEU 77 Cb 1.26 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 2hfd h LEU 77 CO 0.49 -0.08 -0.25 -0.33 -0.34 0.00 0.00 178.44 177.94 2hfd h GLU 78 N -0.87 0.00 -0.28 1.25 5.08 -1.97 -1.56 114.58 116.23 2hfd h GLU 78 Ca -0.05 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 2hfd h GLU 78 Cb 0.55 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2hfd h GLU 78 CO 0.09 0.25 -0.07 0.37 -1.00 0.00 0.00 179.01 178.65 2hfd h GLN 79 N 0.00 0.45 -0.77 2.33 4.15 -1.90 -2.71 115.11 116.66 2hfd h GLN 79 Ca -0.00 -0.11 -0.05 0.00 0.77 0.00 0.00 58.65 59.26 2hfd h GLN 79 Cb 0.88 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.48 2hfd h GLN 79 CO 0.03 0.54 0.27 0.77 -1.93 0.00 0.00 178.83 178.51 2hfd h SER 80 N 0.43 1.10 -0.91 -0.69 0.02 0.23 0.41 113.55 114.14 2hfd h SER 80 Ca 0.09 -0.19 0.11 0.00 -0.84 0.00 0.00 61.79 60.95 2hfd h SER 80 Cb 0.39 -0.29 -0.07 0.00 0.14 0.00 0.00 62.40 62.57 2hfd h SER 80 CO 0.02 1.00 0.59 -0.33 -1.14 0.00 0.00 176.83 176.96 2hfd h GLU 81 N 1.14 0.85 -0.12 3.45 3.07 -1.34 0.38 114.58 122.01 2hfd h GLU 81 Ca 0.25 -0.05 -0.14 0.00 -0.50 0.00 0.00 59.36 58.92 2hfd h GLU 81 Cb 0.27 -0.19 0.01 0.00 -0.84 0.00 0.00 28.75 27.99 2hfd h GLU 81 CO -0.01 0.56 -0.49 0.00 -1.40 0.00 0.00 179.01 177.67 2hfd h ALA 82 N 1.56 0.22 -0.43 3.43 0.00 -1.11 -0.44 119.26 122.50 2hfd h ALA 82 Ca 0.44 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2hfd h ALA 82 Cb 0.47 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2hfd h ALA 82 CO -0.20 0.39 0.15 0.82 0.00 0.00 0.00 179.25 180.41 2hfd h ILE 83 N 0.15 1.21 -0.46 0.00 2.04 -0.38 -0.11 117.51 119.97 2hfd h ILE 83 Ca -0.03 -0.69 -0.04 0.00 1.00 0.00 0.00 64.86 65.11 2hfd h ILE 83 Cb 1.12 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 2hfd h ILE 83 CO 0.10 0.25 0.14 1.23 0.00 0.00 0.00 178.15 179.87 2hfd h GLY 84 N 0.55 0.77 0.78 5.37 0.00 -0.30 -2.40 103.07 107.83 2hfd h GLY 84 Ca 0.14 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 47.03 2hfd h GLY 84 CO -0.01 0.43 0.01 -1.80 0.00 0.00 0.00 176.54 175.17 2hfd h ASP 85 N 0.60 -0.04 0.28 0.19 3.58 -0.81 0.20 116.42 120.43 2hfd h ASP 85 Ca 0.15 0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.60 2hfd h ASP 85 Cb 0.28 0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.38 2hfd h ASP 85 CO -0.00 0.00 -0.12 -0.09 -2.88 0.00 0.00 179.24 176.15 2hfd h ARG 86 N 0.07 0.00 -0.01 0.28 2.43 -0.92 -2.34 114.38 113.89 2hfd h ARG 86 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2hfd