#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hfd s SER 2 N 0.00 6.78 0.07 6.12 0.01 -1.26 -4.70 113.70 120.72 2hfd s SER 2 Ca 0.00 -2.29 0.03 0.00 1.31 0.00 0.00 55.95 55.00 2hfd s SER 2 Cb 0.00 -2.50 -0.03 0.00 0.21 0.00 0.00 66.02 63.70 2hfd s SER 2 CO 0.00 -1.12 -0.10 0.20 0.41 0.00 0.00 173.24 172.63 2hfd s ASN 3 N 3.93 1.25 -1.21 2.44 -0.87 -1.26 -5.07 114.94 114.14 2hfd s ASN 3 Ca 0.45 -0.67 -0.19 0.00 -1.57 0.00 0.00 52.86 50.89 2hfd s ASN 3 Cb -0.00 0.01 0.08 0.00 -0.02 0.00 0.00 41.25 41.32 2hfd s ASN 3 CO -0.01 -0.20 1.61 -1.81 -2.57 0.00 0.00 177.10 174.11 2hfd s ASP 4 N -1.95 6.79 0.06 -1.22 1.11 -1.26 -3.77 116.67 116.42 2hfd s ASP 4 Ca -0.02 -2.29 0.00 0.00 0.18 0.00 0.00 52.55 50.41 2hfd s ASP 4 Cb -0.07 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.37 2hfd s ASP 4 CO 0.00 -1.18 0.00 0.41 1.18 0.00 0.00 175.17 175.58 2hfd n THR 5 N 6.23 0.00 0.17 -1.27 -1.04 -1.26 -4.98 114.28 112.14 2hfd n THR 5 Ca 0.43 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.31 2hfd n THR 5 Cb 0.47 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.90 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 -0.45 -0.61 -2.82 0.11 -1.90 -0.99 132.00 125.34 2hfd h PRO 6 Ca 0.00 0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.11 2hfd h PRO 6 Cb 0.00 0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.18 2hfd h PRO 6 CO 0.00 -0.13 0.25 0.35 -0.21 0.00 0.00 178.00 178.26 2hfd h PHE 7 N -0.83 0.88 0.37 0.65 3.57 -1.84 0.14 116.94 119.87 2hfd h PHE 7 Ca -0.05 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.39 2hfd h PHE 7 Cb 0.53 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.00 2hfd h PHE 7 CO 0.02 0.67 -0.18 0.22 -2.23 0.00 0.00 178.31 176.82 2hfd h ASP 8 N 0.87 -0.42 -0.79 0.41 3.58 -1.80 -1.61 116.42 116.66 2hfd h ASP 8 Ca 0.21 -0.10 0.03 0.00 0.42 0.00 0.00 57.03 57.58 2hfd h ASP 8 Cb 0.15 0.11 -0.05 0.00 1.72 0.00 0.00 39.33 41.26 2hfd h ASP 8 CO -0.02 -0.13 0.51 0.00 -2.88 0.00 0.00 179.24 176.72 2hfd h ALA 9 N -0.17 1.04 0.44 -0.78 0.00 -1.00 -1.07 119.26 117.73 2hfd h ALA 9 Ca -0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2hfd h ALA 9 Cb 0.49 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2hfd h ALA 9 CO 0.08 0.33 -0.37 -0.07 0.00 0.00 0.00 179.25 179.23 2hfd h LEU 10 N 1.00 -0.97 -0.76 0.00 -0.00 -0.62 -0.86 115.31 113.10 2hfd h LEU 10 Ca 0.31 0.07 -0.11 0.00 -0.00 0.00 0.00 57.88 58.16 2hfd h LEU 10 Cb -0.00 0.31 -0.01 0.00 -0.00 0.00 0.00 40.66 40.96 2hfd h LEU 10 CO -0.11 -0.53 -0.24 -0.25 -0.00 0.00 0.00 178.44 177.31 2hfd h TRP 11 N -0.81 0.77 -0.63 1.13 2.91 -1.12 -1.20 115.95 117.01 2hfd h TRP 11 Ca -0.04 -0.17 0.06 0.00 1.13 0.00 0.00 58.89 59.86 2hfd h TRP 11 Cb 0.70 -0.19 -0.05 0.00 -0.51 0.00 0.00 29.16 29.11 2hfd h TRP 11 CO -0.17 0.86 0.34 1.96 -1.03 0.00 0.00 178.44 180.40 2hfd h GLN 12 N 0.60 0.62 0.30 2.65 1.08 -1.04 0.44 115.11 119.76 2hfd h GLN 12 Ca 0.08 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 2hfd h GLN 12 Cb 0.72 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 2hfd h GLN 12 CO 0.06 0.41 -0.14 0.00 -0.95 0.00 0.00 178.83 178.20 2hfd h ARG 13 N 0.64 -0.39 -0.66 1.46 3.08 -0.63 -2.13 114.38 115.76 2hfd h ARG 13 Ca 0.28 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.35 2hfd h ARG 13 Cb 0.17 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 2hfd h ARG 13 CO -0.18 -0.14 0.39 0.52 -1.07 0.00 0.00 179.97 179.49 2hfd h MET 14 N -0.58 0.89 -0.01 0.04 2.86 -0.98 -2.22 114.93 114.93 2hfd h MET 14 Ca -0.04 -0.08 -0.11 0.00 -2.06 0.00 0.00 59.70 57.41 2hfd h MET 14 Cb 0.42 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 2hfd h MET 14 CO 0.07 0.63 -0.50 1.25 1.06 0.00 0.00 176.91 179.41 2hfd h LEU 15 N 0.91 0.04 -2.33 1.22 7.12 -0.05 -2.89 115.31 119.32 2hfd h LEU 15 Ca 0.24 -0.02 0.01 0.00 0.13 0.00 0.00 57.88 58.24 2hfd h LEU 15 Cb -0.03 -0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 40.09 2hfd h LEU 15 CO -0.04 0.54 0.05 0.00 -0.13 0.00 0.00 178.44 178.85 2hfd h ALA 16 N 1.47 1.68 0.00 1.25 0.00 -0.73 0.11 119.26 123.04 2hfd h ALA 16 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2hfd h ALA 16 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2hfd h ALA 16 CO 0.07 -0.08 0.00 0.54 0.00 0.00 0.00 179.25 179.78 2hfd n ARG 17 N -3.96 0.02 -2.48 0.00 5.12 -1.09 -4.90 116.66 109.37 2hfd n ARG 17 Ca -0.02 0.15 -0.01 0.00 -1.93 0.00 0.00 57.85 56.04 2hfd n ARG 17 Cb 0.15 -1.53 0.01 0.00 -1.16 0.00 0.00 32.46 29.92 2hfd n ARG 17 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hfd n GLY 18 N 0.67 0.77 3.47 -0.13 0.00 0.38 -5.07 105.19 105.28 2hfd n GLY 18 Ca 0.05 -0.59 -0.21 0.00 0.00 0.00 0.00 46.02 45.27 2hfd n GLY 18 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2hfd n TRP 19 N -2.39 -3.13 -4.09 1.61 8.01 -1.26 -5.10 117.44 111.10 2hfd n TRP 19 Ca -0.00 -1.50 -0.34 0.00 -1.31 0.00 0.00 57.50 54.35 2hfd n TRP 19 Cb 0.51 -0.69 -0.15 0.00 -2.01 0.00 0.00 31.31 28.96 2hfd n TRP 19 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 2hfd s THR 20 N -2.86 2.47 -0.14 -0.99 2.01 -1.19 -5.00 115.64 109.93 2hfd s THR 20 Ca 0.60 -0.80 -0.29 0.00 0.31 0.00 0.00 61.69 61.51 2hfd s THR 20 Cb -0.03 -2.07 -0.02 0.00 0.01 0.00 0.00 72.50 70.40 2hfd s THR 20 CO 0.40 0.51 1.22 -2.84 -0.69 0.00 0.00 174.62 173.22 2hfd s PRO 21 N 1.31 4.27 0.02 4.92 0.02 -1.26 -1.44 135.00 142.85 2hfd s PRO 21 Ca 0.05 1.63 0.08 0.00 0.02 0.00 0.00 61.00 62.77 2hfd s PRO 21 Cb -0.14 -3.70 -0.03 0.00 0.02 0.00 0.00 34.50 30.66 2hfd s PRO 21 CO -0.09 -0.62 -0.22 0.54 -0.33 0.00 0.00 177.00 176.27 2hfd s VAL 22 N 3.11 2.47 0.39 3.83 0.11 0.51 -4.91 120.40 125.91 2hfd s VAL 22 Ca 0.54 -1.20 0.02 0.00 -2.93 0.00 0.00 61.98 58.41 2hfd s VAL 22 Cb -0.22 -1.98 -0.01 0.00 -1.53 0.00 0.00 36.38 32.64 2hfd s VAL 22 CO 0.16 0.41 0.58 -0.94 -3.33 0.00 0.00 175.10 171.99 2hfd s SER 23 N -1.16 6.00 0.43 3.54 1.04 -1.26 -4.44 113.70 117.86 2hfd s SER 23 Ca 0.12 0.22 -0.24 0.00 0.48 0.00 0.00 55.95 56.53 2hfd s SER 23 Cb -0.10 -1.61 -0.08 0.00 0.10 0.00 0.00 66.02 64.32 2hfd s SER 23 CO 0.03 -0.51 1.21 -1.83 0.98 0.00 0.00 173.24 173.12 2hfd s GLU 24 N -4.39 3.86 0.00 4.02 4.04 -1.26 -1.73 118.70 123.25 2hfd s GLU 24 Ca 0.45 1.92 0.00 0.00 0.04 0.00 0.00 54.97 57.38 2hfd s GLU 24 Cb -0.10 -2.57 0.00 0.00 0.02 0.00 0.00 34.13 31.48 2hfd s GLU 24 CO 0.36 -0.50 0.00 0.43 -1.84 0.00 0.00 175.26 173.70 2hfd n SER 25 N -0.19 0.00 -0.04 0.83 7.64 -1.26 -4.61 113.62 115.99 2hfd n SER 25 Ca 0.06 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.98 2hfd n SER 25 Cb 0.46 -0.35 -0.16 0.00 -1.01 0.00 0.00 64.21 63.16 2hfd n SER 25 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2hfd n ARG 26 N -1.98 0.71 -0.23 1.43 5.12 -0.97 -4.44 116.66 116.30 2hfd n ARG 26 Ca 0.00 -0.13 0.03 0.00 -1.93 0.00 0.00 57.85 55.82 2hfd n ARG 26 Cb 0.00 -1.49 0.14 0.00 -1.16 0.00 0.00 32.46 29.95 2hfd n ARG 26 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2hfd h LEU 27 N 0.00 -0.18 -0.02 0.55 7.12 -1.59 0.14 115.31 121.33 2hfd h LEU 27 Ca -0.16 0.16 -0.01 0.00 0.13 0.00 0.00 57.88 57.99 2hfd h LEU 27 Cb 1.33 0.25 0.00 0.00 -0.53 0.00 0.00 40.66 41.71 2hfd h LEU 27 CO 0.01 -0.10 -0.03 -0.78 -0.13 0.00 0.00 178.44 177.41 2hfd h ASP 28 N 0.17 0.06 -0.34 1.25 3.58 -1.89 0.17 116.42 119.42 2hfd h ASP 28 Ca 0.37 -0.56 0.05 0.00 0.42 0.00 0.00 57.03 57.31 2hfd h ASP 28 Cb 0.61 -0.02 -0.05 0.00 1.72 0.00 0.00 39.33 41.60 2hfd h ASP 28 CO -0.54 0.60 0.05 -0.78 -2.88 0.00 0.00 179.24 175.69 2hfd h ASP 29 N -0.48 -0.03 -0.78 2.28 3.58 -1.73 -0.33 116.42 118.93 2hfd h ASP 29 Ca 0.00 0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.52 2hfd h ASP 29 Cb 0.59 0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.70 2hfd h ASP 29 CO 0.01 0.02 0.51 -0.25 -2.88 0.00 0.00 179.24 176.65 2hfd h TRP 30 N 0.16 0.97 0.00 0.28 2.91 -0.70 -2.63 115.95 116.95 2hfd h TRP 30 Ca 0.16 0.02 -0.10 0.00 1.13 0.00 0.00 58.89 60.10 2hfd h TRP 30 Cb 0.19 -0.33 -0.01 0.00 -0.51 0.00 0.00 29.16 28.50 2hfd h TRP 30 CO -0.20 0.61 -0.48 1.25 -1.03 0.00 0.00 178.44 178.59 2hfd h LEU 31 N 1.05 0.00 0.00 0.65 5.85 0.03 0.36 115.31 123.25 2hfd h LEU 31 Ca 0.29 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.88 2hfd h LEU 31 Cb -0.11 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 2hfd h LEU 31 CO -0.07 0.48 -0.66 0.00 -0.34 0.00 0.00 178.44 177.86 2hfd h THR 32 N 0.00 1.02 0.11 1.05 1.03 -0.88 -3.33 112.91 111.92 2hfd h THR 32 Ca -0.00 -2.46 -0.35 0.00 -0.01 0.00 0.00 66.41 63.59 2hfd h THR 32 Cb 0.93 2.49 -0.02 0.00 -1.07 0.00 0.00 68.15 70.48 2hfd h THR 32 CO 0.06 0.58 -1.92 1.56 -0.01 0.00 0.00 175.52 175.79 2hfd h GLN 33 N 0.00 0.24 -4.61 0.00 4.20 -1.22 -3.43 115.11 110.29 2hfd h GLN 33 Ca -0.02 -0.41 -0.71 0.00 0.06 0.00 0.00 58.65 57.57 2hfd h GLN 33 Cb 1.48 0.15 -0.20 0.00 0.30 0.00 0.00 27.48 29.21 2hfd h GLN 33 CO 0.08 1.12 -0.22 0.00 -0.67 0.00 0.00 178.83 