#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2diy s SER 2 N 0.00 -0.47 0.13 1.61 0.15 -1.26 -5.18 113.70 108.68 2diy s SER 2 Ca 0.00 0.21 -0.10 0.00 0.70 0.00 0.00 55.95 56.77 2diy s SER 2 Cb 0.00 1.36 -0.00 0.00 -1.71 0.00 0.00 66.02 65.67 2diy s SER 2 CO 0.00 -0.09 0.26 -0.44 1.20 0.00 0.00 173.24 174.17 2diy s SER 3 N 2.95 0.05 -0.49 5.45 0.01 -1.26 -5.12 113.70 115.29 2diy s SER 3 Ca 0.07 -0.71 0.03 0.00 1.31 0.00 0.00 55.95 56.66 2diy s SER 3 Cb -0.08 0.40 0.15 0.00 0.21 0.00 0.00 66.02 66.70 2diy s SER 3 CO -0.15 -0.82 0.32 -0.83 0.41 0.00 0.00 173.24 172.18 2diy s GLY 4 N -2.90 1.78 0.28 3.44 0.00 -1.26 -4.98 107.32 103.68 2diy s GLY 4 Ca 0.10 -2.79 0.07 0.00 0.00 0.00 0.00 44.72 42.10 2diy s GLY 4 CO -0.06 1.63 1.35 -1.26 0.00 0.00 0.00 173.10 174.75 2diy n SER 5 N 3.04 0.04 -3.80 1.64 2.88 -1.26 -4.76 113.62 111.39 2diy n SER 5 Ca 0.17 1.44 -0.27 0.00 -1.33 0.00 0.00 58.87 58.88 2diy n SER 5 Cb 0.38 -0.59 0.04 0.00 -0.75 0.00 0.00 64.21 63.30 2diy n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2diy n SER 6 N -5.13 -4.39 0.00 -3.46 2.88 -1.26 -4.38 113.62 97.88 2diy n SER 6 Ca 0.24 -0.74 0.00 0.00 -1.33 0.00 0.00 58.87 57.05 2diy n SER 6 Cb 0.81 -4.18 0.00 0.00 -0.75 0.00 0.00 64.21 60.09 2diy n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2diy n GLY 7 N -1.72 0.24 3.55 0.46 0.00 -1.26 -5.03 105.19 101.43 2diy n GLY 7 Ca -0.03 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 44.67 2diy n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2diy s MET 8 N 0.00 0.75 0.59 1.61 1.00 -1.26 -5.17 119.30 116.81 2diy s MET 8 Ca 0.00 0.91 -0.08 0.00 0.00 0.00 0.00 55.69 56.52 2diy s MET 8 Cb 0.00 0.35 -0.01 0.00 0.00 0.00 0.00 34.83 35.17 2diy s MET 8 CO 0.00 -0.09 0.93 0.00 0.00 0.00 0.00 175.02 175.86 2diy s ALA 9 N 0.41 3.22 -0.17 3.03 0.00 -1.26 -5.08 121.76 121.91 2diy s ALA 9 Ca -0.01 -0.47 0.01 0.00 0.00 0.00 0.00 51.96 51.49 2diy s ALA 9 Cb -0.05 -2.76 0.03 0.00 0.00 0.00 0.00 23.12 20.34 2diy s ALA 9 CO -0.00 -0.73 -0.14 0.00 0.00 0.00 0.00 175.76 174.89 2diy s ALA 10 N -3.03 2.01 -0.30 0.00 0.00 -1.26 -4.98 121.76 114.20 2diy s ALA 10 Ca 0.53 -1.07 0.04 0.00 0.00 0.00 0.00 51.96 51.46 2diy s ALA 10 Cb -0.11 -1.15 0.32 0.00 0.00 0.00 0.00 23.12 22.18 2diy s ALA 10 CO 0.48 -0.51 1.43 0.41 0.00 0.00 0.00 175.76 177.58 2diy n GLY 11 N 4.71 -1.78 3.59 0.00 0.00 -1.26 -5.16 105.19 105.29 2diy n GLY 11 Ca -0.17 0.95 -0.13 0.00 0.00 0.00 0.00 46.02 46.67 2diy n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2diy s ALA 12 N 0.00 -1.87 0.35 4.61 0.00 -1.26 -5.19 121.76 118.40 2diy s ALA 12 Ca 0.19 1.71 0.04 0.00 0.00 0.00 0.00 51.96 53.91 2diy s ALA 12 Cb 0.29 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 2diy s ALA 12 CO -0.22 -0.31 0.17 0.00 0.00 0.00 0.00 175.76 175.41 2diy s ALA 13 N -0.39 2.27 -0.19 0.00 0.00 -1.26 -5.17 121.76 117.02 2diy s ALA 13 Ca -0.02 -1.65 -0.11 0.00 0.00 0.00 0.00 51.96 50.18 2diy s ALA 13 Cb -0.03 1.08 0.06 0.00 0.00 0.00 0.00 23.12 24.24 2diy s ALA 13 CO 0.01 -0.48 0.46 -1.21 0.00 0.00 0.00 175.76 174.54 2diy s GLU 14 N -3.70 0.45 0.45 0.00 0.41 -1.26 -5.17 118.70 109.88 2diy s GLU 14 Ca 0.33 0.87 0.07 0.00 -0.41 0.00 0.00 54.97 55.82 2diy s GLU 14 Cb 0.04 0.01 -0.02 0.00 -1.78 0.00 0.00 34.13 32.37 2diy s GLU 14 CO 0.19 -0.16 0.27 0.00 -0.49 0.00 0.00 175.26 175.07 2diy s ALA 15 N 1.43 3.91 -0.17 5.21 0.00 -1.26 -5.13 121.76 125.75 2diy s ALA 15 Ca -0.10 -1.78 0.01 0.00 0.00 0.00 0.00 51.96 50.09 2diy s ALA 15 Cb -0.08 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.48 2diy s ALA 15 CO -0.14 -0.24 -0.17 0.00 0.00 0.00 0.00 175.76 175.21 2diy s ALA 16 N -2.62 2.12 -0.06 0.00 0.00 -1.26 -5.12 121.76 114.81 2diy s ALA 16 Ca 0.39 -1.08 0.06 0.00 0.00 0.00 0.00 51.96 51.33 2diy s ALA 16 Cb 0.01 -1.13 -0.01 0.00 0.00 0.00 0.00 23.12 21.99 2diy s ALA 16 CO 0.22 -0.37 -0.25 0.08 0.00 0.00 0.00 175.76 175.45 2diy s VAL 17 N 1.38 2.03 -0.44 0.00 1.01 -1.26 -5.03 120.40 118.09 2diy s VAL 