h ARG 86 Cb 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2hfd h ARG 86 CO -0.12 0.12 -0.41 0.34 -1.51 0.00 0.00 179.97 178.39 2hfd n PHE 87 N -3.82 0.00 -2.93 2.20 7.35 -0.90 -4.98 117.46 114.39 2hfd n PHE 87 Ca -0.02 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.54 2hfd n PHE 87 Cb 0.22 0.00 0.03 0.00 0.35 0.00 0.00 39.48 40.08 2hfd n PHE 87 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2hfd n GLY 88 N 1.27 0.12 0.00 7.13 0.00 0.47 -4.92 105.19 109.26 2hfd n GLY 88 Ca 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2hfd n GLY 88 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2hfd n VAL 89 N -3.86 0.00 -1.89 1.61 0.31 0.09 -5.03 118.33 109.56 2hfd n VAL 89 Ca -0.02 -0.24 -0.43 0.00 -0.01 0.00 0.00 64.34 63.64 2hfd n VAL 89 Cb 0.54 0.75 -0.03 0.00 -0.91 0.00 0.00 33.84 34.19 2hfd n VAL 89 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 2hfd s PHE 90 N -1.31 1.69 0.00 3.52 5.36 -0.98 -4.24 117.98 122.02 2hfd s PHE 90 Ca 0.00 0.35 0.00 0.00 -0.96 0.00 0.00 56.93 56.32 2hfd s PHE 90 Cb 0.00 -4.03 0.00 0.00 -0.34 0.00 0.00 43.02 38.65 2hfd s PHE 90 CO 0.00 -3.74 0.00 -2.13 -1.46 0.00 0.00 175.22 167.89 2hfd n ARG 91 N 7.97 0.00 -3.86 10.12 3.00 -1.26 -4.88 116.66 127.74 2hfd n ARG 91 Ca 0.22 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.96 2hfd n ARG 91 Cb 0.44 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.79 2hfd n ARG 91 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.63 177.04 2hfd s PHE 92 N -0.54 -0.01 0.26 -0.14 -0.71 -1.26 -5.09 117.98 110.49 2hfd s PHE 92 Ca 0.00 0.03 -0.29 0.00 -1.04 0.00 0.00 56.93 55.62 2hfd s PHE 92 Cb 0.00 -0.02 -0.09 0.00 -1.21 0.00 0.00 43.02 41.69 2hfd s PHE 92 CO 0.00 -0.19 1.21 -2.14 -1.34 0.00 0.00 175.22 172.76 2hfd s PRO 93 N -0.79 4.49 0.17 1.99 0.02 -1.26 -4.95 135.00 134.67 2hfd s PRO 93 Ca -0.09 1.97 -0.23 0.00 0.02 0.00 0.00 61.00 62.67 2hfd s PRO 93 Cb -0.05 -3.17 0.06 0.00 0.02 0.00 0.00 34.50 31.36 2hfd s PRO 93 CO 0.01 -0.03 0.68 0.00 -0.33 0.00 0.00 177.00 177.33 2hfd s ALA 94 N -0.74 -1.54 -0.37 -1.55 0.00 -0.96 -4.64 121.76 111.96 2hfd s ALA 94 Ca 0.49 0.34 -0.16 0.00 0.00 0.00 0.00 51.96 52.63 2hfd s ALA 94 Cb -0.35 0.81 -0.00 0.00 0.00 0.00 0.00 23.12 23.58 2hfd s ALA 94 CO 0.43 -0.84 0.40 0.99 0.00 0.00 0.00 175.76 176.74 2hfd s THR 95 N -3.69 5.13 -0.15 0.00 2.01 0.15 -0.71 115.64 118.39 2hfd s THR 95 Ca 0.05 -0.05 -0.16 0.00 0.31 0.00 0.00 61.69 61.84 2hfd s THR 