179.13 2hfd s ALA 34 N -2.57 3.48 -0.02 3.87 0.00 0.12 -5.04 121.76 121.61 2hfd s ALA 34 Ca -0.19 -1.85 -0.30 0.00 0.00 0.00 0.00 51.96 49.62 2hfd s ALA 34 Cb 0.07 -3.12 -0.06 0.00 0.00 0.00 0.00 23.12 20.01 2hfd s ALA 34 CO 0.79 -1.74 1.57 -2.14 0.00 0.00 0.00 175.76 174.24 2hfd s PRO 35 N 2.00 4.21 0.45 0.00 0.02 -1.26 -4.47 135.00 135.95 2hfd s PRO 35 Ca 0.09 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.25 2hfd s PRO 35 Cb -0.21 -3.79 0.00 0.00 0.02 0.00 0.00 34.50 30.52 2hfd s PRO 35 CO 0.10 -0.75 0.00 -0.25 -0.33 0.00 0.00 177.00 175.77 2hfd n ASP 36 N 6.35 -6.05 0.00 2.53 9.92 -1.26 -4.36 116.55 123.68 2hfd n ASP 36 Ca 0.16 1.25 0.00 0.00 -0.53 0.00 0.00 54.79 55.67 2hfd n ASP 36 Cb 0.43 -3.59 0.00 0.00 -0.64 0.00 0.00 41.12 37.31 2hfd n ASP 36 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2hfd n GLY 37 N -3.00 -0.98 3.18 0.44 0.00 -1.25 -0.55 105.19 103.03 2hfd n GLY 37 Ca -0.03 -1.46 -0.14 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.41 0.90 -0.06 1.61 -7.23 -0.80 -2.42 120.40 110.00 2hfd s VAL 38 Ca 0.00 -1.70 0.02 0.00 -1.81 0.00 0.00 61.98 58.49 2hfd s VAL 38 Cb 0.00 -1.42 0.01 0.00 0.56 0.00 0.00 36.38 35.53 2hfd s VAL 38 CO 0.00 -0.62 -0.11 -0.69 -0.31 0.00 0.00 175.10 173.36 2hfd s VAL 39 N -2.68 1.03 -0.26 1.32 1.01 0.25 -0.25 120.40 120.83 2hfd s VAL 39 Ca 0.07 -0.43 -0.12 0.00 0.00 0.00 0.00 61.98 61.50 2hfd s VAL 39 Cb -0.01 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 2hfd s VAL 39 CO -0.01 0.33 0.23 -0.76 0.00 0.00 0.00 175.10 174.89 2hfd s LEU 40 N 0.59 4.07 -0.52 3.92 1.02 -0.97 -0.20 118.68 126.58 2hfd s LEU 40 Ca -0.12 0.14 -0.09 0.00 0.02 0.00 0.00 54.13 54.08 2hfd s LEU 40 Cb -0.14 -2.21 0.13 0.00 0.02 0.00 0.00 46.19 43.99 2hfd s LEU 40 CO 0.03 -0.04 0.40 -0.22 0.02 0.00 0.00 176.35 176.54 2hfd s LEU 41 N 1.54 5.75 0.00 1.79 0.20 0.11 -3.78 118.68 124.28 2hfd s LEU 41 Ca 0.10 -2.10 0.00 0.00 0.69 0.00 0.00 54.13 52.82 2hfd s LEU 41 Cb -0.15 -2.01 0.00 0.00 -0.43 0.00 0.00 46.19 43.60 2hfd s LEU 41 CO 0.08 -0.65 0.00 -1.20 -0.29 0.00 0.00 176.35 174.30 2hfd n SER 42 N 4.66 -5.75 -3.55 3.68 7.64 -1.26 -1.18 113.62 117.85 2hfd n SER 42 Ca -0.04 0.09 -0.27 0.00 1.01 0.00 0.00 58.87 59.66 2hfd n SER 42 Cb 0.41 -0.24 -0.10 0.00 -1.01 0.00 0.00 64.21 63.26 2hfd n SER 42 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2hfd n SER 43 N -2.81 1.38 -2.69 6.43 3.41 -1.26 -4.51 113.62 113.56 2hfd n SER 43 Ca 0.00 -2.85 -0.02 0.00 -0.26 0.00 0.00 58.87 55.74 2hfd n SER 43 Cb 0.04 -0.65 0.03 0.00 -0.26 0.00 0.00 64.21 63.36 2hfd n SER 43 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2hfd s ASP 44 N -0.96 -0.25 0.10 4.04 2.15 -1.26 -4.85 116.67 115.64 2hfd s ASP 44 Ca 0.31 -0.26 0.06 0.00 0.43 0.00 0.00 52.55 53.10 2hfd s ASP 44 Cb 0.04 0.32 -0.22 0.00 -0.30 0.00 0.00 42.92 42.76 2hfd s ASP 44 CO -0.16 -0.01 1.19 -0.65 -0.17 0.00 0.00 175.17 175.37 2hfd h PRO 45 N 4.45 0.03 0.00 4.34 0.11 -1.82 -3.39 132.00 135.73 2hfd h PRO 45 Ca -0.01 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2hfd h PRO 45 Cb 1.18 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2hfd h PRO 45 CO -0.11 0.97 0.00 1.17 -0.21 0.00 0.00 178.00 179.82 2hfd n LYS 46 N -3.34 0.00 0.00 1.05 4.81 -1.26 -4.78 118.16 114.64 2hfd n LYS 46 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 2hfd n LYS 46 Cb 0.96 0.00 0.00 0.00 0.02 0.00 0.00 35.03 36.01 2hfd n LYS 46 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2hfd n ARG 47 N -1.20 0.81 -1.64 1.64 3.00 -1.26 -5.14 116.66 112.86 2hfd n ARG 47 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.85 57.83 2hfd n ARG 47 Cb 0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 32.46 31.75 2hfd n ARG 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 2hfd n THR 48 N -1.52 -5.83 0.63 0.55 -1.04 -1.26 -4.90 114.28 100.91 2hfd n THR 48 Ca 0.00 0.92 0.12 0.00 -2.04 0.00 0.00 64.05 63.04 2hfd n THR 48 Cb 0.21 -4.22 0.46 0.00 -1.82 0.00 0.00 70.33 64.95 2hfd n THR 48 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2hfd n PRO 49 N 0.54 0.13 0.00 -2.82 -0.02 -1.26 -4.76 135.00 126.81 2hfd n PRO 49 Ca -0.07 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 2hfd n PRO 49 Cb 0.11 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 2hfd n PRO 49 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2hfd n GLU 50 N -1.93 0.00 0.07 -0.52 0.00 -1.26 -5.07 120.64 111.93 2hfd n GLU 50 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.21 