17 Ca 0.05 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 61.02 2diy s VAL 17 Cb -0.13 -1.72 0.44 0.00 0.00 0.00 0.00 36.38 34.97 2diy s VAL 17 CO -0.12 0.56 1.42 0.00 0.00 0.00 0.00 175.10 176.96 2diy n ALA 18 N 3.04 5.42 -2.57 5.51 0.00 -1.26 -5.00 120.51 125.65 2diy n ALA 18 Ca -0.18 -3.84 -0.28 0.00 0.00 0.00 0.00 53.44 49.15 2diy n ALA 18 Cb 0.52 -0.79 -0.10 0.00 0.00 0.00 0.00 19.45 19.09 2diy n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2diy s ALA 19 N -3.67 2.94 -0.18 0.00 0.00 -1.26 -4.24 121.76 115.34 2diy s ALA 19 Ca 0.54 -1.40 -0.27 0.00 0.00 0.00 0.00 51.96 50.83 2diy s ALA 19 Cb 0.43 -0.78 -0.00 0.00 0.00 0.00 0.00 23.12 22.76 2diy s ALA 19 CO -0.04 0.52 0.94 0.08 0.00 0.00 0.00 175.76 177.26 2diy s VAL 20 N -1.53 4.79 0.41 0.00 1.01 -1.26 -4.67 120.40 119.14 2diy s VAL 20 Ca 0.23 1.84 -0.23 0.00 0.00 0.00 0.00 61.98 63.83 2diy s VAL 20 Cb -0.10 -4.23 -0.09 0.00 0.00 0.00 0.00 36.38 31.96 2diy s VAL 20 CO 0.14 -0.06 1.01 -1.61 0.00 0.00 0.00 175.10 174.59 2diy s GLU 21 N 2.55 4.18 -0.36 2.72 2.02 -0.09 -4.87 118.70 124.85 2diy s GLU 21 Ca 0.42 1.39 -0.10 0.00 0.02 0.00 0.00 54.97 56.69 2diy s GLU 21 Cb -0.16 -2.44 0.03 0.00 0.10 0.00 0.00 34.13 31.66 2diy s GLU 21 CO 0.11 -0.10 0.18 -2.00 0.02 0.00 0.00 175.26 173.46 2diy s GLU 22 N -2.68 2.83 -0.29 1.61 2.56 -1.26 -0.50 118.70 120.96 2diy s GLU 22 Ca 0.59 -1.07 -0.15 0.00 0.00 0.00 0.00 54.97 54.34 2diy s GLU 22 Cb -0.18 -3.66 -0.03 0.00 2.00 0.00 0.00 34.13 32.26 2diy s GLU 22 CO 0.23 -0.67 0.39 0.08 -0.56 0.00 0.00 175.26 174.73 2diy s VAL 23 N 1.53 5.15 -0.14 3.70 1.01 0.62 -4.93 120.40 127.34 2diy s VAL 23 Ca 0.01 0.43 0.15 0.00 0.00 0.00 0.00 61.98 62.58 2diy s VAL 23 Cb -0.19 -3.76 0.31 0.00 0.00 0.00 0.00 36.38 32.75 2diy s VAL 23 CO 0.06 0.06 1.16 0.61 0.00 0.00 0.00 175.10 176.99 2diy n GLY 24 N 4.76 4.47 3.57 4.51 0.00 -1.26 -3.33 105.19 117.91 2diy n GLY 24 Ca -0.08 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 2diy n GLY 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2diy s SER 25 N -2.80 -0.47 0.25 1.61 1.04 -1.26 -4.81 113.70 107.26 2diy s SER 25 Ca 0.31 0.57 -0.04 0.00 0.48 0.00 0.00 55.95 57.27 2diy s SER 25 Cb 0.29 0.47 0.30 0.00 0.10 0.00 0.00 66.02 67.17 2diy s SER 25 CO -0.01 -0.39 1.82 0.00 0.98 0.00 0.00 173.24 175.64 2diy h ALA 26 N 2.93 1.17 -0.42 5.32 0.00 -1.96 -2.93 119.26 123.36 2diy h ALA 26 Ca -0.22 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.57 2diy h ALA 26 Cb 1.16 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 2diy h ALA 26 CO 0.30 0.60 0.10 0.78 0.00 0.00 0.00 179.25 181.03 2diy h GLY 27 N 1.08 0.51 0.71 0.00 0.00 -1.97 0.30 103.07 103.71 2diy h GLY 27 Ca 0.24 -0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.55 2diy h GLY 27 CO -0.02 -0.03 -0.12 -1.61 0.00 0.00 0.00 176.54 174.76 2diy h GLN 28 N 0.24 -0.21 0.74 4.80 4.15 -1.94 0.20 115.11 123.10 2diy h GLN 28 Ca 0.20 0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.60 2diy h GLN 28 Cb 0.24 0.05 0.01 0.00 0.21 0.00 0.00 27.48 27.98 2diy h GLN 28 CO -0.25 -0.14 -0.36 0.35 -1.93 0.00 0.00 178.83 176.50 2diy h PHE 29 N -0.21 -0.93 -0.98 3.99 3.57 -1.38 0.17 116.94 121.16 2diy h PHE 29 Ca 0.04 -0.02 0.27 0.00 3.53 0.00 0.00 57.97 61.79 2diy h PHE 29 Cb 0.26 0.31 -0.05 0.00 2.79 0.00 0.00 35.95 39.26 2diy h PHE 29 CO -0.17 -0.58 0.69 0.93 -2.23 0.00 0.00 178.31 176.95 2diy h GLU 30 N -1.13 0.12 0.08 1.11 5.08 -0.41 -0.12 114.58 119.30 2diy h GLU 30 Ca -0.10 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2diy h GLU 30 Cb 0.77 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2diy h GLU 30 CO 0.17 0.08 -0.04 1.49 -1.00 0.00 0.00 179.01 179.71 2diy h GLU 31 N 0.12 -0.10 -0.84 2.33 4.81 -0.37 -3.32 114.58 117.21 2diy h GLU 31 Ca 0.49 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.86 2diy h GLU 31 Cb 1.72 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 31.03 2diy h GLU 31 CO -0.07 0.44 0.44 1.25 -0.73 0.00 0.00 179.01 180.33 2diy h