#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fhw s THR 3 N 0.00 -0.22 -0.19 -0.44 -1.32 -1.26 -4.25 115.64 107.96 3fhw s THR 3 Ca 0.00 0.33 -0.03 0.00 -1.21 0.00 0.00 61.69 60.77 3fhw s THR 3 Cb 0.00 -0.28 -0.02 0.00 -1.51 0.00 0.00 72.50 70.69 3fhw s THR 3 CO 0.00 0.14 -0.05 -0.22 -2.21 0.00 0.00 174.62 172.28 3fhw s LEU 4 N 2.10 3.03 -0.18 9.08 2.96 0.46 -4.98 118.68 131.16 3fhw s LEU 4 Ca 0.01 -0.28 -0.06 0.00 -0.22 0.00 0.00 54.13 53.59 3fhw s LEU 4 Cb -0.12 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 3fhw s LEU 4 CO -0.06 0.07 0.02 -1.61 -1.32 0.00 0.00 176.35 173.45 3fhw s GLU 5 N 0.93 3.78 -0.01 1.98 2.02 -1.26 -1.60 118.70 124.52 3fhw s GLU 5 Ca -0.00 -0.45 0.00 0.00 0.02 0.00 0.00 54.97 54.54 3fhw s GLU 5 Cb -0.15 -3.09 0.02 0.00 0.10 0.00 0.00 34.13 31.01 3fhw s GLU 5 CO 0.01 0.17 0.02 -1.17 0.02 0.00 0.00 175.26 174.31 3fhw s LEU 6 N 0.59 1.39 0.01 1.80 2.96 -0.23 -5.01 118.68 120.19 3fhw s LEU 6 Ca 0.00 0.02 -0.23 0.00 -0.22 0.00 0.00 54.13 53.71 3fhw s LEU 6 Cb -0.14 -0.05 -0.05 0.00 0.50 0.00 0.00 46.19 46.45 3fhw s LEU 6 CO 0.02 -0.08 0.69 -0.94 -1.32 0.00 0.00 176.35 174.72 3fhw s SER 7 N 0.71 7.09 0.14 3.68 1.04 -1.26 -0.82 113.70 124.28 3fhw s SER 7 Ca -0.06 1.31 -0.17 0.00 0.48 0.00 0.00 55.95 57.51 3fhw s SER 7 Cb -0.09 -2.42 0.04 0.00 0.10 0.00 0.00 66.02 63.65 3fhw s SER 7 CO -0.02 0.03 0.43 0.00 0.98 0.00 0.00 173.24 174.66 3fhw s ALA 8 N -0.00 -0.96 0.03 5.32 0.00 -1.26 -4.48 121.76 120.40 3fhw s ALA 8 Ca 0.36 -0.04 0.06 0.00 0.00 0.00 0.00 51.96 52.33 3fhw s ALA 8 Cb -0.19 0.73 -0.03 0.00 0.00 0.00 0.00 23.12 23.63 3fhw s ALA 8 CO 0.20 -0.67 -0.14 1.03 0.00 0.00 0.00 175.76 176.18 3fhw s ARG 9 N -3.81 2.26 -0.42 0.00 0.52 0.05 -4.41 118.95 113.13 3fhw s ARG 9 Ca 0.04 -0.88 -0.29 0.00 -0.52 0.00 0.00 55.73 54.08 3fhw s ARG 9 Cb 0.01 -2.30 0.01 0.00 0.52 0.00 0.00 34.95 33.19 3fhw s ARG 9 CO -0.11 0.56 1.42 0.08 0.02 0.00 0.00 175.30 177.28 3fhw s VAL 10 N -0.94 3.89 -0.09 3.52 1.01 -0.30 -1.39 120.40 126.10 3fhw s VAL 10 Ca 0.15 0.90 -0.15 0.00 0.00 0.00 0.00 61.98 62.88 3fhw s VAL 10 Cb -0.11 -4.21 -0.28 0.00 0.00 0.00 0.00 36.38 31.78 3fhw s VAL 10 CO 0.06 -0.78 0.60 -0.07 0.00 0.00 0.00 175.10 174.91 3fhw h LEU 11 N 12.30 0.44 -7.94 3.92 3.38 -1.00 0.26 115.31 126.66 3fhw h LEU 11 Ca -0.28 -0.88 -0.24 0.00 0.09 0.00 0.00 57.88 56.57 3fhw h LEU 11 Cb 1.11 -0.14 -0.24 0.00 0.09 0.00 0.00 40.66 41.47 3fhw h LEU 11 CO 1.09 1.64 -0.73 -1.61 0.09 0.00 0.00 178.44 178.93 3fhw s GLU 12 N -2.50 0.31 -0.15 1.13 2.02 -1.01 -4.85 118.70 113.65 3fhw s GLU 12 Ca -0.19 -0.40 -0.01 0.00 0.02 0.00 0.00 54.97 54.40 3fhw s GLU 12 Cb 0.04 -0.13 0.04 0.00 0.10 0.00 0.00 34.13 34.18 3fhw s GLU 12 CO 0.79 0.02 -0.05 0.00 0.02 0.00 0.00 175.26 176.05 3fhw s GLY 14 N 1.69 1.58 0.00 0.00 0.00 0.40 -4.98 107.32 106.02 3fhw s GLY 14 Ca 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.49 3fhw s GLY 14 CO -0.08 0.32 0.00 0.00 0.00 0.00 0.00 173.10 173.34 3fhw n ALA 15 N -4.07 0.00 -3.37 3.20 0.00 -1.26 -4.75 120.51 110.26 3fhw n ALA 15 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.57 3fhw n ALA 15 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 