#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fwq n LEU 10 N 0.00 0.34 -4.55 -4.62 7.94 -1.26 -4.81 117.00 110.04 1fwq n LEU 10 Ca 0.00 0.15 -0.42 0.00 -1.11 0.00 0.00 56.01 54.64 1fwq n LEU 10 Cb 0.00 0.26 -0.08 0.00 0.53 0.00 0.00 43.42 44.13 1fwq n LEU 10 CO 0.00 0.31 0.23 -0.69 -1.11 0.00 0.00 177.39 176.12 1fwq s VAL 11 N -2.79 5.01 0.02 1.96 1.01 -1.26 -3.30 120.40 121.05 1fwq s VAL 11 Ca -0.07 0.26 -0.00 0.00 0.00 0.00 0.00 61.98 62.17 1fwq s VAL 11 Cb 0.08 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1fwq s VAL 11 CO 0.84 -0.26 0.01 -0.24 0.00 0.00 0.00 175.10 175.45 1fwq n SER 12 N 5.77 -1.91 -0.26 3.32 2.88 -1.25 -4.78 113.62 117.38 1fwq n SER 12 Ca -0.05 -0.01 -0.03 0.00 -1.33 0.00 0.00 58.87 57.45 1fwq n SER 12 Cb 0.49 -0.01 0.03 0.00 -0.75 0.00 0.00 64.21 63.96 1fwq n SER 12 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1fwq h ALA 13 N -1.96 0.08 -2.39 -1.46 0.00 -1.97 -3.40 119.26 108.16 1fwq h ALA 13 Ca -0.01 0.21 -0.47 0.00 0.00 0.00 0.00 54.91 54.64 1fwq h ALA 13 Cb 0.02 0.83 0.14 0.00 0.00 0.00 0.00 17.79 18.77 1fwq h ALA 13 CO 0.00 -0.63 0.27 -1.21 0.00 0.00 0.00 179.25 177.68 1fwq s GLU 14 N -6.01 1.30 -1.25 0.00 2.02 -1.26 -4.91 118.70 108.59 1fwq s GLU 14 Ca -0.14 0.61 -0.05 0.00 0.02 0.00 0.00 54.97 55.40 1fwq s GLU 14 Cb 0.18 -1.83 0.11 0.00 0.10 0.00 0.00 34.13 32.69 1fwq s GLU 14 CO 0.71 -2.16 2.43 0.41 0.02 0.00 0.00 175.26 176.67 1fwq n GLY 15 N -1.59 5.12 2.96 -1.39 0.00 -1.26 -4.89 105.19 104.14 1fwq n GLY 15 Ca 0.07 -2.03 -0.17 0.00 0.00 0.00 0.00 46.02 43.89 1fwq n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fwq s ARG 16 N -1.15 0.57 -0.21 1.61 0.52 -1.26 -0.38 118.95 118.64 1fwq s ARG 16 Ca 0.55 -0.20 -0.33 0.00 -0.52 0.00 0.00 55.73 55.23 1fwq s ARG 16 Cb 0.20 -0.57 -0.10 0.00 0.52 0.00 0.00 34.95 35.01 1fwq s ARG 16 CO -0.11 0.09 2.08 0.27 0.02 0.00 0.00 175.30 177.66 1fwq n ASN 17 N 3.16 2.95 0.20 0.23 6.94 -0.60 -3.96 115.26 124.18 1fwq n ASN 17 Ca -0.16 0.57 0.08 0.00 -0.02 0.00 0.00 54.58 55.06 1fwq n ASN 17 Cb 0.56 -1.38 0.30 0.00 -2.36 0.00 0.00 39.78 36.90 1fwq n ASN 17 CO 0.00 0.00 0.00 -0.09 -1.03 0.00 0.00 177.26 176.14 1fwq h ARG 18 N 11.89 0.00 -6.20 -3.83 2.43 -1.88 0.32 114.38 117.11 1fwq h ARG 18 Ca -0.39 0.00 -0.49 0.00 -0.81 0.00 0.00 59.98 58.29 1fwq h ARG 18 Cb 1.28 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.80 1fwq h ARG 18 CO 0.98 0.28 -0.39 0.15 -1.51 0.00 0.00 179.97 179.47 1fwq s LYS 19 N -3.39 2.61 -0.08 0.20 1.02 -1.26 -4.71 119.74 114.12 1fwq s LYS 19 Ca 0.02 -1.45 -0.20 0.00 0.02 0.00 0.00 55.97 54.37 1fwq s LYS 19 Cb 0.09 -2.43 -0.04 0.00 -0.52 0.00 0.00 37.83 34.92 1fwq s LYS 19 CO 0.67 -0.12 0.55 0.00 -0.92 0.00 0.00 175.35 175.53 1fwq s ALA 20 N -2.42 3.45 -0.11 5.17 0.00 -1.02 -3.70 121.76 123.13 1fwq s ALA 20 Ca 0.47 -0.07 -0.30 0.00 0.00 0.00 0.00 51.96 52.06 1fwq s ALA 20 Cb -0.04 -2.73 -0.01 0.00 0.00 0.00 0.00 23.12 20.33 1fwq s ALA 20 CO 0.28 0.01 1.02 0.08 0.00 0.00 0.00 175.76 177.15 1fwq s VAL 21 N 0.49 4.76 -0.14 0.00 1.01 -0.51 -2.28 120.40 123.72 1fwq s VAL 21 Ca 0.30 2.03 0.02 0.00 0.00 0.00 0.00 61.98 64.32 1fwq s VAL 21 Cb -0.16 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 31.93 1fwq s VAL 21 CO 0.13 -0.01 -0.19 -0.76 0.00 0.00 0.00 175.10 174.28 1fwq s LEU 22 N 2.08 1.94 -0.83 3.92 1.43 -0.56 -0.46 118.68 126.20 1fwq s LEU 22 Ca 0.48 -0.55 -0.23 0.00 -1.03 0.00 0.00 54.13 52.80 1fwq s LEU 22 Cb -0.18 -1.32 -0.20 0.00 0.03 0.00 0.00 46.19 44.52 1fwq s LEU 22 CO 0.18 0.02 2.43 0.00 0.23 0.00 0.00 176.35 179.21 1fwq n GLN 24 N 7.92 0.09 0.09 0.00 -0.00 -1.26 0.20 117.38 124.42 1fwq n GLN 24 Ca 0.56 0.58 -0.14 