95 Cb -0.02 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 2hfd s THR 95 CO -0.07 -0.21 0.36 -0.76 -0.69 0.00 0.00 174.62 173.25 2hfd s LEU 96 N 2.09 4.25 -0.06 4.42 1.43 0.10 0.07 118.68 130.99 2hfd s LEU 96 Ca 0.13 0.62 0.06 0.00 -1.03 0.00 0.00 54.13 53.90 2hfd s LEU 96 Cb -0.17 -2.50 -0.01 0.00 0.03 0.00 0.00 46.19 43.54 2hfd s LEU 96 CO 0.12 0.06 -0.23 0.54 0.23 0.00 0.00 176.35 177.07 2hfd s VAL 97 N 0.54 2.26 -0.19 -1.59 0.11 -0.62 -0.56 120.40 120.34 2hfd s VAL 97 Ca 0.20 -1.00 -0.05 0.00 -2.93 0.00 0.00 61.98 58.21 2hfd s VAL 97 Cb -0.14 -1.83 -0.02 0.00 -1.53 0.00 0.00 36.38 32.86 2hfd s VAL 97 CO 0.06 0.57 -0.01 -0.36 -3.33 0.00 0.00 175.10 172.04 2hfd s PHE 98 N -0.24 3.03 -0.23 1.54 0.08 -0.09 -2.62 117.98 119.46 2hfd s PHE 98 Ca -0.01 -0.44 -0.08 0.00 0.12 0.00 0.00 56.93 56.52 2hfd s PHE 98 Cb -0.13 -2.06 -0.04 0.00 -0.57 0.00 0.00 43.02 40.22 2hfd s PHE 98 CO 0.03 -0.21 0.09 0.95 -0.10 0.00 0.00 175.22 175.98 2hfd s THR 99 N 0.89 4.67 -0.22 0.64 -4.23 0.13 -3.07 115.64 114.46 2hfd s THR 99 Ca 0.01 -0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.46 2hfd s THR 99 Cb -0.14 -3.17 0.00 0.00 1.34 0.00 0.00 72.50 70.53 2hfd s THR 99 CO 0.02 0.36 0.00 0.61 -0.54 0.00 0.00 174.62 175.07 2hfd n GLY 100 N 4.47 0.41 0.89 3.99 0.00 -1.26 -1.47 105.19 112.22 2hfd n GLY 100 Ca -0.16 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2hfd n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hfd n GLY 101 N -0.92 0.99 3.87 -0.02 0.00 -1.26 -4.71 105.19 103.13 2hfd n GLY 101 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2hfd n GLY 101 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2hfd s ASN 102 N -2.51 6.61 -0.43 1.61 0.02 -0.54 -4.81 114.94 114.89 2hfd s ASN 102 Ca 0.00 0.73 -0.29 0.00 -1.02 0.00 0.00 52.86 52.28 2hfd s ASN 102 Cb 0.00 -2.16 0.02 0.00 0.02 0.00 0.00 41.25 39.13 2hfd s ASN 102 CO 0.00 0.24 1.23 -0.47 0.02 0.00 0.00 177.10 178.12 2hfd s TYR 103 N -1.29 2.71 0.00 2.20 5.04 -1.26 -0.69 117.35 124.05 2hfd s TYR 103 Ca 0.29 0.76 0.00 0.00 -2.44 0.00 0.00 57.07 55.67 2hfd s TYR 103 Cb -0.14 -4.29 0.00 0.00 0.35 0.00 0.00 41.96 37.88 2hfd s TYR 103 CO 0.16 -1.49 0.00 -2.13 -1.34 0.00 0.00 175.55 170.75 2hfd n ARG 104 N 7.78 5.36 -4.42 4.97 3.00 -1.24 -4.99 116.66 127.13 2hfd n ARG 104 Ca 0.14 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.69 2hfd n ARG 104 Cb 0.48 -0.48 -0.13 0.00 0.00 0.00 0.00 32.46 32.34 2hfd n ARG 104 