3fhw n ALA 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3fhw n ARG 17 N 0.00 0.00 -3.91 0.00 1.74 0.12 -4.69 116.66 109.93 3fhw n ARG 17 Ca 0.00 -0.18 -0.10 0.00 -0.77 0.00 0.00 57.85 56.80 3fhw n ARG 17 Cb 0.00 0.36 -0.10 0.00 -1.02 0.00 0.00 32.46 31.70 3fhw n ARG 17 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3fhw s HIS 18 N -2.02 0.14 0.72 -1.55 3.76 -1.26 -0.46 115.29 114.63 3fhw s HIS 18 Ca 0.12 -0.37 -0.11 0.00 -0.15 0.00 0.00 55.06 54.54 3fhw s HIS 18 Cb -0.00 -0.11 0.02 0.00 1.11 0.00 0.00 32.58 33.60 3fhw s HIS 18 CO -0.01 -0.33 1.07 0.95 -0.85 0.00 0.00 174.74 175.56 3fhw s THR 19 N -2.15 3.81 0.60 1.30 -4.23 0.45 -4.81 115.64 110.61 3fhw s THR 19 Ca -0.09 0.59 0.29 0.00 -1.18 0.00 0.00 61.69 61.30 3fhw s THR 19 Cb -0.04 -3.31 0.37 0.00 1.34 0.00 0.00 72.50 70.86 3fhw s THR 19 CO -0.02 -0.77 1.88 -0.65 -0.54 0.00 0.00 174.62 174.52 3fhw h PRO 20 N -0.81 0.00 -0.09 3.99 0.11 -2.02 0.13 132.00 133.31 3fhw h PRO 20 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3fhw h PRO 20 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3fhw h PRO 20 CO 0.57 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.36 3fhw n ALA 21 N -2.29 2.56 -0.46 -0.75 0.00 -1.26 -4.92 120.51 113.39 3fhw n ALA 21 Ca 0.07 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.08 3fhw n ALA 21 Cb 0.66 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.94 3fhw n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fhw n GLY 22 N 1.09 0.76 3.74 0.00 0.00 0.46 -5.07 105.19 106.18 3fhw n GLY 22 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3fhw n GLY 22 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3fhw s LEU 23 N 0.00 4.55 0.24 0.99 2.96 -1.26 -4.78 118.68 121.39 3fhw s LEU 23 Ca 0.00 1.80 -0.30 0.00 -0.22 0.00 0.00 54.13 55.41 3fhw s LEU 23 Cb 0.00 -3.54 -0.15 0.00 0.50 0.00 0.00 46.19 43.01 3fhw s LEU 23 CO 0.00 0.03 1.09 -2.65 -1.32 0.00 0.00 176.35 173.51 3fhw n PRO 24 N 2.31 1.34 -3.82 0.98 -0.02 -1.26 -0.41 135.00 134.11 3fhw n PRO 24 Ca -0.00 0.47 -0.13 0.00 -2.02 0.00 0.00 63.50 61.83 3fhw n PRO 24 Cb 0.49 -1.91 -0.14 0.00 -0.02 0.00 0.00 33.50 31.92 3fhw n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fhw s ALA 25 N -0.67 -0.21 -0.03 3.55 0.00 0.39 -1.27 121.76 123.53 3fhw s ALA 25 Ca 0.64 0.32 -0.01 0.00 0.00 0.00 0.00 51.96 52.92 3fhw s ALA 25 Cb -0.75 -0.20 0.03 0.00 0.00 0.00 0.00 23.12 22.20 3fhw s ALA 25 CO 0.56 -0.06 0.04 -1.17 0.00 0.00 0.00 175.76 175.12 3fhw s LEU 26 N 0.29 0.73 -0.12 0.00 2.96 -0.22 0.16 118.68 122.47 3fhw s LEU 26 Ca -0.02 0.04 -0.12 0.00 -0.22 0.00 0.00 54.13 53.81 3fhw s LEU 26 Cb -0.03 -0.13 -0.05 0.00 0.50 0.00 0.00 46.19 46.48 3fhw s LEU 26 CO -0.01 -0.17 0.25 -1.61 -1.32 0.00 0.00 176.35 173.49 3fhw s GLU 27 N 1.50 3.96 0.08 1.98 2.02 -1.26 -1.26 118.70 125.72 3fhw s GLU 27 Ca -0.04 0.05 0.08 0.00 0.02 0.00 0.00 54.97 55.09 3fhw s GLU 27 Cb -0.13 -3.32 -0.03 0.00 0.10 0.00 0.00 34.13 30.75 3fhw s GLU 27 CO -0.03 0.48 -0.22 -0.51 0.02 0.00 0.00 175.26 175.00 3fhw s LEU 28 N -0.26 2.25 -0.25 1.80 1.02 0.26 -0.45 118.68 123.05 3fhw s LEU 28 Ca 0.16 -0.64 -0.09 0.00 0.02 0.00 0.00 54.13 