LEU 32 N -0.90 0.56 -0.77 1.64 5.85 0.45 -2.18 115.31 119.96 2diy h LEU 32 Ca -0.01 0.08 0.15 0.00 0.84 0.00 0.00 57.88 58.94 2diy h LEU 32 Cb 0.58 -0.01 -0.14 0.00 0.37 0.00 0.00 40.66 41.46 2diy h LEU 32 CO 0.02 0.26 -0.21 0.18 -0.34 0.00 0.00 178.44 178.35 2diy n LEU 33 N -4.84 -0.30 0.22 2.25 4.77 -0.16 0.05 117.00 118.98 2diy n LEU 33 Ca 0.16 1.33 -0.13 0.00 -0.03 0.00 0.00 56.01 57.34 2diy n LEU 33 Cb 0.40 -0.39 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 2diy n LEU 33 CO 0.22 -1.27 0.48 0.03 -1.33 0.00 0.00 177.39 175.52 2diy h ARG 34 N 0.00 -0.57 -0.14 3.23 3.08 -1.56 -2.57 114.38 115.85 2diy h ARG 34 Ca 0.36 0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.48 2diy h ARG 34 Cb 0.55 0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.68 2diy h ARG 34 CO -0.79 -0.26 -0.45 -0.07 -1.07 0.00 0.00 179.97 177.33 2diy h LEU 35 N -0.93 -1.44 -3.24 3.04 -0.00 -0.56 -0.29 115.31 111.88 2diy h LEU 35 Ca -0.06 0.17 -0.15 0.00 -0.00 0.00 0.00 57.88 57.84 2diy h LEU 35 Cb 0.57 0.57 -0.06 0.00 -0.00 0.00 0.00 40.66 41.73 2diy h LEU 35 CO 0.10 -0.39 0.18 0.29 -0.00 0.00 0.00 178.44 178.62 2diy n LYS 36 N -4.92 1.38 -0.03 1.13 4.76 0.11 -4.34 118.16 116.25 2diy n LYS 36 Ca -0.05 -0.73 -0.14 0.00 -2.87 0.00 0.00 58.31 54.53 2diy n LYS 36 Cb 0.31 -1.30 -0.11 0.00 -1.84 0.00 0.00 35.03 32.09 2diy n LYS 36 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2diy h ALA 37 N 1.26 0.01 -0.24 7.82 0.00 -0.61 -3.33 119.26 124.17 2diy h ALA 37 Ca 0.14 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2diy h ALA 37 Cb 0.96 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2diy h ALA 37 CO 0.35 -0.13 0.13 0.87 0.00 0.00 0.00 179.25 180.47 2diy h LYS 38 N -0.65 0.34 0.00 0.00 1.57 -1.80 -1.21 116.57 114.83 2diy h LYS 38 Ca -0.00 -0.04 -0.35 0.00 -1.87 0.00 0.00 60.65 58.38 2diy h LYS 38 Cb 0.71 -0.06 0.16 0.00 0.08 0.00 0.00 32.23 33.12 2diy h LYS 38 CO 0.01 0.32 0.21 -1.13 -0.57 0.00 0.00 179.45 178.29 2diy n SER 39 N -4.85 -1.10 -4.53 0.86 3.41 -1.25 -4.86 113.62 101.30 2diy n SER 39 Ca -0.03 -1.22 -0.41 0.00 -0.26 0.00 0.00 58.87 56.96 2diy n SER 39 Cb 0.08 -0.87 -0.10 0.00 -0.26 0.00 0.00 64.21 63.06 2diy n SER 39 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2diy s LEU 40 N 0.00 4.56 -0.09 1.04 2.96 -1.26 -4.59 118.68 121.30 2diy s LEU 40 Ca 0.63 -0.44 -0.14 0.00 -0.22 0.00 0.00 54.13 53.95 2diy s LEU 40 Cb -0.04 -2.16 -0.05 0.00 0.50 0.00 0.00 46.19 44.44 2diy s LEU 40 CO 0.46 -0.26 0.35 -0.22 -1.32 0.00 0.00 176.35 175.37 2diy s LEU 41 N 1.74 4.35 -0.27 -0.68 2.96 -1.10 -0.34 118.68 125.34 2diy s LEU 41 Ca 0.06 0.72 0.02 0.00 -0.22 0.00 0.00 54.13 54.72 2diy s LEU 41 Cb -0.17 -2.48 0.07 0.00 0.50 0.00 0.00 46.19 44.11 2diy s LEU 41 CO 0.11 0.19 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.59 2diy s VAL 42 N -0.20 1.86 -0.48 1.68 1.01 0.13 -1.82 120.40 122.59 2diy s VAL 42 Ca 0.21 -1.60 -0.18 0.00 0.00 0.00 0.00 61.98 60.41 2diy s VAL 42 Cb -0.15 -2.13 0.06 0.00 0.00 0.00 0.00 36.38 34.16 2diy s VAL 42 CO 0.08 -0.21 0.51 -0.69 0.00 0.00 0.00 175.10 174.80 2diy s VAL 43 N 1.21 5.04 -0.13 2.92 1.01 -0.51 -0.74 120.40 129.19 2diy s VAL 43 Ca -0.03 -0.65 -0.07 0.00 0.00 0.00 0.00 61.98 61.23 2diy s VAL 43 Cb -0.19 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 2diy s VAL 43 CO -0.07 -0.65 0.11 -2.28 0.00 0.00 0.00 175.10 172.20 2diy s HIS 44 N 2.20 3.46 -0.47 5.22 5.65 -0.58 -0.05 115.29 130.72 2diy s HIS 44 Ca 0.11 0.39 -0.18 0.00 0.25 0.00 0.00 55.06 55.63 2diy s HIS 44 Cb -0.20 -1.97 0.05 0.00 -1.18 0.00 0.00 32.58 29.27 2diy s HIS 44 CO 0.10 0.56 0.53 -0.06 -0.65 0.00 0.00 174.74 175.22 2diy s PHE 45 N -0.62 3.12 0.03 3.88 0.40 0.16 -1.38 117.98 123.57 2diy s PHE 45 Ca 0.12 -0.51 0.02 0.00 -0.60 0.00 0.00 56.93 55.96 2diy s PHE 45 Cb -0.12 -3.24 -0.04 0.00 0.51 0.00 0.00 43.02 40.13 2diy s PHE 45 CO 0.02 -0.87 0.03 1.67 0.70 0.00 0.00 175.22 176.78 2diy s TRP 46 N 2.32 3.13 -0.02 0.36 1.48 -1.11 -3.73 118.94 121.37 2diy s