2hfd n GLU 50 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.74 2hfd n GLU 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2hfd n VAL 51 N 0.00 0.00 0.23 6.31 0.31 -1.26 -4.84 118.33 119.08 2hfd n VAL 51 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.44 2hfd n VAL 51 Cb 0.00 -0.48 -0.01 0.00 -0.91 0.00 0.00 33.84 32.44 2hfd n VAL 51 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2hfd n SER 52 N -2.96 0.63 0.00 4.52 2.88 -1.26 -4.62 113.62 112.82 2hfd n SER 52 Ca 0.00 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 2hfd n SER 52 Cb 0.00 0.77 0.00 0.00 -0.75 0.00 0.00 64.21 64.23 2hfd n SER 52 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2hfd n ASP 53 N -2.39 0.00 -3.18 -3.46 2.03 -1.26 -3.83 116.55 104.46 2hfd n ASP 53 Ca 0.00 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.33 2hfd n ASP 53 Cb 0.52 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.91 2hfd n ASP 53 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2hfd s ASN 54 N -4.00 -1.49 -0.66 1.67 3.84 -1.26 -5.01 114.94 108.03 2hfd s ASN 54 Ca 0.00 -0.51 -0.01 0.00 0.21 0.00 0.00 52.86 52.55 2hfd s ASN 54 Cb 0.00 1.91 0.44 0.00 -0.55 0.00 0.00 41.25 43.04 2hfd s ASN 54 CO 0.00 -0.19 1.94 -0.81 -2.79 0.00 0.00 177.10 175.25 2hfd n PRO 55 N 4.64 2.80 -0.06 0.43 -0.04 -1.25 -4.66 135.00 136.86 2hfd n PRO 55 Ca 0.09 -3.43 -0.08 0.00 -0.04 0.00 0.00 63.50 60.05 2hfd n PRO 55 Cb 0.57 -2.29 -0.03 0.00 -0.04 0.00 0.00 33.50 31.72 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 -0.84 1.43 0.29 0.52 0.31 -1.26 -4.60 118.33 114.19 2hfd n VAL 56 Ca 0.60 0.18 0.16 0.00 -0.01 0.00 0.00 64.34 65.27 2hfd n VAL 56 Cb 0.63 -2.17 0.90 0.00 -0.91 0.00 0.00 33.84 32.29 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 -0.78 0.00 -0.58 5.55 -0.00 -2.00 -2.66 114.93 114.46 2hfd h MET 57 Ca -0.02 0.00 0.10 0.00 -0.00 0.00 0.00 59.70 59.78 2hfd h MET 57 Cb 0.80 0.00 -0.08 0.00 -0.00 0.00 0.00 31.60 32.32 2hfd h MET 57 CO -0.01 0.04 0.14 0.82 -0.00 0.00 0.00 176.91 177.90 2hfd h ILE 58 N 0.00 0.68 -0.33 -0.10 1.08 -1.87 0.32 117.51 117.30 2hfd h ILE 58 Ca -0.00 -0.10 -0.11 0.00 -0.39 0.00 0.00 64.86 64.26 2hfd h ILE 58 Cb 0.14 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 34.25 2hfd h ILE 58 CO 0.01 0.05 -0.26 1.23 -0.69 0.00 0.00 178.15 178.49 2hfd h GLY 59 N 0.28 0.72 2.00 5.37 0.00 -1.75 -2.76 103.07 106.94 2hfd h GLY 59 Ca 0.30 -0.62 -0.15 0.00 0.00 0.00 0.00 47.33 46.86 2hfd h GLY 59 CO -0.37 0.57 -0.70 0.83 0.00 0.00 0.00 176.54 176.87 2hfd h GLU 60 N 0.58 0.00 -0.37 4.80 5.08 -1.52 -3.23 114.58 119.92 2hfd h GLU 60 Ca 0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2hfd h GLU 60 Cb 0.74 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 2hfd h GLU 60 CO 0.06 0.69 0.18 1.25 -1.00 0.00 0.00 179.01 180.20 2hfd h LEU 61 N 0.00 0.48 -2.14 1.33 5.85 -0.16 -2.37 115.31 118.30 2hfd h LEU 61 Ca -0.01 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.67 2hfd h LEU 61 Cb 1.54 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.43 2hfd h LEU 61 CO 0.09 0.47 0.24 -0.07 -0.34 0.00 0.00 178.44 178.82 2hfd h LEU 62 N 0.46 0.00 -2.28 2.25 4.07 -1.51 -1.73 115.31 116.57 2hfd h LEU 62 Ca 0.13 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.09 2hfd h LEU 62 Cb 0.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.85 2hfd h LEU 62 CO -0.02 0.00 0.00 0.03 -1.08 0.00 0.00 178.44 177.37 2hfd h ARG 63 N 0.00 0.00 0.00 1.13 2.47 -1.49 -1.30 114.38 115.19 2hfd h ARG 63 Ca 0.12 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.84 2hfd h ARG 63 Cb 0.59 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.91 2hfd h ARG 63 CO -0.00 0.00 0.00 -0.85 0.56 0.00 0.00 179.97 179.68 2hfd n GLU 64 N -2.72 0.11 -3.39 0.04 0.28 -0.65 -3.57 120.64 110.74 2hfd n GLU 64 Ca -0.02 0.08 -0.26 0.00 -0.16 0.00 0.00 57.16 56.79 2hfd n GLU 64 Cb 0.06 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.35 2hfd n GLU 64 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2hfd n PHE 65 N -1.43 2.49 0.74 -1.84 3.72 -0.49 -4.89 117.46 115.76 2hfd n PHE 65 Ca 0.08 -3.99 0.05 0.00 -0.05 0.00 0.00 57.45 53.53 2hfd n PHE 65 Cb 0.26 -0.49 0.16 0.00 -0.94 0.00 0.00 39.48 38.46 2hfd n PHE 65 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2hfd n PRO 66 N 1.09 2.01 0.23 -1.08 -0.04 -1.23 -3.97 135.00 132.00 2hfd n PRO 66 Ca 0.27 -1.29 0.09 0.00 -0.04 0.00 0.00 63.50 62.53 2hfd n PRO 66 Cb 0.44 -1.39 0.55 0.00 -0.04 0.00 0.00 33.50 33.07 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 2.00 0.00 -0.33 3.54 1.82 -1.92 -3.45 116.42 118.07 2hfd h ASP 67 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2hfd h ASP 67 Cb 0.61 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.62 2hfd h ASP 67 CO 0.05 0.22 0.00 0.00 -1.61 0.00 0.00 179.24 177.89 2hfd n TYR 68 N -3.66 0.00 -4.71 0.28 9.36 -1.25 -5.15 117.16 112.03 2hfd n TYR 68 Ca -0.01 0.00 -0.33 0.00 3.32 0.00 0.00 57.90 60.87 2hfd n TYR 68 Cb 0.34 0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 38.94 2hfd n TYR 68 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 2hfd s THR 69 N 0.18 3.50 -0.41 2.97 -4.23 -1.26 -5.08 115.64 111.30 2hfd s THR 69 Ca 0.00 -0.56 0.03 0.00 -1.18 0.00 0.00 61.69 59.98 2hfd s THR 69 Cb 0.00 -2.41 0.11 0.00 1.34 0.00 0.00 72.50 71.54 2hfd s THR 69 CO 0.00 0.59 0.15 0.26 -0.54 0.00 0.00 174.62 175.08 2hfd s TRP 70 N -0.79 3.20 -0.47 3.99 0.52 -1.26 -4.31 118.94 119.82 2hfd s TRP 70 Ca 0.12 -2.89 -0.26 0.00 0.02 0.00 0.00 56.10 53.09 2hfd s TRP 70 Cb -0.11 -2.68 0.03 0.00 -1.15 0.00 0.00 33.47 29.56 2hfd s TRP 70 CO 0.01 -0.85 0.96 -0.65 0.02 0.00 0.00 176.95 176.44 2hfd s GLN 71 N 0.50 3.55 -0.37 4.98 1.11 0.28 -4.83 119.66 124.89 2hfd s GLN 71 Ca 0.14 0.21 -0.23 0.00 0.01 0.00 0.00 55.36 55.49 2hfd s GLN 71 Cb -0.22 -3.93 0.01 0.00 -1.01 0.00 0.00 33.01 27.86 2hfd s GLN 71 CO -0.06 -1.26 0.75 0.08 0.01 0.00 0.00 175.29 174.81 2hfd s VAL 72 N 3.88 4.76 -0.09 1.09 1.01 -1.26 -1.90 120.40 127.90 2hfd s VAL 72 Ca 0.39 0.79 0.00 0.00 0.00 0.00 0.00 61.98 63.16 2hfd s VAL 72 Cb -0.10 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 2hfd s VAL 72 CO 0.27 -0.42 -0.07 0.00 0.00 0.00 0.00 175.10 174.88 2hfd s ALA 73 N 3.02 2.94 0.07 5.51 0.00 0.66 -3.19 121.76 130.78 2hfd s ALA 73 Ca 0.30 -0.88 0.09 0.00 0.00 0.00 0.00 51.96 51.46 2hfd s ALA 73 Cb -0.13 -1.27 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 2hfd s ALA 73 CO 0.17 0.49 -0.23 0.96 0.00 0.00 0.00 175.76 177.14 2hfd s ILE 74 N -0.52 1.91 0.19 0.00 -4.36 -0.52 -2.30 121.20 115.59 2hfd s ILE 74 Ca 0.08 -1.43 0.06 0.00 -0.26 0.00 0.00 60.65 59.10 2hfd s ILE 74 Cb -0.12 -1.67 -0.05 0.00 1.25 0.00 0.00 42.46 41.87 2hfd s ILE 74 CO 0.02 0.16 -0.11 0.00 0.24 0.00 0.00 174.94 175.25 2hfd s ALA 75 N -0.93 1.81 0.76 2.27 0.00 -1.25 -0.36 121.76 124.06 2hfd s ALA 75 Ca 0.10 -1.62 -0.11 0.00 0.00 0.00 0.00 51.96 50.32 2hfd s ALA 75 Cb -0.10 0.03 0.05 0.00 0.00 0.00 0.00 23.12 23.10 2hfd s ALA 75 CO 0.03 -0.03 1.10 0.34 0.00 0.00 0.00 175.76 177.20 2hfd s ASP 76 N -3.27 4.84 0.18 0.00 -1.08 -1.26 -4.71 116.67 111.38 2hfd s ASP 76 Ca 0.21 1.23 -0.13 0.00 -0.52 0.00 0.00 52.55 53.34 2hfd s ASP 76 Cb 0.01 -1.98 0.10 0.00 -1.46 0.00 0.00 42.92 39.60 2hfd s ASP 76 CO 0.05 -1.74 1.83 -0.07 0.52 0.00 0.00 175.17 175.77 2hfd h LEU 77 N -0.93 0.61 -0.76 -1.34 3.38 -1.99 0.28 115.31 114.56 2hfd h LEU 77 Ca -0.46 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.39 2hfd h LEU 77 Cb 1.26 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 2hfd h LEU 77 CO 0.61 0.43 -0.27 -0.33 0.09 0.00 0.00 178.44 178.97 2hfd h GLU 78 N 0.72 0.64 -0.02 1.13 5.08 -2.02 -2.84 114.58 117.28 2hfd h GLU 78 Ca 0.22 -0.27 -0.14 0.00 -1.00 0.00 0.00 59.36 58.17 2hfd h GLU 78 Cb -0.03 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2hfd h GLU 78 CO -0.07 0.85 -0.65 1.96 -1.00 0.00 0.00 179.01 180.10 2hfd h GLN 79 N 0.56 0.10 -0.61 2.33 4.20 -1.77 -3.21 115.11 116.69 2hfd h GLN 79 Ca 0.07 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.71 2hfd h GLN 79 Cb 0.75 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.52 2hfd h GLN 79 CO 0.06 0.71 0.40 0.77 -0.67 0.00 0.00 178.83 180.11 2hfd h SER 80 N 0.07 0.71 -0.69 1.46 0.02 -0.21 0.81 113.55 115.72 2hfd h SER 80 Ca -0.01 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 2hfd h SER 80 Cb 1.16 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.49 2hfd h SER 80 CO 0.09 0.52 0.23 -0.33 -1.14 0.00 0.00 176.83 176.20 2hfd h GLU 81 N 0.83 1.06 0.04 3.45 4.39 -1.55 -2.06 114.58 120.74 2hfd h GLU 81 Ca 0.22 -0.22 -0.24 0.00 0.34 0.00 0.00 59.36 59.47 2hfd h GLU 81 Cb -0.09 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.40 2hfd h GLU 81 CO -0.05 0.91 -1.03 0.00 -1.16 0.00 0.00 179.01 177.68 2hfd h ALA 82 N 1.10 0.30 -0.06 3.43 0.00 -1.49 -1.96 119.26 120.58 2hfd h ALA 82 Ca 0.22 -0.77 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 