53.58 3fhw s LEU 28 Cb -0.13 -1.00 -0.04 0.00 0.02 0.00 0.00 46.19 45.04 3fhw s LEU 28 CO 0.05 0.13 0.12 -0.22 0.02 0.00 0.00 176.35 176.45 3fhw s LEU 29 N -1.65 3.77 -0.02 1.79 2.96 -0.28 -0.10 118.68 125.15 3fhw s LEU 29 Ca 0.08 -0.07 0.05 0.00 -0.22 0.00 0.00 54.13 53.97 3fhw s LEU 29 Cb -0.10 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 3fhw s LEU 29 CO 0.04 -0.01 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.15 3fhw s LEU 30 N 1.48 2.72 -0.10 -0.68 1.43 0.19 -0.28 118.68 123.44 3fhw s LEU 30 Ca 0.06 -0.26 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 3fhw s LEU 30 Cb -0.15 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.50 3fhw s LEU 30 CO 0.06 0.32 -0.21 0.54 0.23 0.00 0.00 176.35 177.29 3fhw s VAL 31 N -0.80 2.30 -0.08 -1.59 0.11 -0.49 -0.13 120.40 119.72 3fhw s VAL 31 Ca 0.13 -0.94 0.03 0.00 -2.93 0.00 0.00 61.98 58.27 3fhw s VAL 31 Cb -0.11 -1.89 -0.02 0.00 -1.53 0.00 0.00 36.38 32.83 3fhw s VAL 31 CO 0.02 0.55 -0.18 -2.28 -3.33 0.00 0.00 175.10 169.89 3fhw s HIS 32 N 0.26 2.64 -0.04 1.54 5.04 0.12 -0.77 115.29 124.08 3fhw s HIS 32 Ca -0.15 -0.57 0.00 0.00 -1.54 0.00 0.00 55.06 52.80 3fhw s HIS 32 Cb -0.17 -1.70 0.02 0.00 0.04 0.00 0.00 32.58 30.78 3fhw s HIS 32 CO 0.07 -0.12 -0.02 -1.21 -2.34 0.00 0.00 174.74 171.13 3fhw s GLU 33 N -0.10 0.54 0.19 2.88 2.02 -1.26 -0.38 118.70 122.59 3fhw s GLU 33 Ca -0.03 0.01 -0.24 0.00 0.02 0.00 0.00 54.97 54.73 3fhw s GLU 33 Cb -0.14 -0.69 0.06 0.00 0.10 0.00 0.00 34.13 33.46 3fhw s GLU 33 CO 0.04 -0.14 0.92 -1.54 0.02 0.00 0.00 175.26 174.56 3fhw s SER 34 N 1.13 -0.18 -0.16 -0.19 1.04 -0.55 -5.01 113.70 109.78 3fhw s SER 34 Ca -0.08 -0.48 -0.04 0.00 0.48 0.00 0.00 55.95 55.83 3fhw s SER 34 Cb -0.14 0.54 -0.03 0.00 0.10 0.00 0.00 66.02 66.50 3fhw s SER 34 CO -0.01 -1.01 -0.03 -1.83 0.98 0.00 0.00 173.24 171.33 3fhw s GLU 35 N -3.32 3.69 0.48 4.02 -1.05 -1.26 0.11 118.70 121.37 3fhw s GLU 35 Ca 0.13 -0.50 0.04 0.00 -0.15 0.00 0.00 54.97 54.48 3fhw s GLU 35 Cb -0.02 -2.94 -0.03 0.00 -0.44 0.00 0.00 34.13 30.70 3fhw s GLU 35 CO 0.04 0.26 0.07 0.14 0.95 0.00 0.00 175.26 176.72 3fhw s VAL 36 N 0.32 1.52 -0.18 1.83 -7.23 0.25 -4.98 120.40 111.94 3fhw s VAL 36 Ca -0.03 -1.90 -0.03 0.00 -1.81 0.00 0.00 61.98 58.20 3fhw s VAL 36 Cb -0.14 -2.43 -0.02 0.00 0.56 0.00 0.00 36.38 34.36 3fhw s VAL 36 CO 0.03 0.00 -0.06 0.54 -0.31 0.00 0.00 175.10 175.30 3fhw s VAL 37 N -2.80 3.51 -0.08 1.32 0.11 -1.26 -2.91 120.40 118.29 3fhw s VAL 37 Ca 0.19 -0.48 -0.00 0.00 -2.93 0.00 0.00 61.98 58.76 3fhw s VAL 37 Cb 0.03 -2.55 0.02 0.00 -1.53 0.00 0.00 36.38 32.36 3fhw s VAL 37 CO 0.10 0.47 -0.04 -0.70 -3.33 0.00 0.00 175.10 171.60 3fhw s GLU 38 N 0.83 1.02 -1.21 1.54 2.12 -1.26 -4.89 118.70 116.85 3fhw s GLU 38 Ca -0.02 -0.09 -0.20 0.00 0.36 0.00 0.00 54.97 55.02 3fhw s GLU 38 Cb -0.15 -1.17 0.00 0.00 0.26 0.00 0.00 34.13 33.08 3fhw s GLU 38 CO 0.01 -0.22 0.70 0.00 -0.54 0.00 0.00 175.26 175.21 3fhw n ALA 39 N 4.76 -2.47 0.00 6.30 0.00 -1.26 -4.95 120.51 122.89 3fhw n ALA 39 Ca -0.14 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 52.98 3fhw n ALA 39 Cb 0.50 -3.33 0.00 0.00 0.00 0.00 0.00 19.45 16.62 