TRP 46 Ca 0.13 0.09 0.04 0.00 -1.06 0.00 0.00 56.10 55.29 2diy s TRP 46 Cb -0.19 -1.65 -0.01 0.00 -1.16 0.00 0.00 33.47 30.46 2diy s TRP 46 CO 0.12 0.50 -0.12 0.00 -4.06 0.00 0.00 176.95 173.39 2diy s ALA 47 N -1.21 1.03 -2.00 2.67 0.00 -1.26 -3.80 121.76 117.18 2diy s ALA 47 Ca 0.23 -0.50 0.13 0.00 0.00 0.00 0.00 51.96 51.83 2diy s ALA 47 Cb -0.12 -0.29 0.81 0.00 0.00 0.00 0.00 23.12 23.51 2diy s ALA 47 CO 0.15 0.23 1.23 -0.35 0.00 0.00 0.00 175.76 177.01 2diy n PRO 48 N 2.93 0.49 -0.02 0.00 -0.04 -1.26 -3.36 135.00 133.74 2diy n PRO 48 Ca -0.15 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.25 2diy n PRO 48 Cb 0.55 -1.43 -0.02 0.00 -0.04 0.00 0.00 33.50 32.56 2diy n PRO 48 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2diy n TRP 49 N -0.93 0.00 -1.67 0.54 4.27 -1.26 -5.00 117.44 113.38 2diy n TRP 49 Ca 0.10 0.00 -0.45 0.00 -3.89 0.00 0.00 57.50 53.27 2diy n TRP 49 Cb 0.05 -0.18 -0.04 0.00 -1.36 0.00 0.00 31.31 29.78 2diy n TRP 49 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2diy n ALA 50 N -3.28 1.46 0.05 -1.67 0.00 -1.21 -4.88 120.51 110.98 2diy n ALA 50 Ca -0.10 0.28 -0.05 0.00 0.00 0.00 0.00 53.44 53.57 2diy n ALA 50 Cb 0.53 -2.58 0.16 0.00 0.00 0.00 0.00 19.45 17.56 2diy n ALA 50 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2diy h PRO 51 N 9.34 0.37 -0.53 0.00 0.13 -1.95 -3.19 132.00 136.17 2diy h PRO 51 Ca -0.48 -0.19 0.09 0.00 -0.87 0.00 0.00 66.00 64.54 2diy h PRO 51 Cb 1.25 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.32 2diy h PRO 51 CO 0.94 0.75 0.15 1.96 -0.23 0.00 0.00 178.00 181.57 2diy h GLN 52 N 0.30 0.30 0.00 0.86 7.50 -1.95 0.18 115.11 122.31 2diy h GLN 52 Ca 0.02 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2diy h GLN 52 Cb 0.91 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 28.37 2diy h GLN 52 CO 0.08 0.20 0.26 0.00 -1.50 0.00 0.00 178.83 177.86 2diy h ALA 54 N 1.46 -1.07 -0.68 0.00 0.00 -0.77 -1.59 119.26 116.61 2diy h ALA 54 Ca 0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2diy h ALA 54 Cb 0.52 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2diy h ALA 54 CO 0.00 -1.05 0.18 -0.56 0.00 0.00 0.00 179.25 177.81 2diy h GLN 55 N -0.32 1.08 -0.69 0.00 3.07 -1.60 -2.46 115.11 114.19 2diy h GLN 55 Ca -0.03 -0.25 0.17 0.00 0.09 0.00 0.00 58.65 58.63 2diy h GLN 55 Cb 0.24 -0.14 -0.04 0.00 0.08 0.00 0.00 27.48 27.62 2diy h GLN 55 CO 0.05 0.96 0.48 0.52 0.09 0.00 0.00 178.83 180.93 2diy h MET 56 N 1.01 0.16 -0.05 0.06 2.86 -1.46 -0.69 114.93 116.83 2diy h MET 56 Ca 0.21 -0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.72 2diy h MET 56 Cb 0.35 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 31.98 2diy h MET 56 CO 0.00 0.11 -0.45 -0.97 1.06 0.00 0.00 176.91 176.66 2diy h ASN 57 N 0.17 0.48 -0.64 1.22 -1.24 -0.81 -3.09 115.58 111.67 2diy h ASN 57 Ca 0.34 -0.69 0.00 0.00 0.71 0.00 0.00 56.30 56.66 2diy h ASN 57 Cb 1.09 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 39.96 2diy h ASN 57 CO -0.06 1.10 0.42 -0.33 -1.29 0.00 0.00 177.43 177.27 2diy h GLU 58 N -0.10 0.85 -0.55 6.67 5.08 -1.03 -2.64 114.58 122.85 2diy h GLU 58 Ca -0.04 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.32 2diy h GLU 58 Cb 1.12 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 30.13 2diy h GLU 58 CO 0.09 0.57 0.26 0.28 -1.00 0.00 0.00 179.01 179.21 2diy h VAL 59 N 0.87 0.91 -0.05 3.13 2.07 -1.25 -2.73 116.25 119.20 2diy h VAL 59 Ca 0.23 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.62 2diy h VAL 59 Cb -0.09 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.00 2diy h VAL 59 CO -0.05 0.09 -0.33 0.24 0.02 0.00 0.00 177.57 177.54 2diy h MET 60 N 0.50 -0.43 -0.82 1.57 2.86 -1.38 -2.48 114.93 114.73 2diy h MET 60 Ca 0.25 0.03 0.10 0.00 -2.06 0.00 0.00 59.70 58.02 2diy h MET 60 Cb 0.20 0.10 -0.12 0.00 0.06 0.00 0.00 31.60 31.84 2diy h MET 60 CO -0.20 -0.29 -0.40 0.00 1.06 0.00 0.00 176.91 177.09 2diy n ALA 61 N -2.80 -0.30 0.29 6.32 0.00 -1.03 -0.85 120.51 122.14 2diy n ALA 