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2hfd s GLY 105 N -0.07 1.60 -0.08 5.14 0.00 -1.08 -5.06 107.32 107.79 2hfd s GLY 105 Ca 0.00 -1.40 -0.05 0.00 0.00 0.00 0.00 44.72 43.27 2hfd s GLY 105 CO 0.00 -1.37 0.19 0.54 0.00 0.00 0.00 173.10 172.46 2hfd s VAL 106 N -1.06 -0.02 -0.22 1.40 0.11 -1.26 -1.59 120.40 117.75 2hfd s VAL 106 Ca 0.15 0.09 -0.02 0.00 -2.93 0.00 0.00 61.98 59.27 2hfd s VAL 106 Cb -0.10 -0.28 0.01 0.00 -1.53 0.00 0.00 36.38 34.48 2hfd s VAL 106 CO 0.07 0.04 -0.09 -0.76 -3.33 0.00 0.00 175.10 171.03 2hfd s LEU 107 N 0.69 2.87 -0.20 2.54 1.43 0.11 -4.98 118.68 121.14 2hfd s LEU 107 Ca -0.05 -0.68 0.01 0.00 -1.03 0.00 0.00 54.13 52.38 2hfd s LEU 107 Cb -0.06 -1.65 0.02 0.00 0.03 0.00 0.00 46.19 44.53 2hfd s LEU 107 CO -0.04 -0.07 -0.15 0.54 0.23 0.00 0.00 176.35 176.86 2hfd s ASN 108 N 1.36 3.58 0.00 2.29 4.22 -1.26 0.32 114.94 125.45 2hfd s ASN 108 Ca 0.03 -0.76 0.00 0.00 -2.14 0.00 0.00 52.86 49.99 2hfd s ASN 108 Cb -0.15 -1.54 0.00 0.00 1.28 0.00 0.00 41.25 40.84 2hfd s ASN 108 CO -0.06 -0.05 0.00 0.61 -2.04 0.00 0.00 177.10 175.56 2hfd n GLY 109 N 4.61 -1.81 0.12 0.45 0.00 -1.26 -4.76 105.19 102.54 2hfd n GLY 109 Ca -0.19 -1.86 -0.22 0.00 0.00 0.00 0.00 46.02 43.75 2hfd n GLY 109 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2hfd n ILE 110 N 0.00 1.52 -0.93 -0.61 2.08 -1.26 -5.01 119.36 115.15 2hfd n ILE 110 Ca 0.00 -0.18 0.11 0.00 0.56 0.00 0.00 62.75 63.25 2hfd n ILE 110 Cb 0.00 -2.06 -0.06 0.00 -0.75 0.00 0.00 39.64 36.77 2hfd n ILE 110 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 2hfd n HIS 111 N -4.34 -2.51 -1.77 1.39 8.25 -1.26 -4.76 115.22 110.21 2hfd n HIS 111 Ca -0.39 1.39 -0.41 0.00 -0.26 0.00 0.00 57.72 58.05 2hfd n HIS 111 Cb 0.74 -2.28 -0.01 0.00 1.12 0.00 0.00 29.99 29.56 2hfd n HIS 111 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2hfd s PRO 112 N -3.86 4.11 0.20 -0.41 0.04 -1.26 -4.82 135.00 129.01 2hfd s PRO 112 Ca 0.00 2.59 -0.10 0.00 0.04 0.00 0.00 61.00 63.53 2hfd s PRO 112 Cb 0.00 -3.00 0.25 0.00 0.04 0.00 0.00 34.50 31.80 2hfd s PRO 112 CO 0.00 -0.61 1.76 2.35 0.04 0.00 0.00 177.00 180.54 2hfd h TRP 113 N 4.21 0.46 -0.48 0.56 -0.00 -1.99 0.12 115.95 118.81 2hfd h TRP 113 Ca -0.48 0.03 0.02 0.00 -0.00 0.00 0.00 58.89 58.46 2hfd h TRP 113 Cb 1.23 -0.11 -0.03 0.00 -0.00 0.00 0.00 29.16 30.25 2hfd h TRP 113 CO 0.57 0.15 0.32 0.00 -0.00 0.00 0.00 178.44 179.48 2hfd h ALA 114 N 1.39 1.74 0.06 2.65 0.00 -1.98 -1.60 119.26 121.52 2hfd h ALA 114 Ca 0.29 