0.00 -0.00 0.00 0.00 57.00 58.00 1fwq n GLN 24 Cb 0.27 -1.81 -0.12 0.00 -0.00 0.00 0.00 30.24 28.58 1fwq n GLN 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1fwq h ARG 25 N 0.00 0.23 0.00 2.61 2.47 -1.93 -3.36 114.38 114.40 1fwq h ARG 25 Ca 0.00 -0.37 -0.06 0.00 -1.26 0.00 0.00 59.98 58.29 1fwq h ARG 25 Cb 0.03 0.13 -0.14 0.00 -1.65 0.00 0.00 29.97 28.34 1fwq h ARG 25 CO 0.00 1.15 -0.62 0.00 0.56 0.00 0.00 179.97 181.07 1fwq n GLY 27 N -0.25 -0.44 3.95 0.00 0.00 0.53 -4.89 105.19 104.09 1fwq n GLY 27 Ca 0.08 0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1fwq n GLY 27 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1fwq s SER 28 N -2.81 5.44 -0.71 1.61 0.15 -0.97 -4.79 113.70 111.62 1fwq s SER 28 Ca 0.52 0.28 -0.20 0.00 0.70 0.00 0.00 55.95 57.25 1fwq s SER 28 Cb -0.30 -1.26 0.10 0.00 -1.71 0.00 0.00 66.02 62.85 1fwq s SER 28 CO 0.64 -1.06 0.92 -0.13 1.20 0.00 0.00 173.24 174.81 1fwq s ARG 29 N -4.81 3.23 0.00 5.44 0.52 -1.26 0.14 118.95 122.20 1fwq s ARG 29 Ca 0.54 -1.27 0.00 0.00 -0.52 0.00 0.00 55.73 54.48 1fwq s ARG 29 Cb -0.10 -4.42 0.00 0.00 0.52 0.00 0.00 34.95 30.95 1fwq s ARG 29 CO 0.40 -1.71 0.29 0.28 0.02 0.00 0.00 175.30 174.59 1fwq n VAL 30 N 5.63 0.00 -4.45 3.52 0.31 0.40 -4.31 118.33 119.42 1fwq n VAL 30 Ca 0.02 0.61 -0.23 0.00 -0.01 0.00 0.00 64.34 64.73 1fwq n VAL 30 Cb 0.45 -1.24 -0.10 0.00 -0.91 0.00 0.00 33.84 32.04 1fwq n VAL 30 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1fwq s LEU 31 N -2.08 2.58 0.51 7.52 1.43 -0.81 -3.79 118.68 124.04 1fwq s LEU 31 Ca 0.00 -1.15 -0.01 0.00 -1.03 0.00 0.00 54.13 51.94 1fwq s LEU 31 Cb 0.00 -0.81 0.01 0.00 0.03 0.00 0.00 46.19 45.42 1fwq s LEU 31 CO 0.00 -0.22 0.75 -1.10 0.23 0.00 0.00 176.35 176.01 1fwq s GLN 32 N -3.65 2.94 -0.98 1.70 -0.21 -1.26 -1.43 119.66 116.77 1fwq s GLN 32 Ca 0.29 -0.40 -0.24 0.00 0.02 0.00 0.00 55.36 55.04 1fwq s GLN 32 Cb 0.01 -2.47 0.01 0.00 1.00 0.00 0.00 33.01 31.57 1fwq s GLN 32 CO 0.13 -0.46 1.66 -1.25 -2.12 0.00 0.00 175.29 173.24 1fwq s PRO 33 N -4.71 3.17 0.00 2.91 0.04 -1.24 -2.55 135.00 132.62 1fwq s PRO 33 Ca 0.51 -0.80 0.00 0.00 0.04 0.00 0.00 61.00 60.75 1fwq s PRO 33 Cb -0.10 -5.24 0.00 0.00 0.04 0.00 0.00 34.50 29.20 1fwq s PRO 33 CO 0.40 -2.69 0.00 0.41 0.04 0.00 0.00 177.00 175.16 1fwq n GLY 34 N 6.85 0.61 1.42 0.56 0.00 0.10 -4.85 105.19 109.87 1fwq n GLY 34 Ca 0.36 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.27 1fwq n GLY 34 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fwq n THR 35 N 0.00 2.51 -3.65 2.61 -2.24 -1.06 -4.92 114.28 107.54 1fwq n THR 35 Ca 0.00 -3.52 -0.07 0.00 -2.27 0.00 0.00 64.05 58.19 1fwq n THR 35 Cb 0.00 -0.69 -0.07 0.00 -2.10 0.00 0.00 70.33 67.47 1fwq n THR 35 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fwq s ALA 36 N -3.43 -1.78 0.71 6.98 0.00 -1.26 -4.77 121.76 118.20 1fwq s ALA 36 Ca 0.47 2.29 -0.11 0.00 0.00 0.00 0.00 51.96 54.60 1fwq s ALA 36 Cb 0.40 -1.41 0.01 0.00 0.00 0.00 0.00 23.12 22.13 1fwq s ALA 36 CO -0.01 -0.44 1.10 -1.17 0.00 0.00 0.00 175.76 175.24 1fwq s LEU 37 N 1.78 2.90 0.26 0.00 0.20 0.13 -1.56 118.68 122.39 1fwq s LEU 37 Ca -0.09 1.14 -0.07 0.00 0.69 0.00 0.00 54.13 55.80 1fwq s LEU 37 Cb -0.06 -3.94 -0.06 0.00 -0.43 0.00 0.00 46.19 41.70 1fwq s LEU 37 CO -0.19 -1.35 0.55 0.12 -0.29 0.00 0.00 176.35 175.19 1fwq s PHE 38 N -3.35 3.46 -0.31 5.38 5.36 0.48 0.19 117.98 129.19 1fwq s PHE 38 Ca 0.58 0.73 0.02 0.00 -0.96 0.00 0.00 56.93 57.30 1fwq s PHE 38 Cb -0.11 -2.16 0.16 0.00 -0.34 0.00 0.00 43.02 40.57 1fwq s PHE 38 CO 0.52 0.21 0.39 0.45 -1.46 0.00 0.00 175.22 175.34 1fwq s SER 39 N -2.84 0.66 -0.24 6.13 0.15 0.51 -4.39 113.70 113.69 1fwq