3fhw n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fhw n GLY 40 N -1.84 2.13 0.00 0.00 0.00 -1.26 -5.34 105.19 98.88 3fhw n GLY 40 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3fhw n GLY 40 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3fhw n ARG 43 N -2.00 0.00 -3.83 1.61 0.63 -1.15 -5.12 116.66 106.81 3fhw n ARG 43 Ca 0.00 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.60 3fhw n ARG 43 Cb 0.00 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.86 3fhw n ARG 43 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 3fhw s ARG 44 N -4.84 3.51 -0.07 -0.14 1.70 -1.26 -0.59 118.95 117.27 3fhw s ARG 44 Ca 0.00 -0.22 0.04 0.00 -0.47 0.00 0.00 55.73 55.08 3fhw s ARG 44 Cb 0.00 -3.05 -0.00 0.00 -0.57 0.00 0.00 34.95 31.33 3fhw s ARG 44 CO 0.00 0.63 -0.20 0.54 -1.08 0.00 0.00 175.30 175.19 3fhw s VAL 45 N -1.39 1.70 -0.15 4.99 0.11 0.12 -4.93 120.40 120.85 3fhw s VAL 45 Ca 0.30 -0.84 0.02 0.00 -2.93 0.00 0.00 61.98 58.53 3fhw s VAL 45 Cb -0.13 -1.47 0.01 0.00 -1.53 0.00 0.00 36.38 33.26 3fhw s VAL 45 CO 0.20 0.48 -0.20 -1.83 -3.33 0.00 0.00 175.10 170.42 3fhw s GLU 46 N 0.21 2.84 -0.07 1.54 -1.05 -1.26 -1.49 118.70 119.42 3fhw s GLU 46 Ca -0.10 -0.78 -0.00 0.00 -0.15 0.00 0.00 54.97 53.93 3fhw s GLU 46 Cb -0.15 -2.37 0.02 0.00 -0.44 0.00 0.00 34.13 31.20 3fhw s GLU 46 CO 0.05 -0.09 -0.03 -1.17 0.95 0.00 0.00 175.26 174.96 3fhw s LEU 47 N 1.03 0.95 -0.18 1.83 2.96 0.49 -4.98 118.68 120.78 3fhw s LEU 47 Ca -0.03 -0.16 -0.08 0.00 -0.22 0.00 0.00 54.13 53.65 3fhw s LEU 47 Cb -0.15 -0.56 -0.04 0.00 0.50 0.00 0.00 46.19 45.94 3fhw s LEU 47 CO -0.06 -0.13 0.09 -0.89 -1.32 0.00 0.00 176.35 174.04 3fhw s THR 48 N 1.60 5.08 -0.08 3.68 2.01 -1.26 0.14 115.64 126.80 3fhw s THR 48 Ca 0.00 0.07 -0.05 0.00 0.31 0.00 0.00 61.69 62.02 3fhw s THR 48 Cb -0.13 -3.28 0.04 0.00 0.01 0.00 0.00 72.50 69.13 3fhw s THR 48 CO -0.04 0.48 0.20 -0.51 -0.69 0.00 0.00 174.62 174.05 3fhw s ILE 49 N 0.15 -0.03 0.35 1.82 2.07 0.81 -4.99 121.20 121.38 3fhw s ILE 49 Ca 0.07 0.11 -0.26 0.00 -1.41 0.00 0.00 60.65 59.16 3fhw s ILE 49 Cb -0.12 -0.31 -0.09 0.00 0.13 0.00 0.00 42.46 42.07 3fhw s ILE 49 CO -0.00 0.05 1.08 -0.44 -1.91 0.00 0.00 174.94 173.71 3fhw s SER 50 N 0.90 6.97 0.06 4.50 0.01 -1.26 -0.64 113.70 124.23 3fhw s SER 50 Ca -0.07 2.16 0.03 0.00 1.31 0.00 0.00 55.95 59.38 3fhw s SER 50 Cb -0.08 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.52 3fhw s SER 50 CO -0.05 -0.35 -0.09 0.00 0.41 0.00 0.00 173.24 173.16 3fhw s ALA 51 N -1.42 0.76 -0.02 1.44 0.00 0.86 -0.71 121.76 122.67 3fhw s ALA 51 Ca 0.52 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.59 3fhw s ALA 51 Cb -0.27 0.03 0.01 0.00 0.00 0.00 0.00 23.12 22.89 3fhw s ALA 51 CO 0.34 -0.01 -0.05 0.08 0.00 0.00 0.00 175.76 176.13 3fhw s VAL 52 N -1.68 0.45 -0.06 0.00 1.01 -0.35 -0.57 120.40 119.19 3fhw s VAL 52 Ca -0.05 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 61.81 3fhw s VAL 52 Cb -0.08 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.85 3fhw s VAL 52 CO 0.00 0.17 -0.19 0.00 0.00 0.00 0.00 175.10 175.08 3fhw s ALA 53 N 0.39 2.45 0.18 5.51 0.00 -0.39 -1.08 121.76 128.83 3fhw s ALA 53 Ca -0.05 -1.00 0.10 0.00 0.00 0.00 0.00 51.96 51.01 3fhw s ALA 53 Cb -0.08 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.12 3fhw s ALA 53 CO -0.00 0.46 -0.13 -0.51 0.00 0.00 0.00 175.76 175.57 3fhw s LEU 54 N -0.35 2.84 0.00 0.00 1.43 -1.26 -1.06 118.68 120.28 3fhw s LEU 54 Ca 0.03 -0.65 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 3fhw s LEU 54 Cb -0.12 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.56 3fhw s LEU 54 CO 0.02 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.32 3fhw n GLY 55 N 0.08 1.64 0.29 -3.19 0.00 -0.39 -3.57 105.19 100.05 3fhw n GLY 55 Ca -0.11 -0.59 -0.02 0.00 0.00 0.00 0.00 46.02 45.31 3fhw n GLY 55 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3fhw h ASP 56 N 6.06 0.66 -0.40 1.61 5.19 -1.97 -2.44 116.42 125.13 3fhw h ASP 56 Ca 0.00 -0.12 -0.07 0.00 -0.62 0.00 0.00 57.03 56.22 3fhw h ASP 56 Cb 0.00 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.32 3fhw h ASP 56 CO 0.00 0.67 0.01 0.25 -3.12 0.00 0.00 179.24 177.05 3fhw h LEU 57 N 0.68 0.75 -0.51 1.55 5.85 -1.95 -0.75 115.31 120.94 3fhw h LEU 57 Ca 0.15 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 3fhw h LEU 57 Cb 0.30 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3fhw h LEU 57 CO 0.00 0.81 0.32 0.00 -0.34 0.00 0.00 178.44 179.23 3fhw h ALA 58 N 1.28 0.64 -0.45 1.25 0.00 -1.53 -0.72 119.26 119.72 3fhw h ALA 58 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3fhw h ALA 58 Cb 0.43 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3fhw h ALA 58 CO 0.02 0.12 0.28 -0.07 0.00 0.00 0.00 179.25 179.60 3fhw h LEU 59 N 0.68 0.54 -0.63 0.00 3.38 -1.12 -2.13 115.31 116.03 3fhw h LEU 59 Ca 0.18 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3fhw h LEU 59 Cb -0.03 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3fhw h LEU 59 CO -0.04 0.42 0.38 0.25 0.09 0.00 0.00 178.44 179.54 3fhw h LEU 60 N 0.61 0.76 -0.09 1.67 5.85 -0.91 -2.85 115.31 120.35 3fhw h LEU 60 Ca 0.16 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3fhw h LEU 60 Cb -0.03 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.81 3fhw h LEU 60 CO -0.03 0.59 -0.01 0.18 -0.34 0.00 0.00 178.44 178.83 3fhw n LEU 61 N -4.60 0.15 -4.67 2.25 4.77 -0.30 -4.87 117.00 109.73 3fhw n LEU 61 Ca 0.05 0.03 -0.45 0.00 -0.03 0.00 0.00 56.01 55.61 3fhw n LEU 61 Cb 0.05 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 3fhw n LEU 61 CO 0.36 0.03 0.99 0.00 -1.33 0.00 0.00 177.39 177.44 3fhw n ALA 62 N -0.98 1.08 -2.25 -1.18 0.00 -0.82 -2.56 120.51 113.80 3fhw n ALA 62 Ca 0.21 0.41 -0.21 0.00 0.00 0.00 0.00 53.44 53.84 3fhw n ALA 62 Cb 0.17 -2.26 -0.02 0.00 0.00 0.00 0.00 19.45 17.33 3fhw n ALA 62 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3fhw n ASP 63 N 1.99 -5.82 -4.67 0.00 8.00 -1.26 -4.94 116.55 109.84 3fhw n ASP 63 Ca 0.11 0.08 -0.43 0.00 0.71 0.00 0.00 54.79 55.26 3fhw n ASP 63 Cb 0.32 -4.88 -0.03 0.00 -0.02 0.00 0.00 41.12 36.50 3fhw n ASP 63 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3fhw n THR 64 N -3.72 0.60 -1.61 -3.53 -1.04 -1.06 -4.91 114.28 99.01 3fhw n THR 64 Ca -0.24 -0.11 -0.41 0.00 -2.04 0.00 0.00 64.05 61.25 3fhw n THR 64 Cb 0.69 -2.19 0.02 