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.92 2hfd h ALA 114 Cb 0.32 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.96 2hfd h ALA 114 CO -0.26 0.21 -1.09 1.49 0.00 0.00 0.00 179.25 179.60 2hfd h GLU 115 N 0.58 0.47 -0.38 0.00 4.22 -1.26 -2.76 114.58 115.45 2hfd h GLU 115 Ca 0.19 -0.58 -0.03 0.00 0.08 0.00 0.00 59.36 59.02 2hfd h GLU 115 Cb 0.05 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2hfd h GLU 115 CO -0.05 1.22 0.12 1.25 -2.18 0.00 0.00 179.01 179.38 2hfd h LEU 116 N 0.23 0.55 -0.97 1.64 7.12 -0.28 -0.12 115.31 123.48 2hfd h LEU 116 Ca -0.13 -0.20 -0.02 0.00 0.13 0.00 0.00 57.88 57.66 2hfd h LEU 116 Cb 1.76 -0.14 -0.04 0.00 -0.53 0.00 0.00 40.66 41.71 2hfd h LEU 116 CO 0.20 0.61 0.40 0.40 -0.13 0.00 0.00 178.44 179.92 2hfd h ILE 117 N 0.47 1.24 -0.06 4.05 2.04 -1.38 -1.31 117.51 122.56 2hfd h ILE 117 Ca 0.12 -0.66 0.02 0.00 1.00 0.00 0.00 64.86 65.35 2hfd h ILE 117 Cb 0.25 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 2hfd h ILE 117 CO -0.00 0.28 -0.04 -1.13 0.00 0.00 0.00 178.15 177.26 2hfd h ASN 118 N 1.13 -0.13 -0.53 1.72 -1.24 -1.11 -1.48 115.58 113.94 2hfd h ASN 118 Ca 0.28 0.03 0.05 0.00 0.71 0.00 0.00 56.30 57.37 2hfd h ASN 118 Cb 0.08 0.07 -0.05 0.00 0.73 0.00 0.00 38.32 39.15 2hfd h ASN 118 CO -0.04 -0.06 0.26 -0.07 -1.29 0.00 0.00 177.43 176.23 2hfd h LEU 119 N -0.04 0.36 -0.33 0.34 3.38 -0.69 -0.92 115.31 117.41 2hfd h LEU 119 Ca 0.04 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.07 2hfd h LEU 119 Cb 0.10 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2hfd h LEU 119 CO -0.09 0.25 0.14 -0.03 0.09 0.00 0.00 178.44 178.79 2hfd h MET 120 N 0.50 0.28 -0.20 1.13 4.05 -0.80 0.21 114.93 120.11 2hfd h MET 120 Ca 0.24 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.59 2hfd h MET 120 Cb 0.16 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.89 2hfd h MET 120 CO -0.18 0.19 -0.09 0.00 0.23 0.00 0.00 176.91 177.06 2hfd h ARG 121 N 0.29 0.32 -0.05 0.39 3.08 -0.99 0.21 114.38 117.64 2hfd h ARG 121 Ca 0.14 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.03 2hfd h ARG 121 Cb 0.09 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2hfd h ARG 121 CO -0.13 0.42 -0.38 0.78 -1.07 0.00 0.00 179.97 179.59 2hfd h GLY 122 N 0.75 0.11 1.01 0.04 0.00 -0.07 0.15 103.07 105.06 2hfd h GLY 122 Ca 0.06 -0.09 -0.35 0.00 0.00 0.00 0.00 47.33 46.96 2hfd h GLY 122 CO 0.02 0.08 -1.69 1.41 0.00 0.00 0.00 176.54 176.37 2hfd h LEU 123 N 0.08 0.64 0.00 3.11 