s SER 39 Ca 0.45 -0.67 -0.04 0.00 0.70 0.00 0.00 55.95 56.39 1fwq s SER 39 Cb -0.11 0.95 -0.04 0.00 -1.71 0.00 0.00 66.02 65.11 1fwq s SER 39 CO 0.27 -0.34 2.89 -2.11 1.20 0.00 0.00 173.24 175.15 1fwq n ARG 40 N 5.12 2.05 -3.29 5.44 1.85 -1.20 0.15 116.66 126.77 1fwq n ARG 40 Ca 0.02 -1.55 -0.38 0.00 -1.00 0.00 0.00 57.85 54.94 1fwq n ARG 40 Cb 0.48 -1.91 -0.06 0.00 -1.05 0.00 0.00 32.46 29.92 1fwq n ARG 40 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1fwq s ARG 41 N -0.63 4.32 -0.55 2.89 3.52 0.66 -4.66 118.95 124.50 1fwq s ARG 41 Ca 0.52 0.51 -0.26 0.00 -0.13 0.00 0.00 55.73 56.37 1fwq s ARG 41 Cb 0.31 -3.41 -0.07 0.00 -1.56 0.00 0.00 34.95 30.21 1fwq s ARG 41 CO -0.09 0.20 2.31 -0.65 -0.81 0.00 0.00 175.30 176.26 1fwq s GLN 42 N 0.46 2.13 0.45 5.12 -0.21 -1.26 -3.79 119.66 122.56 1fwq s GLN 42 Ca 0.27 1.14 0.08 0.00 0.02 0.00 0.00 55.36 56.88 1fwq s GLN 42 Cb -0.16 -4.59 0.01 0.00 1.00 0.00 0.00 33.01 29.28 1fwq s GLN 42 CO 0.12 -3.33 0.50 -0.51 -2.12 0.00 0.00 175.29 169.95 1fwq s LEU 43 N 11.97 3.39 -0.06 2.90 1.43 0.58 -4.90 118.68 133.98 1fwq s LEU 43 Ca 0.92 -0.69 0.02 0.00 -1.03 0.00 0.00 54.13 53.35 1fwq s LEU 43 Cb -0.16 -2.13 0.01 0.00 0.03 0.00 0.00 46.19 43.94 1fwq s LEU 43 CO 0.23 -0.82 -0.11 0.12 0.23 0.00 0.00 176.35 175.99 1fwq s PHE 44 N -2.48 1.34 -0.35 0.29 5.36 -1.26 -0.55 117.98 120.34 1fwq s PHE 44 Ca 0.51 -0.47 0.02 0.00 -0.96 0.00 0.00 56.93 56.03 1fwq s PHE 44 Cb -0.06 -0.99 0.10 0.00 -0.34 0.00 0.00 43.02 41.73 1fwq s PHE 44 CO 0.31 -0.25 0.09 -0.51 -1.46 0.00 0.00 175.22 173.40 1fwq s LEU 45 N 0.63 3.74 -0.29 6.12 1.02 -0.58 -4.87 118.68 124.45 1fwq s LEU 45 Ca -0.13 -2.06 -0.29 0.00 0.02 0.00 0.00 54.13 51.67 1fwq s LEU 45 Cb -0.15 -1.33 0.00 0.00 0.02 0.00 0.00 46.19 44.73 1fwq s LEU 45 CO 0.03 -0.38 1.24 -2.16 0.02 0.00 0.00 176.35 175.11 1fwq s PRO 46 N 1.05 3.99 -0.48 1.29 0.04 -1.26 -0.69 135.00 138.93 1fwq s PRO 46 Ca 0.11 1.25 -0.45 0.00 0.04 0.00 0.00 61.00 61.96 1fwq s PRO 46 Cb -0.19 -3.83 -0.19 0.00 0.04 0.00 0.00 34.50 30.33 1fwq s PRO 46 CO -0.13 -1.02 1.85 0.43 0.04 0.00 0.00 177.00 178.16 1fwq n SER 47 N 7.33 1.11 0.26 6.66 7.64 -1.26 -4.04 113.62 131.31 1fwq n SER 47 Ca 0.14 0.95 0.15 0.00 1.01 0.00 0.00 58.87 61.12 1fwq n SER 47 Cb 0.46 -0.91 0.63 0.00 -1.01 0.00 0.00 64.21 63.38 1fwq n SER 47 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 1fwq h MET 48 N 6.97 0.00 -0.86 1.43 4.05 -1.60 -3.15 114.93 121.77 1fwq h MET 48 Ca -0.30 0.00 0.20 0.00 -0.28 0.00 0.00 59.70 59.33 1fwq h MET 48 Cb 1.39 0.00 -0.16 0.00 -0.80 0.00 0.00 31.60 32.03 1fwq h MET 48 CO 1.03 0.07 -0.04 -0.09 0.23 0.00 0.00 176.91 178.10 1fwq h ARG 49 N 0.00 0.05 0.00 0.39 1.12 -1.79 -3.41 114.38 110.74 1fwq h ARG 49 Ca -0.00 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1fwq h ARG 49 Cb 0.57 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.52 1fwq h ARG 49 CO 0.01 0.03 0.00 1.17 -3.11 0.00 0.00 179.97 178.07 1fwq n LYS 50 N -5.44 0.00 -0.92 0.20 4.81 -1.19 -4.84 118.16 110.78 1fwq n LYS 50 Ca 0.16 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.72 1fwq n LYS 50 Cb 0.55 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.57 1fwq n LYS 50 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1fwq n LYS 51 N 0.00 -1.78 0.00 1.64 5.02 -1.26 -4.73 118.16 117.06 1fwq n LYS 51 Ca 0.00 1.22 0.00 0.00 -2.02 0.00 0.00 58.31 57.51 1fwq n LYS 51 Cb 0.00 -2.21 0.00 0.00 -0.02 0.00 0.00 35.03 32.80 1fwq n LYS 51 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1fwq n PRO 52 N -2.91 0.00 0.00 1.97 -0.04 -1.26 -4.90 135.00 127.86 1fwq n PRO 52 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1fwq n PRO 