2hfd h ALA 82 Cb 0.28 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2hfd h ALA 82 CO -0.01 0.87 0.02 0.82 0.00 0.00 0.00 179.25 180.96 2hfd h ILE 83 N 0.17 1.15 -0.33 0.00 2.04 -0.77 -1.57 117.51 118.21 2hfd h ILE 83 Ca -0.09 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 2hfd h ILE 83 Cb 1.69 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 39.11 2hfd h ILE 83 CO 0.17 0.13 0.14 1.23 0.00 0.00 0.00 178.15 179.82 2hfd h GLY 84 N -0.07 0.52 0.28 5.37 0.00 -1.43 -0.97 103.07 106.78 2hfd h GLY 84 Ca 0.02 -0.28 0.05 0.00 0.00 0.00 0.00 47.33 47.12 2hfd h GLY 84 CO -0.00 0.26 -0.24 -1.80 0.00 0.00 0.00 176.54 174.77 2hfd h ASP 85 N 0.39 -0.74 1.06 0.19 3.58 -1.28 0.41 116.42 120.03 2hfd h ASP 85 Ca 0.11 0.12 -0.06 0.00 0.42 0.00 0.00 57.03 57.63 2hfd h ASP 85 Cb 0.17 0.33 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 2hfd h ASP 85 CO -0.01 -0.28 -0.26 0.03 -2.88 0.00 0.00 179.24 175.83 2hfd h ARG 86 N -0.29 0.00 0.00 0.28 3.08 -1.23 -3.31 114.38 112.91 2hfd h ARG 86 Ca 0.11 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.09 2hfd h ARG 86 Cb 0.45 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 2hfd h ARG 86 CO -0.31 0.26 -0.50 0.35 -1.07 0.00 0.00 179.97 178.70 2hfd h PHE 87 N 0.00 0.00 0.00 3.04 3.04 -0.55 -3.50 116.94 118.97 2hfd h PHE 87 Ca -0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2hfd h PHE 87 Cb 0.87 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.38 2hfd h PHE 87 CO 0.00 0.69 0.00 0.41 -2.02 0.00 0.00 178.31 177.39 2hfd n GLY 88 N 1.60 0.91 2.78 2.40 0.00 0.14 -5.09 105.19 107.93 2hfd n GLY 88 Ca -0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 2hfd n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hfd s VAL 89 N -1.37 2.09 0.00 1.61 1.01 -1.18 -5.00 120.40 117.56 2hfd s VAL 89 Ca 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 61.98 58.50 2hfd s VAL 89 Cb 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.98 2hfd s VAL 89 CO 0.00 -0.99 0.00 0.49 0.00 0.00 0.00 175.10 174.60 2hfd n PHE 90 N 2.63 0.00 -0.18 5.22 3.72 -1.26 -4.22 117.46 123.37 2hfd n PHE 90 Ca 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.57 2hfd n PHE 90 Cb 0.37 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.91 2hfd n PHE 90 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 2hfd n ARG 91 N 0.00 0.00 -3.00 -1.08 1.85 -1.26 -5.06 116.66 108.11 2hfd n ARG 91 Ca 0.00 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.45 2hfd n ARG 91 Cb 0.00 -0.50 -0.05 0.00 -1.05 0.00 0.00 32.46 30.86 2hfd n ARG 91 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2hfd s PHE 92 N -2.39 3.75 0.21 2.89 0.40 -1.26 -5.00 117.98 116.59 2hfd s PHE 92 Ca 0.00 1.47 -0.30 0.00 -0.60 0.00 0.00 56.93 57.50 2hfd s PHE 92 Cb 0.00 -2.80 -0.09 0.00 0.51 0.00 0.00 43.02 40.64 2hfd s PHE 92 CO 0.00 0.31 1.39 -2.14 0.70 0.00 0.00 175.22 175.48 2hfd s PRO 93 N -0.21 4.32 0.00 0.24 0.02 -1.26 -4.94 135.00 133.17 2hfd s PRO 93 Ca 0.38 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.58 2hfd s PRO 93 Cb -0.21 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 31.16 2hfd s PRO 93 CO 0.23 -0.36 0.00 0.00 -0.33 0.00 0.00 177.00 176.54 2hfd n ALA 94 N 2.65 0.00 -2.53 -1.55 0.00 -0.33 -3.27 120.51 115.48 2hfd n ALA 94 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.10 2hfd n ALA 94 Cb 0.41 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.77 2hfd n ALA 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2hfd s THR 95 N -3.00 5.17 -0.19 0.00 2.01 -0.86 -0.72 115.64 118.06 2hfd s THR 95 Ca 0.00 -0.10 -0.14 0.00 0.31 0.00 0.00 61.69 61.76 2hfd s THR 95 Cb 0.00 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 2hfd s THR 95 CO 0.00 -0.16 0.33 -0.76 -0.69 0.00 0.00 174.62 173.33 2hfd s LEU 96 N 1.99 4.19 -0.20 4.42 1.43 0.72 -0.41 118.68 130.82 2hfd s LEU 96 Ca 0.11 0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 53.63 2hfd s LEU 96 Cb -0.17 -2.41 -0.02 0.00 0.03 0.00 0.00 46.19 43.62 2hfd s LEU 96 CO 0.12 0.02 -0.01 0.54 0.23 0.00 0.00 176.35 177.24 2hfd s VAL 97 N 0.89 3.81 0.43 -1.59 0.11 -0.91 -0.58 120.40 122.56 2hfd s VAL 97 Ca 0.17 -0.36 0.02 0.00 -2.93 0.00 0.00 61.98 58.88 2hfd s VAL 97 Cb -0.14 -2.72 -0.01 0.00 -1.53 0.00 0.00 36.38 31.98 2hfd s VAL 97 CO 0.06 0.43 0.06 0.49 -3.33 0.00 0.00 175.10 172.81 2hfd n PHE 98 N 4.30 0.64 -3.89 1.54 3.72 -1.02 -1.60 117.46 121.16 2hfd n PHE 98 Ca -0.17 -2.37 0.00 0.00 -0.05 