0.00 -1.82 0.00 0.00 70.33 67.03 3fhw n THR 64 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3fhw n PRO 65 N 6.73 1.28 -1.96 -2.82 -0.02 -1.26 -4.81 135.00 132.14 3fhw n PRO 65 Ca 0.20 0.46 -0.41 0.00 -2.02 0.00 0.00 63.50 61.73 3fhw n PRO 65 Cb 0.38 -2.05 -0.01 0.00 -0.02 0.00 0.00 33.50 31.80 3fhw n PRO 65 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fhw s LEU 66 N -0.66 4.37 0.00 2.45 1.43 -1.26 -2.87 118.68 122.13 3fhw s LEU 66 Ca 0.65 2.86 0.00 0.00 -1.03 0.00 0.00 54.13 56.61 3fhw s LEU 66 Cb -0.54 -3.67 0.00 0.00 0.03 0.00 0.00 46.19 42.02 3fhw s LEU 66 CO 0.56 -0.71 0.00 0.61 0.23 0.00 0.00 176.35 177.04 3fhw n GLY 67 N 0.63 1.87 3.66 -3.19 0.00 0.90 -4.99 105.19 104.06 3fhw n GLY 67 Ca 0.01 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 3fhw n GLY 67 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3fhw n THR 68 N -2.00 0.55 -3.61 2.61 -1.04 -1.14 -4.57 114.28 105.08 3fhw n THR 68 Ca 0.00 -0.14 -0.22 0.00 -2.04 0.00 0.00 64.05 61.65 3fhw n THR 68 Cb 0.00 -1.38 -0.01 0.00 -1.82 0.00 0.00 70.33 67.11 3fhw n THR 68 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3fhw s GLU 69 N 0.11 3.40 -0.08 -2.82 2.02 -1.26 -1.15 118.70 118.92 3fhw s GLU 69 Ca 0.74 -0.60 0.02 0.00 0.02 0.00 0.00 54.97 55.15 3fhw s GLU 69 Cb -0.70 -2.77 0.01 0.00 0.10 0.00 0.00 34.13 30.77 3fhw s GLU 69 CO 0.46 0.23 -0.14 -0.65 0.02 0.00 0.00 175.26 175.18 3fhw s GLN 71 N -4.18 1.93 0.15 1.61 -1.52 -0.03 -0.86 119.66 116.77 3fhw s GLN 71 Ca 0.39 -0.48 0.06 0.00 -1.95 0.00 0.00 55.36 53.37 3fhw s GLN 71 Cb -0.09 -1.59 -0.04 0.00 -0.22 0.00 0.00 33.01 31.06 3fhw s GLN 71 CO 0.33 0.02 -0.12 0.14 -0.25 0.00 0.00 175.29 175.40 3fhw s VAL 72 N 0.73 1.35 -0.07 1.09 -7.23 -0.00 -1.20 120.40 115.07 3fhw s VAL 72 Ca -0.13 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 57.98 3fhw s VAL 72 Cb -0.16 -1.80 0.02 0.00 0.56 0.00 0.00 36.38 35.00 3fhw s VAL 72 CO 0.03 -0.62 0.19 -1.58 -0.31 0.00 0.00 175.10 172.81 3fhw s GLN 73 N -3.42 0.21 0.00 4.82 -0.44 -0.37 -1.07 119.66 119.39 3fhw s GLN 73 Ca 0.16 0.28 0.00 0.00 -2.50 0.00 0.00 55.36 53.30 3fhw s GLN 73 Cb -0.00 0.08 0.00 0.00 -1.64 0.00 0.00 33.01 31.45 3fhw s GLN 73 CO 0.03 -0.04 0.00 0.41 0.50 0.00 0.00 175.29 176.19 3fhw n GLY 74 N 3.11 1.42 3.69 2.59 0.00 -0.63 -0.46 105.19 114.90 3fhw n GLY 74 Ca -0.14 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 44.93 3fhw n GLY 74 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3fhw s PHE 75 N -2.56 2.93 0.08 1.61 -0.71 -0.44 -0.40 117.98 118.49 3fhw s PHE 75 Ca 0.00 -0.08 -0.12 0.00 -1.04 0.00 0.00 56.93 55.69 3fhw s PHE 75 Cb 0.00 -1.46 -0.06 0.00 -1.21 0.00 0.00 43.02 40.29 3fhw s PHE 75 CO 0.00 0.50 0.44 -0.51 -1.34 0.00 0.00 175.22 174.31 3fhw s LEU 76 N -2.70 4.37 0.03 -1.99 1.43 -1.26 0.23 118.68 118.78 3fhw s LEU 76 Ca 0.27 0.90 -0.15 0.00 -1.03 0.00 0.00 54.13 54.12 3fhw s LEU 76 Cb -0.10 -2.99 0.03 0.00 0.03 0.00 0.00 46.19 43.15 3fhw s LEU 76 CO 0.19 0.18 0.34 0.00 0.23 0.00 0.00 176.35 177.29 3fhw s ALA 77 N -1.36 -0.80 0.50 4.21 0.00 -0.81 -4.95 121.76 118.56 3fhw s ALA 77 Ca 0.33 0.19 -0.22 0.00 0.00 0.00 0.00 51.96 52.25 3fhw s ALA 77 Cb -0.15 