52 Cb 0.60 -0.51 0.00 0.00 -0.04 0.00 0.00 33.50 33.55 1fwq n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fwq n ALA 53 N -0.76 0.00 -1.83 0.55 0.00 -1.26 -4.68 120.51 112.54 1fwq n ALA 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1fwq n ALA 53 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1fwq n ALA 53 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1fwq n LEU 54 N 0.00 -4.93 0.00 0.00 -0.00 -1.26 -4.37 117.00 106.43 1fwq n LEU 54 Ca 0.00 1.85 0.00 0.00 -0.00 0.00 0.00 56.01 57.86 1fwq n LEU 54 Cb 0.00 -2.43 0.00 0.00 -0.00 0.00 0.00 43.42 40.99 1fwq n LEU 54 CO 0.00 -1.80 0.00 -1.20 -0.00 0.00 0.00 177.39 174.39 1fwq n SER 55 N 1.17 0.00 -0.47 1.96 7.64 -1.26 -4.93 113.62 117.73 1fwq n SER 55 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1fwq n SER 55 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1fwq n SER 55 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1fwq n ASP 56 N 2.17 -3.14 -0.83 6.43 9.92 -1.26 -4.24 116.55 125.59 1fwq n ASP 56 Ca 0.00 0.00 0.03 0.00 -0.53 0.00 0.00 54.79 54.29 1fwq n ASP 56 Cb 0.00 0.00 0.21 0.00 -0.64 0.00 0.00 41.12 40.69 1fwq n ASP 56 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1fwq n GLY 57 N 0.00 4.72 3.47 0.44 0.00 -1.26 -4.96 105.19 107.60 1fwq n GLY 57 Ca 0.00 -1.18 -0.19 0.00 0.00 0.00 0.00 46.02 44.65 1fwq n GLY 57 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1fwq n SER 58 N -1.02 -3.79 -2.72 1.61 2.88 -1.26 -4.94 113.62 104.38 1fwq n SER 58 Ca 0.25 -0.75 -0.07 0.00 -1.33 0.00 0.00 58.87 56.97 1fwq n SER 58 Cb 0.88 -4.67 0.08 0.00 -0.75 0.00 0.00 64.21 59.75 1fwq n SER 58 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1fwq n ASN 59 N -3.09 -2.21 0.00 -3.46 4.05 -1.26 -4.97 115.26 104.33 1fwq n ASN 59 Ca -0.19 -3.07 0.14 0.00 0.45 0.00 0.00 54.58 51.91 1fwq n ASN 59 Cb 0.65 1.64 0.71 0.00 1.23 0.00 0.00 39.78 44.01 1fwq n ASN 59 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1fwq n PRO 60 N 0.89 0.30 -2.80 1.20 -0.04 -1.26 -4.79 135.00 128.50 1fwq n PRO 60 Ca 0.04 0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 63.10 1fwq n PRO 60 Cb 0.69 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.62 1fwq n PRO 60 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1fwq s ASP 61 N -2.70 7.22 0.00 3.54 1.01 -1.26 -4.87 116.67 119.62 1fwq s ASP 61 Ca 0.24 1.48 0.00 0.00 0.71 0.00 0.00 52.55 54.98 1fwq s ASP 61 Cb 0.20 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.60 1fwq s ASP 61 CO 0.47 -0.28 0.00 0.61 0.21 0.00 0.00 175.17 176.19 1fwq n GLY 62 N 3.04 -2.79 2.89 0.21 0.00 -1.26 -4.82 105.19 102.45 1fwq n GLY 62 Ca 0.05 -0.84 -0.28 0.00 0.00 0.00 0.00 46.02 44.95 1fwq n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fwq s ASP 63 N -1.82 2.63 -1.18 1.61 1.11 0.13 -4.87 116.67 114.28 1fwq s ASP 63 Ca 0.00 -0.56 -0.20 0.00 0.18 0.00 0.00 52.55 51.97 1fwq s ASP 63 Cb 0.00 -0.87 0.07 0.00 1.07 0.00 0.00 42.92 43.19 1fwq s ASP 63 CO 0.00 -0.17 1.59 -0.76 1.18 0.00 0.00 175.17 177.01 1fwq s LEU 64 N 1.67 3.84 0.00 1.23 2.01 -1.26 -1.52 118.68 124.64 1fwq s LEU 64 Ca 0.02 -2.10 -0.00 0.00 0.01 0.00 0.00 54.13 52.06 1fwq s LEU 64 Cb -0.15 -2.56 0.01 0.00 0.01 0.00 0.00 46.19 43.50 1fwq s LEU 64 CO -0.08 -1.27 0.04 0.18 1.01 0.00 0.00 176.35 176.24 1fwq n LEU 65 N 8.34 0.00 0.00 1.79 4.77 0.29 -4.79 117.00 127.40 1fwq n LEU 65 Ca 0.41 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1fwq n LEU 65 Cb 0.48 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1fwq n LEU 65 CO 0.71 -0.53 0.00 0.00 -1.33 0.00 0.00 177.39 176.24 1fwq n GLN 66 N -1.09 0.00 -2.86 3.23 6.02 -1.25 -0.31 117.38 121.13 1fwq n GLN 66 Ca 0.01 