3.38 0.10 -3.33 115.31 119.29 2hfd h LEU 123 Ca 0.01 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.09 2hfd h LEU 123 Cb 0.72 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2hfd h LEU 123 CO 0.05 1.74 -0.22 -0.37 0.09 0.00 0.00 178.44 179.74 2hfd h VAL 124 N 0.11 0.00 -0.47 1.22 -1.51 -0.66 -3.35 116.25 111.60 2hfd h VAL 124 Ca -0.32 -0.55 0.07 0.00 -1.23 0.00 0.00 66.70 64.67 2hfd h VAL 124 Cb 2.11 1.41 -0.09 0.00 -2.13 0.00 0.00 31.29 32.59 2hfd h VAL 124 CO 0.19 0.00 -0.49 -0.08 -1.23 0.00 0.00 177.57 175.96 2hfd h GLU 125 N 0.00 -0.32 -6.95 5.19 4.57 -1.07 -3.43 114.58 112.57 2hfd h GLU 125 Ca 0.00 0.02 -0.49 0.00 -1.18 0.00 0.00 59.36 57.72 2hfd h GLU 125 Cb 0.78 0.07 0.02 0.00 -0.16 0.00 0.00 28.75 29.46 2hfd h GLU 125 CO 0.00 -0.21 0.42 -2.14 -1.18 0.00 0.00 179.01 175.90 2hfd s PRO 126 N -5.75 4.18 0.09 0.92 0.02 -1.26 -4.97 135.00 128.24 2hfd s PRO 126 Ca -0.14 1.55 -0.13 0.00 0.02 0.00 0.00 61.00 62.30 2hfd s PRO 126 Cb 0.11 -2.59 -0.18 0.00 0.02 0.00 0.00 34.50 31.86 2hfd s PRO 126 CO 0.64 -0.14 1.26 -0.56 -0.33 0.00 0.00 177.00 177.87 2hfd h GLN 127 N 2.58 0.75 -3.65 5.54 -0.00 -1.93 -3.48 115.11 114.91 2hfd h GLN 127 Ca -0.48 -0.68 0.00 0.00 -0.00 0.00 0.00 58.65 57.48 2hfd h GLN 127 Cb 1.22 0.17 0.00 0.00 -0.00 0.00 0.00 27.48 28.86 2hfd h GLN 127 CO 0.63 1.28 -0.77 1.04 -0.00 0.00 0.00 178.83 181.00 2hfd n GLN 128 N -3.90 -4.51 -2.65 0.06 1.13 -1.26 -4.28 117.38 101.98 2hfd n GLN 128 Ca -0.09 3.28 -0.30 0.00 -1.94 0.00 0.00 57.00 57.95 2hfd n GLN 128 Cb 0.80 -3.45 -0.02 0.00 0.11 0.00 0.00 30.24 27.68 2hfd n GLN 128 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2hfd s GLU 129 N -1.30 3.75 -0.12 -1.09 8.01 -1.26 -4.73 118.70 121.96 2hfd s GLU 129 Ca 0.00 0.54 -0.29 0.00 0.01 0.00 0.00 54.97 55.22 2hfd s GLU 129 Cb 0.00 -2.32 -0.03 0.00 -4.31 0.00 0.00 34.13 27.47 2hfd s GLU 129 CO 0.00 -0.15 1.42 1.03 0.01 0.00 0.00 175.26 177.57 2hfd s ARG 130 N -4.15 4.20 0.07 1.61 3.00 -1.26 -4.97 118.95 117.45 2hfd s ARG 130 Ca 0.52 1.87 -0.01 0.00 0.00 0.00 0.00 55.73 58.11 2hfd s ARG 130 Cb -0.10 -3.86 -0.04 0.00 0.00 0.00 0.00 34.95 30.95 2hfd s ARG 130 CO 0.36 -0.78 -0.00 0.00 0.00 0.00 0.00 175.30 174.88 2hfd s ALA 131 N 3.76 0.55 -1.06 2.13 0.00 -1.26 -5.19 121.76 120.69 2hfd s ALA 131 Ca 0.62 -1.24 0.08 0.00 0.00 0.00 0.00 51.96 51.43 2hfd s ALA 131 Cb -0.26 0.41 0.07 0.00 0.00 0.00 0.00 23.12 23.33 2hfd s ALA 131 CO 0.21 -0.40 0.77 0.45 0.00 0.00 0.00 175.76 176.78