0.25 -0.07 0.00 0.00 0.00 0.00 23.12 23.15 3fhw s ALA 77 CO 0.18 -0.38 1.17 -0.35 0.00 0.00 0.00 175.76 176.38 3fhw n PRO 78 N 0.77 1.51 -0.18 0.00 -0.04 -1.26 -0.00 135.00 135.79 3fhw n PRO 78 Ca -0.19 0.55 -0.05 0.00 -0.04 0.00 0.00 63.50 63.76 3fhw n PRO 78 Cb 0.58 -2.32 0.11 0.00 -0.04 0.00 0.00 33.50 31.84 3fhw n PRO 78 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fhw h ALA 79 N 1.42 1.05 -2.57 0.55 0.00 -0.53 -3.42 119.26 115.77 3fhw h ALA 79 Ca -0.48 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.07 3fhw h ALA 79 Cb 1.32 -0.23 -0.13 0.00 0.00 0.00 0.00 17.79 18.74 3fhw h ALA 79 CO 0.56 0.61 -0.39 1.03 0.00 0.00 0.00 179.25 181.06 3fhw s ARG 80 N -5.18 1.03 0.13 0.00 1.81 -1.26 -4.95 118.95 110.54 3fhw s ARG 80 Ca -0.11 -1.17 -0.31 0.00 -1.72 0.00 0.00 55.73 52.43 3fhw s ARG 80 Cb 0.15 0.34 -0.08 0.00 -0.45 0.00 0.00 34.95 34.91 3fhw s ARG 80 CO 0.83 -0.35 1.41 0.15 -0.68 0.00 0.00 175.30 176.66 3fhw s LYS 81 N -3.95 4.31 0.00 3.54 3.01 -1.26 -1.31 119.74 124.07 3fhw s LYS 81 Ca 0.15 2.12 0.00 0.00 -1.01 0.00 0.00 55.97 57.23 3fhw s LYS 81 Cb 0.04 -3.23 0.00 0.00 -1.01 0.00 0.00 37.83 33.64 3fhw s LYS 81 CO -0.03 -0.45 0.00 -0.25 0.51 0.00 0.00 175.35 175.13 3fhw n ASP 82 N 3.86 -2.67 -4.86 2.83 8.00 -1.26 -5.04 116.55 117.41 3fhw n ASP 82 Ca 0.11 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.31 3fhw n ASP 82 Cb 0.42 -0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 41.05 3fhw n ASP 82 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3fhw s SER 83 N -2.06 6.51 -0.03 -2.24 1.04 -0.43 -4.99 113.70 111.51 3fhw s SER 83 Ca 0.00 1.31 -0.05 0.00 0.48 0.00 0.00 55.95 57.69 3fhw s SER 83 Cb 0.00 -2.40 -0.28 0.00 0.10 0.00 0.00 66.02 63.43 3fhw s SER 83 CO 0.00 -0.53 0.74 0.58 0.98 0.00 0.00 173.24 175.01 3fhw h VAL 84 N 0.83 1.02 -2.27 5.02 2.07 -1.96 -3.44 116.25 117.52 3fhw h VAL 84 Ca -0.47 -2.66 -0.58 0.00 0.82 0.00 0.00 66.70 63.81 3fhw h VAL 84 Cb 1.19 2.72 0.05 0.00 -1.52 0.00 0.00 31.29 33.73 3fhw h VAL 84 CO 0.63 0.82 0.85 1.17 0.02 0.00 0.00 177.57 181.05 3fhw n LYS 85 N -3.47 2.20 -3.90 1.57 4.81 -1.26 -4.88 118.16 113.22 3fhw n LYS 85 Ca -0.20 0.79 -0.24 0.00 -0.87 0.00 0.00 58.31 57.79 3fhw n LYS 85 Cb 1.05 -2.58 -0.02 0.00 0.02 0.00 0.00 35.03 33.50 3fhw n LYS 85 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 3fhw s VAL 86 N 1.33 5.27 -0.00 3.15 -7.23 -1.26 0.18 120.40 121.84 3fhw s VAL 86 Ca 0.80 -0.79 0.04 0.00 -1.81 0.00 0.00 61.98 60.22 3fhw s VAL 86 Cb -0.67 -3.81 -0.01 0.00 0.56 0.00 0.00 36.38 32.45 3fhw s VAL 86 CO 0.39 -0.24 -0.12 -0.54 -0.31 0.00 0.00 175.10 174.28 3fhw s LYS 87 N -3.67 0.94 -0.26 4.82 1.02 1.00 -4.36 119.74 119.23 3fhw s LYS 87 Ca 0.35 -0.46 -0.25 0.00 0.02 0.00 0.00 55.97 55.63 3fhw s LYS 87 Cb -0.10 -0.91 -0.00 0.00 -0.52 0.00 0.00 37.83 36.30 3fhw s LYS 87 CO 0.29 0.25 0.85 -1.17 -0.92 0.00 0.00 175.35 174.65 3fhw s LEU 88 N -0.39 4.07 -0.56 3.17 2.96 0.11 -1.92 118.68 126.12 3fhw s LEU 88 Ca 0.04 0.96 -0.22 0.00 -0.22 0.00 0.00 54.13 54.69 3fhw s LEU 88 Cb -0.05 -3.21 0.06 0.00 0.50 0.00 0.00 46.19 43.49 3fhw s LEU 88 CO -0.00 -0.58 0.84 -1.00 -1.32 0.00 0.00 176.35 174.29 3fhw