61 Ca -0.04 0.76 -0.16 0.00 0.00 0.00 0.00 53.44 54.00 2diy n ALA 61 Cb 0.33 -0.25 -0.09 0.00 0.00 0.00 0.00 19.45 19.44 2diy n ALA 61 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2diy h GLU 62 N 0.00 -0.89 -0.97 0.00 3.07 -1.48 -3.00 114.58 111.31 2diy h GLU 62 Ca 0.21 0.06 0.10 0.00 -0.50 0.00 0.00 59.36 59.24 2diy h GLU 62 Cb 0.42 0.20 -0.13 0.00 -0.84 0.00 0.00 28.75 28.40 2diy h GLU 62 CO -0.79 -0.60 -0.54 -0.07 -1.40 0.00 0.00 179.01 175.61 2diy h LEU 63 N -0.93 -1.98 -1.22 1.33 3.38 -0.64 0.83 115.31 116.08 2diy h LEU 63 Ca -0.06 0.32 0.43 0.00 0.09 0.00 0.00 57.88 58.65 2diy h LEU 63 Cb 0.79 0.90 -0.15 0.00 0.09 0.00 0.00 40.66 42.29 2diy h LEU 63 CO -0.02 -0.25 0.72 0.00 0.09 0.00 0.00 178.44 178.98 2diy h ALA 64 N 0.68 2.48 -0.07 1.53 0.00 -0.97 0.63 119.26 123.55 2diy h ALA 64 Ca 0.20 0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.24 2diy h ALA 64 Cb 0.46 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2diy h ALA 64 CO -0.93 -1.18 -0.15 0.87 0.00 0.00 0.00 179.25 177.86 2diy h LYS 65 N 0.07 0.21 -0.73 0.00 1.57 0.76 -3.26 116.57 115.18 2diy h LYS 65 Ca 0.84 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 59.47 2diy h LYS 65 Cb 2.42 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 34.72 2diy h LYS 65 CO -0.57 0.74 0.45 1.49 -0.57 0.00 0.00 179.45 181.00 2diy h GLU 66 N -0.28 0.99 -3.60 3.15 4.57 0.84 -3.34 114.58 116.91 2diy h GLU 66 Ca 0.00 -0.08 -0.72 0.00 -1.18 0.00 0.00 59.36 57.38 2diy h GLU 66 Cb 0.74 -0.21 -0.33 0.00 -0.16 0.00 0.00 28.75 28.79 2diy h GLU 66 CO 0.03 0.69 -0.25 -0.51 -1.18 0.00 0.00 179.01 177.80 2diy s LEU 67 N -10.06 5.58 0.31 1.64 1.43 0.66 -4.90 118.68 113.34 2diy s LEU 67 Ca -0.13 -2.89 0.25 0.00 -1.03 0.00 0.00 54.13 50.34 2diy s LEU 67 Cb 0.15 -1.93 1.06 0.00 0.03 0.00 0.00 46.19 45.49 2diy s LEU 67 CO 0.78 -0.40 1.76 1.55 0.23 0.00 0.00 176.35 180.28 2diy h PRO 68 N 7.11 0.00 -0.65 1.29 0.13 -1.69 -2.52 132.00 135.68 2diy h PRO 68 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2diy h PRO 68 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2diy h PRO 68 CO 0.73 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.50 2diy n GLN 69 N -2.39 4.00 -4.39 0.86 -0.00 -1.26 -4.85 117.38 109.35 2diy n GLN 69 Ca 0.02 -2.58 -0.27 0.00 -0.00 0.00 0.00 57.00 54.17 2diy n GLN 69 Cb 0.24 -2.05 -0.11 0.00 -0.00 0.00 0.00 30.24 28.32 2diy n GLN 69 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2diy s VAL 70 N -2.28 2.58 -0.22 -0.39 1.01 -0.95 -3.99 120.40 116.16 2diy s VAL 70 Ca 0.45 -1.95 0.02 0.00 0.00 0.00 0.00 61.98 60.50 2diy s VAL 70 Cb 0.33 -2.26 0.04 0.00 0.00 0.00 0.00 36.38 34.49 2diy s VAL 70 CO 0.16 -0.13 -0.15 -0.44 0.00 0.00 0.00 175.10 174.53 2diy s SER 71 N -2.75 3.78 -0.35 3.32 0.01 0.54 -4.96 113.70 113.28 2diy s SER 71 Ca 0.22 -1.00 -0.09 0.00 1.31 0.00 0.00 55.95 56.40 2diy s SER 71 Cb -0.08 -1.52 0.03 0.00 0.21 0.00 0.00 66.02 64.66 2diy s SER 71 CO 0.11 -0.09 0.16 -0.36 0.41 0.00 0.00 173.24 173.47 2diy s PHE 72 N 1.21 3.24 -0.11 2.43 0.40 -1.26 0.21 117.98 124.10 2diy s PHE 72 Ca -0.02 -1.11 0.03 0.00 -0.60 0.00 0.00 56.93 55.24 2diy s PHE 72 Cb -0.16 -2.36 0.01 0.00 0.51 0.00 0.00 43.02 41.01 2diy s PHE 72 CO -0.09 -0.66 -0.20 0.14 0.70 0.00 0.00 175.22 175.11 2diy s VAL 73 N 1.50 1.81 -0.16 -0.44 -7.23 0.08 -0.91 120.40 115.05 2diy s VAL 73 Ca 0.01 -0.85 -0.05 0.00 -1.81 0.00 0.00 61.98 59.27 2diy s VAL 73 Cb -0.19 -1.60 -0.03 0.00 0.56 0.00 0.00 36.38 35.12 2diy s VAL 73 CO 0.05 0.50 0.01 -1.59 -0.31 0.00 0.00 175.10 173.76 2diy s LYS 74 N 0.62 3.73 0.08 4.82 -2.85 0.34 -1.52 119.74 124.96 2diy s LYS 74 Ca -0.13 -0.42 0.09 0.00 -1.00 0.00 0.00 55.97 54.50 2diy s LYS 74 Cb -0.16 -3.04 -0.03 0.00 -2.06 0.00 0.00 37.83 32.54 2diy s LYS 74 CO 0.04 0.31 -0.23 -1.17 0.10 0.00 0.00 175.35 174.40 2diy s LEU 75 N 0.21 2.39 -0.40 2.77 0.20 -0.48 -0.28 118.68 123.09 2diy s LEU 75 Ca 0.01 -0.59 -0.25 0.00 0.69 0.00 0.00 54.13 54.00 2diy s LEU 75 Cb -0.13 -1.36 0.02 0.00 -0.43 0.00 0.00 46.19 44.29 2diy s LEU 75 CO 0.02 0.23 0.86 -1.61 -0.29 0.00 0.00 176.35 175.56 2diy s GLU 76 N -1.62 3.69 0.14 1.98 2.02 -1.21 -2.74 118.70 120.96 2diy s GLU 76 Ca 0.14 0.32 -0.24 0.00 0.02 0.00 0.00 54.97 55.21 2diy s GLU 76 Cb -0.10 -3.85 -0.01 0.00 0.10 0.00 0.00 34.13 30.27 2diy s GLU 76 CO 0.05 -1.00 1.63 0.00 0.02 0.00 0.00 175.26 175.96 2diy h ALA 77 N 8.67 -0.26 0.00 5.21 0.00 -1.87 0.28 119.26 131.29 2diy h ALA 77 Ca -0.24 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 2diy h ALA 77 Cb 1.08 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 2diy h ALA 77 CO 0.97 -0.73 -0.55 0.93 0.00 0.00 0.00 179.25 179.87 2diy h GLU 78 N -0.33 0.00 -0.47 0.00 3.07 -1.92 -3.29 114.58 111.64 2diy h GLU 78 Ca 0.10 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.83 2diy h GLU 78 Cb 0.48 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.38 2diy h GLU 78 CO -0.33 0.55 -0.24 0.78 -1.40 0.00 0.00 179.01 178.38 2diy h GLY 79 N 3.39 1.07 -6.92 -3.84 0.00 -1.76 -3.37 103.07 91.64 2diy h GLY 79 Ca -0.01 -0.96 -0.61 0.00 0.00 0.00 0.00 47.33 45.75 2diy h GLY 79 CO 0.07 0.87 -0.68 0.14 0.00 0.00 0.00 176.54 176.94 2diy s VAL 80 N -4.64 2.18 -1.43 4.60 1.01 0.93 -4.92 120.40 118.13 2diy s VAL 80 Ca -0.11 -3.75 0.15 0.00 0.00 0.00 0.00 61.98 58.27 2diy s VAL 80 Cb 0.12 -2.45 0.26 0.00 0.00 0.00 0.00 36.38 34.31 2diy s VAL 80 CO 0.87 -1.05 1.41 -0.81 0.00 0.00 0.00 175.10 175.52 2diy n PRO 81 N 2.32 0.21 -0.04 2.72 -0.04 -1.25 -3.06 135.00 135.86 2diy n PRO 81 Ca 0.21 0.15 -0.14 0.00 -0.04 0.00 0.00 63.50 63.68 2diy n PRO 81 Cb 0.38 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.25 2diy n PRO 81 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2diy h GLU 82 N 0.00 0.22 0.09 0.54 4.81 -1.91 -2.74 114.58 115.58 2diy h GLU 82 Ca 0.00 -0.14 -0.15 0.00 -0.13 0.00 0.00 59.36 58.94 2diy h GLU 82 Cb 0.14 0.02 0.02 0.00 0.63 0.00 0.00 28.75 29.55 2diy h GLU 82 CO 0.00 0.72 -0.63 0.28 -0.73 0.00 0.00 179.01 178.65 2diy h VAL 83 N -0.26 1.53 -0.93 0.32 2.07 -1.94 -3.27 116.25 113.77 2diy h VAL 83 Ca 0.00 -2.37 0.19 0.00 0.82 0.00 0.00 66.70 65.34 2diy h VAL 83 Cb 0.71 3.07 -0.08 0.00 -1.52 0.00 0.00 31.29 33.47 2diy h VAL 83 CO 0.03 0.67 0.60 0.28 0.02 0.00 0.00 177.57 179.17 2diy h SER 84 N -0.40 0.56 0.57 0.57 0.02 -1.66 -1.93 113.55 111.28 2diy h SER 84 Ca -0.10 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 2diy h SER 84 Cb 1.45 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 63.95 2diy h SER 84 CO 0.12 0.23 -0.27 -0.33 -1.14 0.00 0.00 176.83 175.44 2diy h GLU 85 N 0.56 -0.74 -0.36 3.45 5.08 -1.56 1.98 114.58 123.00 2diy h GLU 85 Ca 0.49 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.95 2diy h GLU 85 Cb 1.00 0.17 -0.08 0.00 0.50 0.00 0.00 28.75 30.34 2diy h GLU 85 CO -0.23 -0.46 -0.54 -0.22 -1.00 0.00 0.00 179.01 176.57 2diy h LYS 86 N -0.86 -0.41 0.00 2.33 3.64 -1.41 0.16 116.57 120.02 2diy h LYS 86 Ca -0.08 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2diy h LYS 86 Cb 0.62 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 2diy h LYS 86 CO 0.13 -0.27 0.00 0.66 -2.27 0.00 0.00 179.45 177.70 2diy n TYR 87 N -5.39 0.08 -3.57 1.91 4.01 -1.03 -4.92 117.16 108.26 2diy n TYR 87 Ca -0.04 0.02 -0.22 0.00 -0.16 0.00 0.00 57.90 57.51 2diy n TYR 87 Cb 0.35 -0.54 0.08 0.00 -0.31 0.00 0.00 39.34 38.92 2diy n TYR 87 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2diy n GLU 88 N -1.57 -7.48 -2.61 -0.72 1.02 0.63 -4.90 120.64 105.00 2diy n GLU 88 Ca 0.07 0.82 -0.41 0.00 -0.02 0.00 0.00 57.16 57.62 2diy n GLU 88 Cb 0.33 -5.86 -0.03 0.00 -0.02 0.00 0.00 31.44 25.87 2diy n GLU 88 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2diy s ILE 89 N -3.34 3.97 -0.39 -3.67 -1.09 0.13 -4.82 121.20 111.99 2diy s ILE 89 Ca 0.42 -0.49 0.05 0.00 -2.23 0.00 0.00 60.65 58.40 2diy s ILE 89 Cb -0.19 -4.97 0.45 0.00 -1.58 0.00 0.00 42.46 36.18 2diy s ILE 89 CO 0.74 -1.84 1.37 -0.24 -1.23 0.00 0.00 174.94 173.73 2diy n SER 90 N 