0.00 0.00 57.45 54.85 2hfd n PHE 98 Cb 0.52 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 2hfd n PHE 98 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2hfd n THR 99 N -1.02 0.00 -0.61 4.37 -2.24 -0.06 -3.85 114.28 110.88 2hfd n THR 99 Ca -0.13 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.58 2hfd n THR 99 Cb 0.58 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.71 2hfd n THR 99 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hfd n GLY 100 N 3.03 2.22 0.00 3.38 0.00 -1.26 -3.83 105.19 108.72 2hfd n GLY 100 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 2.63 3.43 3.98 -0.02 0.00 -1.26 -4.83 105.19 109.12 2hfd n GLY 101 Ca 0.25 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 5.23 -0.06 1.61 0.01 -1.25 -5.11 114.94 115.37 2hfd s ASN 102 Ca 0.00 -0.11 0.06 0.00 -0.71 0.00 0.00 52.86 52.09 2hfd s ASN 102 Cb 0.00 -0.74 -0.01 0.00 0.41 0.00 0.00 41.25 40.91 2hfd s ASN 102 CO 0.00 -1.17 -0.24 -0.47 -1.51 0.00 0.00 177.10 173.70 2hfd s TYR 103 N -2.75 2.39 -0.12 2.20 5.04 -1.26 -0.88 117.35 121.98 2hfd s TYR 103 Ca 0.58 -0.73 -0.13 0.00 -2.44 0.00 0.00 57.07 54.35 2hfd s TYR 103 Cb -0.10 -1.57 -0.05 0.00 0.35 0.00 0.00 41.96 40.59 2hfd s TYR 103 CO 0.38 -0.23 -0.26 0.54 -1.34 0.00 0.00 175.55 174.64 2hfd n ARG 104 N 3.00 0.40 -3.09 4.97 5.12 -0.63 -4.96 116.66 121.47 2hfd n ARG 104 Ca -0.18 0.16 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 2hfd n ARG 104 Cb 0.52 -1.20 0.00 0.00 -1.16 0.00 0.00 32.46 30.62 2hfd n ARG 104 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hfd n GLY 105 N 1.95 -0.64 2.98 -0.13 0.00 -1.21 -5.01 105.19 103.13 2hfd n GLY 105 Ca -0.14 -0.66 -0.20 0.00 0.00 0.00 0.00 46.02 45.02 2hfd n GLY 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hfd s VAL 106 N -3.00 0.74 -0.20 1.61 0.11 -1.26 -2.15 120.40 116.25 2hfd s VAL 106 Ca 0.00 -0.31 -0.09 0.00 -2.93 0.00 0.00 61.98 58.65 2hfd s VAL 106 Cb 0.00 -0.68 -0.05 0.00 -1.53 0.00 0.00 36.38 34.13 2hfd s VAL 106 CO 0.00 0.24 0.11 -0.76 -3.33 0.00 0.00 175.10 171.36 2hfd s LEU 107 N 0.36 4.03 -0.02 2.54 1.43 0.45 -4.97 118.68 122.51 2hfd s LEU 107 Ca -0.06 0.14 0.13 0.00 -1.03 0.00 0.00 54.13 53.31 2hfd s LEU 107 Cb -0.10 -2.04 0.39 0.00 0.03 0.00 0.00 46.19 44.47 2hfd s LEU 107 CO 0.01 0.15 1.31 0.59 0.23 0.00 0.00 176.35 178.64 2hfd n ASN 108 N 3.69 2.48 0.00 2.29 4.13 -1.26 -2.03 115.26 124.56 2hfd n ASN 108 Ca -0.16 -2.06 0.00 0.00 1.68 0.00 0.00 54.58 54.04 2hfd n ASN 108 Cb 0.52 -0.33 0.00 0.00 -1.54 0.00 0.00 39.78 38.43 2hfd n ASN 108 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2hfd n GLY 109 N 1.09 0.77 7.00 7.41 0.00 -1.26 -4.30 105.19 115.90 2hfd n GLY 109 Ca 0.15 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 -0.53 -0.61 2.08 -1.26 -5.03 119.36 114.00 2hfd n ILE 110 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2hfd n ILE 110 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 39.64 38.89 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 -1.56 -1.46 -1.24 1.39 8.25 -1.26 -4.84 115.22 114.51 2hfd n HIS 111 Ca 0.00 0.79 -0.29 0.00 -0.26 0.00 0.00 57.72 57.96 2hfd n HIS 111 Cb 0.00 -1.54 0.15 0.00 1.12 0.00 0.00 29.99 29.71 2hfd n HIS 111 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 2hfd s PRO 112 N -4.44 1.01 0.24 -0.41 0.02 -1.26 -4.75 135.00 125.41 2hfd s PRO 112 Ca 0.00 0.67 -0.04 0.00 0.02 0.00 0.00 61.00 61.64 2hfd s PRO 112 Cb 0.00 -1.79 0.42 0.00 0.02 0.00 0.00 34.50 33.15 2hfd s PRO 112 CO 0.00 -2.37 1.78 2.35 -0.33 0.00 0.00 177.00 178.43 2hfd h TRP 113 N -1.64 0.73 -0.78 6.54 -0.00 -1.99 0.10 115.95 118.91 2hfd h TRP 113 Ca -0.51 0.03 0.03 0.00 -0.00 0.00 0.00 58.89 58.44 2hfd h TRP 113 Cb 1.30 -0.21 -0.04 0.00 -0.00 0.00 0.00 29.16 30.21 2hfd h TRP 113 CO 0.37 0.24 0.52 0.00 -0.00 0.00 0.00 178.44 179.56 2hfd h ALA 114 N 1.48 1.51 0.00 2.65 0.00 -2.00 -1.36 119.26 121.54 2hfd h ALA 114 Ca 0.40 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.14 2hfd h ALA 114 Cb 0.47 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2hfd h ALA 114 CO -0.30 0.42 -0.69 0.93 0.00 0.00 0.00 179.25 179.60 2hfd h GLU 115 N 0.98 0.00 -0.44 0.00 4.39 -1.54 -2.91 114.58 115.06 2hfd h GLU 115 Ca 0.31 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.95 2hfd h GLU 115 Cb 0.01 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 2hfd h GLU 115 CO -0.08 0.56 0.07 1.25 -1.16 0.00 0.00 179.01 179.64 2hfd h LEU 116 N 0.00 0.70 -0.78 1.33 7.12 