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.60 1fwq n GLN 66 Cb 0.02 -0.30 -0.06 0.00 1.02 0.00 0.00 30.24 30.92 1fwq n GLN 66 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1fwq s GLU 67 N -1.00 4.69 -0.27 -1.09 2.02 -1.25 0.24 118.70 122.04 1fwq s GLU 67 Ca 0.00 1.31 -0.21 0.00 0.02 0.00 0.00 54.97 56.10 1fwq s GLU 67 Cb 0.00 -3.21 0.07 0.00 0.10 0.00 0.00 34.13 31.10 1fwq s GLU 67 CO 0.00 0.51 0.69 -1.01 0.02 0.00 0.00 175.26 175.47 1fwq s HIS 68 N -1.23 -0.89 -0.84 1.61 3.76 0.39 -2.56 115.29 115.53 1fwq s HIS 68 Ca 0.40 1.97 -0.25 0.00 -0.15 0.00 0.00 55.06 57.03 1fwq s HIS 68 Cb -0.24 0.41 0.02 0.00 1.11 0.00 0.00 32.58 33.89 1fwq s HIS 68 CO 0.28 -0.43 1.46 -1.58 -0.85 0.00 0.00 174.74 173.62 1fwq s TRP 69 N 0.90 2.26 -0.56 1.40 0.23 -0.66 0.19 118.94 122.70 1fwq s TRP 69 Ca -0.04 -0.18 -0.28 0.00 -2.03 0.00 0.00 56.10 53.56 1fwq s TRP 69 Cb -0.05 -4.55 0.02 0.00 0.03 0.00 0.00 33.47 28.92 1fwq s TRP 69 CO -0.08 -2.03 1.34 -1.17 0.96 0.00 0.00 176.95 175.97 1fwq s LEU 70 N 6.21 3.43 0.29 2.99 2.96 0.50 -1.68 118.68 133.38 1fwq s LEU 70 Ca 0.46 0.25 0.02 0.00 -0.22 0.00 0.00 54.13 54.64 1fwq s LEU 70 Cb -0.05 -3.12 -0.03 0.00 0.50 0.00 0.00 46.19 43.48 1fwq s LEU 70 CO 0.05 -1.62 0.46 -0.69 -1.32 0.00 0.00 176.35 173.24 1fwq s VAL 71 N 5.64 5.17 -1.44 1.68 1.01 0.20 -0.69 120.40 131.96 1fwq s VAL 71 Ca 0.49 -0.64 0.18 0.00 0.00 0.00 0.00 61.98 62.01 1fwq s VAL 71 Cb -0.10 -3.85 0.53 0.00 0.00 0.00 0.00 36.38 32.96 1fwq s VAL 71 CO 0.25 -0.44 1.44 -0.62 0.00 0.00 0.00 175.10 175.74 1fwq n GLU 72 N -1.53 2.91 -3.39 2.72 1.02 -1.26 -2.28 120.64 118.82 1fwq n GLU 72 Ca -0.06 -2.48 0.02 0.00 -0.02 0.00 0.00 57.16 54.61 1fwq n GLU 72 Cb 0.56 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 30.45 1fwq n GLU 72 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1fwq s ASP 73 N -1.02 -1.24 0.44 1.62 2.15 -1.26 -4.96 116.67 112.40 1fwq s ASP 73 Ca 0.40 1.20 0.15 0.00 0.43 0.00 0.00 52.55 54.73 1fwq s ASP 73 Cb 0.22 2.21 0.97 0.00 -0.30 0.00 0.00 42.92 46.02 1fwq s ASP 73 CO 0.25 -0.23 1.96 0.00 -0.17 0.00 0.00 175.17 176.98 1fwq h MET 74 N 7.99 0.00 0.00 4.34 -0.00 -1.94 -1.56 114.93 123.76 1fwq h MET 74 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.50 1fwq h MET 74 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.73 1fwq h MET 74 CO 0.17 0.22 0.17 0.35 -0.00 0.00 0.00 176.91 177.82 1fwq h PHE 75 N 0.00 0.00 -0.73 -0.10 3.57 -2.00 -0.43 116.94 117.25 1fwq h PHE 75 Ca -0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1fwq h PHE 75 Cb 0.40 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 1fwq h PHE 75 CO 0.00 0.00 0.35 0.82 -2.23 0.00 0.00 178.31 177.25 1fwq h ILE 76 N 0.00 1.24 -0.50 1.41 2.04 -1.69 -3.43 117.51 116.58 1fwq h ILE 76 Ca 0.00 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1fwq h ILE 76 Cb 0.34 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1fwq h ILE 76 CO 0.00 0.28 0.00 0.49 0.00 0.00 0.00 178.15 178.92 1fwq n PHE 77 N -4.41 -1.18 0.00 1.37 3.72 -0.17 -4.88 117.46 111.91 1fwq n PHE 77 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 1fwq n PHE 77 Cb 0.13 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 1fwq n PHE 77 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1fwq n GLU 78 N -0.99 0.00 -1.22 -1.08 1.02 -1.25 -4.89 120.64 112.22 1fwq n GLU 78 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.91 1fwq n GLU 78 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1fwq n GLU 78 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1fwq n ASN 79 N 0.00 6.60 -4.86 1.62 3.02 -1.26 -4.94 115.26 115.44 1fwq n ASN 79 Ca 0.00 -3.21 -0.33 0.00 -0.03 0.00 0.00 54.58 