8.72 5.52 -3.61 3.58 2.88 -1.26 -4.88 113.62 124.57 2diy n SER 90 Ca 0.21 -3.76 -0.15 0.00 -1.33 0.00 0.00 58.87 53.85 2diy n SER 90 Cb 0.50 -0.50 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 2diy n SER 90 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2diy s SER 91 N -3.18 -0.72 0.03 -3.46 0.01 -1.26 -5.18 113.70 99.95 2diy s SER 91 Ca 0.53 1.27 -0.05 0.00 1.31 0.00 0.00 55.95 59.01 2diy s SER 91 Cb 0.43 1.25 -0.01 0.00 0.21 0.00 0.00 66.02 67.90 2diy s SER 91 CO -0.01 -0.32 0.09 0.68 0.41 0.00 0.00 173.24 174.09 2diy s VAL 92 N 0.04 0.13 0.88 3.43 -7.23 -1.26 -4.24 120.40 112.16 2diy s VAL 92 Ca -0.02 -1.05 -0.11 0.00 -1.81 0.00 0.00 61.98 58.98 2diy s VAL 92 Cb -0.04 -0.82 0.12 0.00 0.56 0.00 0.00 36.38 36.21 2diy s VAL 92 CO 0.03 -0.58 1.09 -2.16 -0.31 0.00 0.00 175.10 173.17 2diy s PRO 93 N -2.43 1.35 -0.27 4.82 0.04 -1.26 -4.84 135.00 132.41 2diy s PRO 93 Ca -0.06 0.85 -0.11 0.00 0.04 0.00 0.00 61.00 61.71 2diy s PRO 93 Cb -0.02 -1.82 0.10 0.00 0.04 0.00 0.00 34.50 32.80 2diy s PRO 93 CO -0.04 -2.18 0.60 0.99 0.04 0.00 0.00 177.00 176.41 2diy s THR 94 N -2.93 -0.56 -0.07 1.26 2.01 -1.24 -2.80 115.64 111.30 2diy s THR 94 Ca 0.63 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.68 2diy s THR 94 Cb -0.18 -0.91 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 2diy s THR 94 CO 0.57 0.02 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.07 2diy s PHE 95 N 2.34 2.91 -0.19 4.92 0.40 -0.34 0.37 117.98 128.40 2diy s PHE 95 Ca -0.07 -0.04 -0.00 0.00 -0.60 0.00 0.00 56.93 56.22 2diy s PHE 95 Cb -0.10 -1.72 0.05 0.00 0.51 0.00 0.00 43.02 41.76 2diy s PHE 95 CO -0.18 0.28 -0.06 -0.51 0.70 0.00 0.00 175.22 175.45 2diy s LEU 96 N -0.70 1.95 -0.45 -0.37 1.43 0.92 -1.00 118.68 120.46 2diy s LEU 96 Ca 0.11 -0.83 -0.25 0.00 -1.03 0.00 0.00 54.13 52.13 2diy s LEU 96 Cb -0.11 -1.03 0.02 0.00 0.03 0.00 0.00 46.19 45.10 2diy s LEU 96 CO 0.02 -0.19 0.90 -0.36 0.23 0.00 0.00 176.35 176.95 2diy s PHE 97 N 1.54 2.95 -0.27 0.29 0.40 -0.54 -1.43 117.98 120.92 2diy s PHE 97 Ca -0.01 0.41 -0.06 0.00 -0.60 0.00 0.00 56.93 56.66 2diy s PHE 97 Cb -0.16 -3.87 0.00 0.00 0.51 0.00 0.00 43.02 39.50 2diy s PHE 97 CO -0.08 -1.04 0.05 -0.06 0.70 0.00 0.00 175.22 174.79 2diy s PHE 98 N 3.64 3.10 -0.18 0.36 0.08 -0.76 -2.00 117.98 122.22 2diy s PHE 98 Ca 0.36 -0.93 0.01 0.00 0.12 0.00 0.00 56.93 56.49 2diy s PHE 98 Cb -0.11 -2.21 0.02 0.00 -0.57 0.00 0.00 43.02 40.15 2diy s PHE 98 CO 0.25 -0.55 -0.20 0.15 -0.10 0.00 0.00 175.22 174.77 2diy s LYS 99 N 1.50 2.99 -1.23 0.44 -0.14 -1.05 -2.72 119.74 119.53 2diy s LYS 99 Ca 0.03 -0.83 -0.05 0.00 -1.36 0.00 0.00 55.97 53.76 2diy s LYS 99 Cb -0.16 -2.58 0.01 0.00 -1.68 0.00 0.00 37.83 33.41 2diy s LYS 99 CO 0.01 -0.21 0.72 -1.71 -0.76 0.00 0.00 175.35 173.41 2diy n ASN 100 N 4.62 -5.54 -2.90 2.83 2.85 -0.46 -2.16 115.26 114.50 2diy n ASN 100 Ca -0.21 -0.33 -0.21 0.00 -0.11 0.00 0.00 54.58 53.72 2diy n ASN 100 Cb 0.50 -4.27 0.04 0.00 1.24 0.00 0.00 39.78 37.29 2diy n ASN 100 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 2diy n SER 101 N -2.03 -5.83 -3.33 1.20 3.41 -1.26 -4.98 113.62 100.80 2diy n SER 101 Ca -0.05 -0.32 -0.07 0.00 -0.26 0.00 0.00 58.87 58.18 2diy n SER 101 Cb 0.58 -4.61 -0.07 0.00 -0.26 0.00 0.00 64.21 59.85 2diy n SER 101 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2diy s GLN 102 N -5.74 0.39 0.02 4.33 -0.21 -0.92 -5.07 119.66 112.46 2diy s GLN 102 Ca 0.34 0.65 -0.36 0.00 0.02 0.00 0.00 55.36 56.01 2diy s GLN 102 Cb -0.15 -0.24 -0.15 0.00 1.00 0.00 0.00 33.01 33.47 2diy s GLN 102 CO 0.42 -0.61 1.57 1.17 -2.12 0.00 0.00 175.29 175.72 2diy n LYS 103 N 5.38 1.64 0.00 2.91 4.81 -1.26 -2.53 118.16 129.10 2diy n LYS 103 Ca -0.03 0.60 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 2diy n LYS 103 Cb 0.50 -2.32 0.00 0.00 0.02 0.00 0.00 35.03 33.23 2diy n LYS 103 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 2diy n ILE 104 N 3.57 0.00 -3.88 3.15 -5.35 -0.85 -4.92 119.36 111.09 2diy