0.10 -0.51 115.31 123.26 2hfd h LEU 116 Ca -0.03 -0.26 0.03 0.00 0.13 0.00 0.00 57.88 57.75 2hfd h LEU 116 Cb 1.47 -0.19 -0.05 0.00 -0.53 0.00 0.00 40.66 41.37 2hfd h LEU 116 CO 0.07 0.78 0.50 0.40 -0.13 0.00 0.00 178.44 180.07 2hfd h ILE 117 N 0.59 1.13 -0.07 4.05 2.04 -1.33 -1.78 117.51 122.14 2hfd h ILE 117 Ca 0.13 -0.34 0.04 0.00 1.00 0.00 0.00 64.86 65.69 2hfd h ILE 117 Cb 0.38 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.47 2hfd h ILE 117 CO 0.01 0.18 -0.19 -1.13 0.00 0.00 0.00 178.15 177.01 2hfd h ASN 118 N 0.98 -0.59 -0.39 1.72 -0.73 -1.22 -0.40 115.58 114.96 2hfd h ASN 118 Ca 0.31 0.09 -0.01 0.00 1.87 0.00 0.00 56.30 58.56 2hfd h ASN 118 Cb -0.00 0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.83 2hfd h ASN 118 CO -0.11 -0.25 0.19 -0.07 -0.37 0.00 0.00 177.43 176.82 2hfd h LEU 119 N -0.28 0.52 -0.34 0.34 3.38 -0.86 0.89 115.31 118.96 2hfd h LEU 119 Ca 0.08 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 57.96 2hfd h LEU 119 Cb 0.39 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 2hfd h LEU 119 CO -0.23 0.50 0.12 -0.03 0.09 0.00 0.00 178.44 178.88 2hfd h MET 120 N 0.50 0.25 -0.48 1.13 4.05 -1.07 -1.68 114.93 117.64 2hfd h MET 120 Ca 0.14 -0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 59.45 2hfd h MET 120 Cb 0.12 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.84 2hfd h MET 120 CO -0.02 0.17 -0.08 -0.09 0.23 0.00 0.00 176.91 177.13 2hfd h ARG 121 N 0.26 0.84 -0.06 0.39 2.43 -0.83 0.65 114.38 118.07 2hfd h ARG 121 Ca 0.15 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 2hfd h ARG 121 Cb 0.12 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2hfd h ARG 121 CO -0.16 0.89 -0.02 0.78 -1.51 0.00 0.00 179.97 179.96 2hfd h GLY 122 N 0.98 0.09 0.50 2.80 0.00 -0.26 0.24 103.07 107.42 2hfd h GLY 122 Ca 0.13 -0.04 -0.33 0.00 0.00 0.00 0.00 47.33 47.09 2hfd h GLY 122 CO 0.03 0.04 -1.77 1.41 0.00 0.00 0.00 176.54 176.25 2hfd h LEU 123 N 0.09 0.34 -0.59 3.11 3.38 -0.79 -3.38 115.31 117.47 2hfd h LEU 123 Ca 0.02 -0.85 -0.15 0.00 0.09 0.00 0.00 57.88 56.99 2hfd h LEU 123 Cb 0.09 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2hfd h LEU 123 CO 0.00 1.76 -0.69 -0.37 0.09 0.00 0.00 178.44 179.23 2hfd h VAL 124 N -0.19 1.47 -3.68 1.22 -1.51 -0.80 -3.41 116.25 109.35 2hfd h VAL 124 Ca -0.39 -2.31 -0.69 0.00 -1.23 0.00 0.00 66.70 62.08 2hfd h VAL 124 Cb 1.86 2.24 -0.30 0.00 -2.13 0.00 0.00 31.29 32.96 2hfd h VAL 124 CO 0.03 0.67 -0.62 -0.70 -1.23 0.00 0.00 177.57 175.72 2hfd s GLU 125 N -3.49 2.56 -0.30 5.19 2.56 0.83 -5.05 118.70 121.00 2hfd s GLU 125 Ca -0.02 -1.23 -0.28 0.00 0.00 0.00 0.00 54.97 53.44 2hfd s GLU 125 Cb 0.12 -3.42 -0.04 0.00 2.00 0.00 0.00 34.13 32.79 2hfd s GLU 125 CO 0.79 -0.68 2.05 -1.25 -0.56 0.00 0.00 175.26 175.60 2hfd s PRO 126 N 1.37 3.11 -0.01 4.30 0.04 -1.26 -4.50 135.00 138.03 2hfd s PRO 126 Ca -0.02 1.67 0.20 0.00 0.04 0.00 0.00 61.00 62.89 2hfd s PRO 126 Cb -0.20 -4.32 -0.26 0.00 0.04 0.00 0.00 34.50 29.77 2hfd s PRO 126 CO 0.02 -2.13 0.64 1.04 0.04 0.00 0.00 177.00 176.61 2hfd n GLN 127 N 8.67 0.62 -3.39 4.56 6.02 -1.26 -4.85 117.38 127.75 2hfd n GLN 127 Ca 0.27 -0.09 -0.06 0.00 -0.01 0.00 0.00 57.00 57.12 2hfd n GLN 127 Cb 0.47 -1.44 -0.07 0.00 1.02 0.00 0.00 30.24 30.22 2hfd n GLN 127 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2hfd s GLN 128 N -3.08 0.40 -0.67 -1.09 -2.07 -1.26 -5.11 119.66 106.78 2hfd s GLN 128 Ca 0.00 0.77 -0.27 0.00 -1.82 0.00 0.00 55.36 54.05 2hfd s GLN 128 Cb 0.14 -0.05 0.00 0.00 -1.09 0.00 0.00 33.01 32.01 2hfd s GLN 128 CO 0.81 -0.54 1.57 -1.83 -1.32 0.00 0.00 175.29 173.98 2hfd s GLU 129 N 2.64 2.93 0.14 9.60 -1.05 -1.26 -4.98 118.70 126.71 2hfd s GLU 129 Ca 0.11 0.21 -0.08 0.00 -0.15 0.00 0.00 54.97 55.06 2hfd s GLU 129 Cb -0.14 -4.28 -0.06 0.00 -0.44 0.00 0.00 34.13 29.21 2hfd s GLU 129 CO -0.16 -2.41 0.42 1.03 0.95 0.00 0.00 175.26 175.09 2hfd s ARG 130 N 6.34 3.71 -0.49 -4.83 1.81 -1.26 -5.05 118.95 119.19 2hfd s ARG 130 Ca 0.51 0.09 -0.29 0.00 -1.72 0.00 0.00 55.73 54.32 2hfd s ARG 130 Cb -0.10 -2.85 0.02 0.00 -0.45 0.00 0.00 34.95 31.57 2hfd s ARG 130 CO 0.18 0.47 1.22 0.00 -0.68 0.00 0.00 175.30 176.49 2hfd s ALA 131 N -1.60 3.08 0.00 2.13 0.00 -1.26 -5.18 121.76 118.93 2hfd s ALA 131 Ca 0.40 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.87 2hfd s ALA 131 Cb -0.13 -3.95 0.00 0.00 0.00 0.00 0.00 23.12 19.05 2hfd s ALA 131 CO 0.22 -2.41 0.00 0.43 0.00 0.00 0.00 175.76 173.99