51.01 1fwq n ASN 79 Cb 0.00 -1.13 -0.06 0.00 -0.61 0.00 0.00 39.78 37.98 1fwq n ASN 79 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1fwq s VAL 80 N -2.56 4.89 0.10 2.41 0.11 -1.26 -0.49 120.40 123.60 1fwq s VAL 80 Ca 0.47 0.61 0.00 0.00 -2.93 0.00 0.00 61.98 60.13 1fwq s VAL 80 Cb 0.33 -3.64 0.00 0.00 -1.53 0.00 0.00 36.38 31.54 1fwq s VAL 80 CO -0.11 -0.01 0.04 0.61 -3.33 0.00 0.00 175.10 172.30 1fwq n GLY 81 N 0.06 3.51 2.86 6.54 0.00 0.31 -4.04 105.19 114.43 1fwq n GLY 81 Ca -0.01 -2.22 -0.16 0.00 0.00 0.00 0.00 46.02 43.64 1fwq n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fwq s PHE 82 N -0.91 -0.18 -0.41 1.61 0.08 -1.21 -2.17 117.98 114.78 1fwq s PHE 82 Ca 0.03 0.60 -0.27 0.00 0.12 0.00 0.00 56.93 57.41 1fwq s PHE 82 Cb -0.00 -0.21 0.02 0.00 -0.57 0.00 0.00 43.02 42.25 1fwq s PHE 82 CO 0.02 -0.25 1.00 0.99 -0.10 0.00 0.00 175.22 176.88 1fwq s THR 83 N 2.05 4.45 1.00 0.64 2.01 0.44 -4.69 115.64 121.54 1fwq s THR 83 Ca 0.00 1.17 -0.20 0.00 0.31 0.00 0.00 61.69 62.98 1fwq s THR 83 Cb -0.12 -4.44 -0.14 0.00 0.01 0.00 0.00 72.50 67.81 1fwq s THR 83 CO -0.06 -0.72 -0.91 2.29 -0.69 0.00 0.00 174.62 174.54 1fwq n LYS 84 N 7.15 -0.07 -1.63 4.92 2.85 -1.26 -0.86 118.16 129.27 1fwq n LYS 84 Ca 0.09 -0.02 -0.47 0.00 -1.05 0.00 0.00 58.31 56.86 1fwq n LYS 84 Cb 0.48 -1.08 -0.04 0.00 -0.65 0.00 0.00 35.03 33.74 1fwq n LYS 84 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1fwq n ASP 85 N 3.01 3.34 -2.37 -5.58 5.75 -1.26 -4.02 116.55 115.42 1fwq n ASP 85 Ca -0.01 0.72 -0.24 0.00 -0.01 0.00 0.00 54.79 55.25 1fwq n ASP 85 Cb 0.61 -1.42 -0.07 0.00 -1.03 0.00 0.00 41.12 39.22 1fwq n ASP 85 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1fwq n VAL 86 N 6.05 3.23 0.00 2.12 0.31 -0.83 -4.66 118.33 124.54 1fwq n VAL 86 Ca 0.26 -2.67 0.00 0.00 -0.01 0.00 0.00 64.34 61.93 1fwq n VAL 86 Cb 0.33 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 1fwq n VAL 86 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fwq n GLY 87 N 1.08 3.16 0.27 2.92 0.00 -1.26 -4.70 105.19 106.65 1fwq n GLY 87 Ca 0.46 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1fwq n GLY 87 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fwq n ASN 88 N 0.00 0.00 -3.70 1.61 4.13 -1.26 -5.10 115.26 110.94 1fwq n ASN 88 Ca 0.00 -1.13 -0.11 0.00 1.68 0.00 0.00 54.58 55.02 1fwq n ASN 88 Cb 0.00 -0.03 -0.12 0.00 -1.54 0.00 0.00 39.78 38.10 1fwq n ASN 88 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1fwq s ILE 89 N 0.00 -0.15 -0.66 2.41 1.01 -1.26 -4.52 121.20 118.02 1fwq s ILE 89 Ca 0.00 0.15 -0.27 0.00 0.00 0.00 0.00 60.65 60.53 1fwq s ILE 89 Cb 0.00 -0.51 0.03 0.00 0.01 0.00 0.00 42.46 42.00 1fwq s ILE 89 CO 0.00 0.06 1.19 -0.54 0.00 0.00 0.00 174.94 175.65 1fwq s LYS 90 N 1.63 3.31 0.87 2.79 -0.14 0.39 -1.96 119.74 126.63 1fwq s LYS 90 Ca -0.07 -0.12 -0.15 0.00 -1.36 0.00 0.00 55.97 54.27 1fwq s LYS 90 Cb -0.10 -4.12 0.20 0.00 -1.68 0.00 0.00 37.83 32.14 1fwq s LYS 90 CO -0.11 -1.90 1.15 1.19 -0.76 0.00 0.00 175.35 174.93 1fwq n PHE 91 N 8.74 -3.98 -4.77 3.18 3.72 -0.03 -0.77 117.46 123.54 1fwq n PHE 91 Ca 0.04 -1.02 -0.24 0.00 -0.05 0.00 0.00 57.45 56.19 1fwq n PHE 91 Cb 0.49 -0.91 -0.15 0.00 -0.94 0.00 0.00 39.48 37.97 1fwq n PHE 91 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1fwq s LEU 92 N 0.00 2.01 -0.05 4.37 1.02 -0.74 -0.42 118.68 124.88 1fwq s LEU 92 Ca 0.66 -0.30 -0.02 0.00 0.02 0.00 0.00 54.13 54.49 1fwq s LEU 92 Cb -0.02 -0.84 0.03 0.00 0.02 0.00 0.00 46.19 45.38 1fwq s LEU 92 CO 0.46 0.19 0.05 0.68 0.02 0.00 0.00 176.35 177.75 1fwq s VAL 93 N -0.33 0.00 0.05 -1.59 -7.23 -0.92 -0.86 120.40 109.52 1fwq s VAL 93 Ca 0.05 0.35 -0.38 0.00 -1.81 0.00 0.00 61.98 60.20 1fwq s VAL 93 Cb -0.07 -0.23 -0.18 0.00 0.56 0.00 0.00 36.38 36.46 1fwq s VAL 93 CO -0.00 0.20 1.26 0.00 -0.31 0.00 0.00 175.10 176.24 1fwq h ALA 95 N 4.07 1.01 0.00 0.00 0.00 -0.93 0.29 119.26 123.70 1fwq h ALA 95 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1fwq h ALA 95 Cb 1.37 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1fwq h ALA 95 CO 0.74 0.00 0.00 -0.44 0.00 0.00 0.00 179.25 179.55 1fwq h ASP 96 N 0.00 0.00 -0.53 0.00 3.32 -1.85 -3.37 116.42 113.99 1fwq h ASP 96 Ca -0.00 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.75 1fwq h ASP 96 Cb 0.29 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 39.61 1fwq h ASP 96 CO 0.00 0.00 -0.66 0.00 -1.72 0.00 0.00 179.24 176.86 1fwq n GLU 98 N 0.13 0.00 0.02 0.00 1.02 -0.02 -4.35 120.64 117.44 1fwq n GLU 98 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1fwq n GLU 98 Cb 0.73 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.95 1fwq n GLU 98 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1fwq n ILE 99 N 6.09 0.00 -0.31 -3.67 5.41 -1.26 -4.98 119.36 120.63 1fwq n ILE 99 Ca 0.57 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.32 1fwq n ILE 99 Cb 0.05 -0.02 0.00 0.00 -0.71 0.00 0.00 39.64 38.95 1fwq n ILE 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1fwq n GLY 100 N -0.03 0.81 3.59 7.39 0.00 -1.26 -3.66 105.19 112.03 1fwq n GLY 100 Ca 0.00 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 1fwq n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fwq s PRO 101 N 0.00 3.39 0.04 1.61 0.04 -1.26 -2.90 135.00 135.92 1fwq s PRO 101 Ca 0.00 0.77 0.05 0.00 0.04 0.00 0.00 61.00 61.86 1fwq s PRO 101 Cb 0.00 -4.10 -0.24 0.00 0.04 0.00 0.00 34.50 30.20 1fwq s PRO 101 CO 0.00 -1.81 0.98 0.82 0.04 0.00 0.00 177.00 177.04 1fwq h ILE 102 N 6.49 1.31 -1.82 0.56 2.04 -1.30 -3.46 117.51 121.32 1fwq h ILE 102 Ca -0.28 -3.03 -0.55 0.00 1.00 0.00 0.00 64.86 62.00 1fwq h ILE 102 Cb 1.11 2.71 -0.08 0.00 -0.74 0.00 0.00 36.82 39.82 1fwq h ILE 102 CO 1.12 0.80 -0.54 -0.83 0.00 0.00 0.00 178.15 178.70 1fwq s GLY 103 N -4.89 2.04 -0.08 5.37 0.00 -1.10 -1.15 107.32 107.52 1fwq s GLY 103 Ca -0.04 -1.91 0.03 0.00 0.00 0.00 0.00 44.72 42.81 1fwq s GLY 103 CO 0.83 -1.81 -0.19 0.86 0.00 0.00 0.00 173.10 172.79 1fwq s TRP 104 N -2.48 2.09 -0.38 1.90 -0.00 -0.32 -1.78 118.94 117.97 1fwq s TRP 104 Ca 0.38 -0.82 0.03 0.00 -0.00 0.00 0.00 56.10 55.69 1fwq s TRP 104 Cb -0.01 -1.44 0.16 0.00 -0.00 0.00 0.00 33.47 32.18 1fwq s TRP 104 CO 0.22 -0.35 0.35 -1.58 -0.00 0.00 0.00 176.95 175.60 1fwq s HIS 105 N 0.44 0.09 1.06 5.86 2.46 0.05 -1.47 115.29 123.77 1fwq s HIS 105 Ca -0.16 -1.26 -0.15 0.00 0.47 0.00 0.00 55.06 53.96 1fwq s HIS 105 Cb -0.17 -0.56 0.22 0.00 -0.13 0.00 0.00 32.58 31.94 1fwq s HIS 105 CO 0.07 -0.93 1.11 0.00 -2.47 0.00 0.00 174.74 172.52 1fwq n LEU 107 N -4.31 0.56 0.00 0.00 4.77 -1.26 -3.92 117.00 112.84 1fwq n LEU 107 Ca 0.08 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1fwq n LEU 107 Cb 0.58 -0.22 0.30 0.00 -2.33 0.00 0.00 43.42 41.76 1fwq n LEU 107 CO 0.53 0.07 0.94 -0.78 -1.33 0.00 0.00 177.39 176.82 1fwq h ASP 108 N 0.00 0.48 -3.42 -1.43 3.58 -1.94 -3.37 116.42 110.32 1fwq h ASP 108 Ca 0.00 -0.09 -0.61 0.00 0.42 0.00 0.00 57.03 56.75 1fwq h ASP 108 Cb 0.59 -0.13 -0.40 0.00 1.72 0.00 0.00 39.33 41.11 1fwq h ASP 108 CO 0.00 0.55 -0.75 -1.81 -2.88 0.00 0.00 179.24 174.35 1fwq s ASP 109 N -6.74 4.22 0.00 2.28 1.11 -1.25 -4.95 116.67 111.34 1fwq s ASP 109 Ca -0.07 -1.72 0.14 0.00 0.18 0.00 0.00 52.55 51.08 1fwq s ASP 109 Cb 0.15 -1.17 0.72 0.00 1.07 0.00 0.00 42.92 43.69 1fwq s ASP 109 CO 0.76 -0.37 1.35 0.29 1.18 0.00 0.00 