s HIS 89 N 2.96 2.85 0.12 5.38 3.76 0.13 -1.21 115.29 129.28 3fhw s HIS 89 Ca 0.36 -0.35 -0.31 0.00 -0.15 0.00 0.00 55.06 54.61 3fhw s HIS 89 Cb -0.15 -3.96 -0.08 0.00 1.11 0.00 0.00 32.58 29.50 3fhw s HIS 89 CO 0.09 -1.32 1.43 -0.51 -0.85 0.00 0.00 174.74 173.58 3fhw s LEU 90 N 3.51 4.37 -0.06 0.89 1.43 -0.24 -1.33 118.68 127.25 3fhw s LEU 90 Ca 0.23 2.37 0.07 0.00 -1.03 0.00 0.00 54.13 55.77 3fhw s LEU 90 Cb -0.16 -3.59 -0.10 0.00 0.03 0.00 0.00 46.19 42.37 3fhw s LEU 90 CO 0.14 -0.69 0.07 0.00 0.23 0.00 0.00 176.35 176.09 3fhw n GLN 91 N 4.09 2.12 -3.89 1.70 6.02 0.39 -4.64 117.38 123.16 3fhw n GLN 91 Ca 0.12 -0.02 -0.11 0.00 -0.01 0.00 0.00 57.00 56.98 3fhw n GLN 91 Cb 0.42 -1.19 -0.12 0.00 1.02 0.00 0.00 30.24 30.37 3fhw n GLN 91 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3fhw s GLN 92 N -2.28 0.27 -0.19 -1.09 -0.21 -0.34 -5.01 119.66 110.82 3fhw s GLN 92 Ca -0.03 -0.25 -0.12 0.00 0.02 0.00 0.00 55.36 54.97 3fhw s GLN 92 Cb 0.03 0.11 0.06 0.00 1.00 0.00 0.00 33.01 34.21 3fhw s GLN 92 CO 0.31 -0.05 0.46 0.00 -2.12 0.00 0.00 175.29 173.89 3fhw s ALA 93 N -0.82 -1.19 0.01 6.09 0.00 -1.26 -1.23 121.76 123.35 3fhw s ALA 93 Ca -0.09 1.59 0.01 0.00 0.00 0.00 0.00 51.96 53.47 3fhw s ALA 93 Cb -0.05 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 22.11 3fhw s ALA 93 CO 0.00 -0.27 -0.03 1.03 0.00 0.00 0.00 175.76 176.49 3fhw s ARG 94 N 1.12 0.27 0.37 0.00 1.81 -0.34 -5.01 118.95 117.17 3fhw s ARG 94 Ca -0.07 -0.25 -0.24 0.00 -1.72 0.00 0.00 55.73 53.45 3fhw s ARG 94 Cb -0.07 -0.18 -0.10 0.00 -0.45 0.00 0.00 34.95 34.16 3fhw s ARG 94 CO -0.10 0.04 0.98 1.03 -0.68 0.00 0.00 175.30 176.57 3fhw s ARG 95 N -0.44 4.39 -1.05 3.54 0.52 -1.26 -0.85 118.95 123.81 3fhw s ARG 95 Ca -0.03 1.34 -0.22 0.00 -0.52 0.00 0.00 55.73 56.30 3fhw s ARG 95 Cb -0.03 -2.60 0.04 0.00 0.52 0.00 0.00 34.95 32.88 3fhw s ARG 95 CO -0.00 0.10 1.53 0.42 0.02 0.00 0.00 175.30 177.36 3fhw s ILE 96 N -1.74 3.91 0.33 1.52 1.01 -0.04 -4.84 121.20 121.34 3fhw s ILE 96 Ca 0.55 -0.88 -0.28 0.00 0.00 0.00 0.00 60.65 60.04 3fhw s ILE 96 Cb -0.18 -4.99 -0.10 0.00 0.01 0.00 0.00 42.46 37.20 3fhw s ILE 96 CO 0.23 -1.87 1.24 0.00 0.00 0.00 0.00 174.94 174.53 3fhw s ALA 97 N 5.34 3.43 0.18 9.38 0.00 -1.26 -4.89 121.76 133.93 3fhw s ALA 97 Ca 0.49 1.13 0.02 0.00 0.00 0.00 0.00 51.96 53.60 3fhw s ALA 97 Cb -0.00 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 3fhw s ALA 97 CO -0.07 -0.50 0.07 0.41 0.00 0.00 0.00 175.76 175.67 3fhw n GLY 98 N 0.88 3.70 2.78 0.00 0.00 -1.26 -5.24 105.19 106.05 3fhw n GLY 98 Ca 0.00 -1.98 -0.29 0.00 0.00 0.00 0.00 46.02 43.75 3fhw n GLY 98 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fhw s SER 99 N -2.10 3.85 0.00 1.61 1.04 -1.26 -5.15 113.70 111.68 3fhw s SER 99 Ca 0.10 -3.00 0.00 0.00 0.48 0.00 0.00 55.95 53.53 3fhw s SER 99 Cb 0.00 -1.25 0.00 0.00 0.10 0.00 0.00 66.02 64.88 3fhw s SER 99 CO 0.07 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.69 3fhw n GLY 101 N 3.07 -2.02 0.00 7.32 0.00 -1.26 -5.40 105.19 106.91 3fhw n GLY 101 Ca 0.12 0.99 0.00 0.00 0.00 0.00 0.00 46.02 47.13 3fhw n GLY 101 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19