175.17 178.39 1fwq n LYS 110 N 4.62 0.24 0.00 8.23 5.02 -1.26 -2.16 118.16 132.84 1fwq n LYS 110 Ca -0.02 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1fwq n LYS 110 Cb 0.42 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1fwq n LYS 110 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1fwq n ASN 111 N -1.24 1.19 -4.44 4.39 5.15 -1.26 -4.89 115.26 114.16 1fwq n ASN 111 Ca 0.07 -1.22 -0.44 0.00 -0.60 0.00 0.00 54.58 52.39 1fwq n ASN 111 Cb 0.10 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.33 1fwq n ASN 111 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1fwq s SER 112 N -0.22 6.79 0.06 1.20 0.01 -0.92 -4.52 113.70 116.10 1fwq s SER 112 Ca 0.00 -2.43 -0.23 0.00 1.31 0.00 0.00 55.95 54.60 1fwq s SER 112 Cb 0.00 -2.37 -0.06 0.00 0.21 0.00 0.00 66.02 63.80 1fwq s SER 112 CO 0.00 -0.89 0.68 -0.36 0.41 0.00 0.00 173.24 173.08 1fwq s PHE 113 N 1.93 3.77 0.01 2.43 0.08 -0.96 -4.63 117.98 120.61 1fwq s PHE 113 Ca 0.33 1.39 0.07 0.00 0.12 0.00 0.00 56.93 58.84 1fwq s PHE 113 Cb -0.05 -2.68 -0.02 0.00 -0.57 0.00 0.00 43.02 39.70 1fwq s PHE 113 CO -0.07 0.41 -0.21 0.71 -0.10 0.00 0.00 175.22 175.96 1fwq s TYR 114 N -0.54 1.86 -0.50 0.36 2.02 -0.54 -0.63 117.35 119.38 1fwq s TYR 114 Ca 0.34 -0.36 0.03 0.00 -0.37 0.00 0.00 57.07 56.71 1fwq s TYR 114 Cb -0.20 -1.16 0.14 0.00 -0.40 0.00 0.00 41.96 40.33 1fwq s TYR 114 CO 0.21 0.02 0.27 0.08 -1.57 0.00 0.00 175.55 174.57 1fwq s VAL 115 N -0.62 2.04 -0.34 0.71 1.01 -0.67 -1.17 120.40 121.35 1fwq s VAL 115 Ca 0.08 -3.05 -0.30 0.00 0.00 0.00 0.00 61.98 58.71 1fwq s VAL 115 Cb -0.08 -2.41 -0.13 0.00 0.00 0.00 0.00 36.38 33.76 1fwq s VAL 115 CO 0.00 -0.87 1.35 0.00 0.00 0.00 0.00 175.10 175.58 1fwq n ALA 116 N 3.20 -0.13 -0.47 5.51 0.00 -0.30 -1.66 120.51 126.66 1fwq n ALA 116 Ca 0.08 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1fwq n ALA 116 Cb 0.34 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1fwq n ALA 116 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1fwq n LEU 117 N 4.45 0.00 0.17 0.00 7.99 -1.06 -1.57 117.00 126.98 1fwq n LEU 117 Ca 0.33 0.77 0.08 0.00 -0.01 0.00 0.00 56.01 57.17 1fwq n LEU 117 Cb -0.03 -0.27 0.42 0.00 -0.11 0.00 0.00 43.42 43.43 1fwq n LEU 117 CO 0.60 -0.27 0.82 -0.33 -1.51 0.00 0.00 177.39 176.70 1fwq h GLU 118 N 0.00 0.00 -0.81 3.23 5.08 -1.88 0.75 114.58 120.95 1fwq h GLU 118 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1fwq h GLU 118 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1fwq h GLU 118 CO 0.00 0.00 0.06 -2.13 -1.00 0.00 0.00 179.01 175.94 1fwq n ARG 119 N -2.13 2.90 -3.90 2.33 0.63 -0.61 -4.88 116.66 111.00 1fwq n ARG 119 Ca -0.01 -1.70 -0.09 0.00 -0.92 0.00 0.00 57.85 55.13 1fwq n ARG 119 Cb 0.27 -1.87 -0.04 0.00 0.45 0.00 0.00 32.46 31.26 1fwq n ARG 119 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1fwq s VAL 120 N -1.93 0.01 0.53 5.15 -7.23 0.25 -4.79 120.40 112.40 1fwq s VAL 120 Ca 0.30 -1.15 0.01 0.00 -1.81 0.00 0.00 61.98 59.32 1fwq s VAL 120 Cb 0.23 -1.95 0.02 0.00 0.56 0.00 0.00 36.38 35.24 1fwq s VAL 120 CO 0.08 -0.06 0.76 -0.55 -0.31 0.00 0.00 175.10 175.02 1fwq s SER 121 N -2.95 5.40 -0.26 4.85 0.15 -0.35 -4.84 113.70 115.70 1fwq s SER 121 Ca 0.16 0.09 -0.05 0.00 0.70 0.00 0.00 55.95 56.86 1fwq s SER 121 Cb -0.01 -1.06 0.14 0.00 -1.71 0.00 0.00 66.02 63.38 1fwq s SER 121 CO 0.04 -1.05 0.50 -1.00 1.20 0.00 0.00 173.24 172.93 1fwq s HIS 122 N -2.74 -1.13 0.00 3.44 3.76 -1.25 -1.50 115.29 115.87 1fwq s HIS 122 Ca 0.55 1.54 0.00 0.00 -0.15 0.00 0.00 55.06 57.00 1fwq s HIS 122 Cb -0.10 0.39 0.00 0.00 1.11 0.00 0.00 32.58 33.98 1fwq s HIS 122 CO 0.39 -0.69 0.29 0.39 -0.85 0.00 0.00 174.74 174.26