n ILE 104 Ca 0.20 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.58 2diy n ILE 104 Cb 0.23 0.29 -0.06 0.00 -1.74 0.00 0.00 39.64 38.36 2diy n ILE 104 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2diy s ASP 105 N -2.09 -0.06 -0.28 7.28 2.15 -1.20 -5.05 116.67 117.41 2diy s ASP 105 Ca 0.00 -0.72 -0.20 0.00 0.43 0.00 0.00 52.55 52.06 2diy s ASP 105 Cb 0.00 0.48 0.09 0.00 -0.30 0.00 0.00 42.92 43.20 2diy s ASP 105 CO 0.00 -0.94 0.79 -0.60 -0.17 0.00 0.00 175.17 174.24 2diy s ARG 106 N -3.93 0.67 -0.19 4.34 3.52 -1.26 -1.47 118.95 120.64 2diy s ARG 106 Ca 0.14 1.00 -0.01 0.00 -0.13 0.00 0.00 55.73 56.72 2diy s ARG 106 Cb 0.02 0.22 -0.00 0.00 -1.56 0.00 0.00 34.95 33.63 2diy s ARG 106 CO -0.01 -0.11 -0.12 -1.17 -0.81 0.00 0.00 175.30 173.08 2diy s LEU 107 N 1.05 2.59 -0.13 -0.88 0.20 -0.17 -5.01 118.68 116.32 2diy s LEU 107 Ca -0.05 -0.47 -0.04 0.00 0.69 0.00 0.00 54.13 54.26 2diy s LEU 107 Cb -0.05 -1.62 -0.03 0.00 -0.43 0.00 0.00 46.19 44.06 2diy s LEU 107 CO -0.11 0.03 0.01 -0.62 -0.29 0.00 0.00 176.35 175.37 2diy s ASP 108 N 1.17 5.28 0.00 3.68 -1.08 -1.26 -1.19 116.67 123.27 2diy s ASP 108 Ca 0.01 0.07 0.00 0.00 -0.52 0.00 0.00 52.55 52.12 2diy s ASP 108 Cb -0.14 -1.72 0.00 0.00 -1.46 0.00 0.00 42.92 39.60 2diy s ASP 108 CO -0.04 0.27 0.00 0.61 0.52 0.00 0.00 175.17 176.53 2diy n GLY 109 N 2.88 1.38 3.55 2.66 0.00 -1.12 -4.87 105.19 109.68 2diy n GLY 109 Ca -0.18 -1.74 -0.40 0.00 0.00 0.00 0.00 46.02 43.70 2diy n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2diy s ALA 110 N -2.67 2.61 -0.18 4.61 0.00 -1.26 -4.73 121.76 120.13 2diy s ALA 110 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.65 2diy s ALA 110 Cb 0.00 -4.30 0.04 0.00 0.00 0.00 0.00 23.12 18.86 2diy s ALA 110 CO 0.00 -3.48 -0.07 -1.01 0.00 0.00 0.00 175.76 171.20 2diy s HIS 111 N 6.43 2.05 -0.00 0.00 3.76 -1.26 -5.03 115.29 121.23 2diy s HIS 111 Ca 0.43 -1.34 -0.23 0.00 -0.15 0.00 0.00 55.06 53.77 2diy s HIS 111 Cb -0.08 -1.47 -0.13 0.00 1.11 0.00 0.00 32.58 32.01 2diy s HIS 111 CO 0.13 -0.68 0.95 0.00 -0.85 0.00 0.00 174.74 174.29 2diy h ALA 112 N 8.05 -0.80 0.06 -1.40 0.00 -2.00 -2.93 119.26 120.23 2diy h ALA 112 Ca -0.25 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 2diy h ALA 112 Cb 1.10 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2diy h ALA 112 CO 0.43 -0.75 -0.03 -1.00 0.00 0.00 0.00 179.25 177.91 2diy h PRO 113 N -1.20 -0.07 -1.09 0.00 0.13 -2.00 -3.09 132.00 124.67 2diy h PRO 113 Ca -0.08 0.01 0.30 0.00 -0.87 0.00 0.00 66.00 65.36 2diy h PRO 113 Cb 0.62 0.02 -0.11 0.00 0.13 0.00 0.00 31.00 31.66 2diy h PRO 113 CO 0.13 0.39 0.69 1.49 -0.23 0.00 0.00 178.00 180.47 2diy h GLU 114 N -0.57 0.33 0.63 0.86 4.57 -1.99 -1.46 114.58 116.96 2diy h GLU 114 Ca -0.01 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 2diy h GLU 114 Cb 0.49 -0.07 0.01 0.00 -0.16 0.00 0.00 28.75 29.02 2diy h GLU 114 CO 0.01 0.22 -0.30 1.25 -1.18 0.00 0.00 179.01 179.01 2diy h LEU 115 N 0.34 -0.72 -0.79 1.64 5.85 -1.49 -3.04 115.31 117.11 2diy h LEU 115 Ca 0.65 0.02 0.16 0.00 0.84 0.00 0.00 57.88 59.56 2diy h LEU 115 Cb 1.72 0.19 -0.15 0.00 0.37 0.00 0.00 40.66 42.79 2diy h LEU 115 CO -0.35 -0.38 -0.17 0.74 -0.34 0.00 0.00 178.44 177.93 2diy h THR 116 N -1.11 0.22 -0.21 1.05 2.02 -1.22 0.42 112.91 114.08 2diy h THR 116 Ca -0.09 -0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.12 2diy h THR 116 Cb 0.65 0.21 -0.06 0.00 -1.74 0.00 0.00 68.15 67.21 2diy h THR 116 CO 0.14 0.00 -0.48 0.11 0.37 0.00 0.00 175.52 175.67 2diy h LYS 117 N 0.01 -0.43 -0.34 6.66 1.57 -1.37 0.20 116.57 122.87 2diy h LYS 117 Ca 0.39 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.24 2diy h LYS 117 Cb 0.61 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.97 2diy h LYS 117 CO -0.80 -0.28 0.09 0.87 -0.57 0.00 0.00 179.45 178.76 2diy h LYS 118 N -0.44 0.21 -0.01 3.15 1.57 -1.12 0.64 116.57 120.56 2diy h LYS 118 Ca 0.04 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 2diy h LYS 118 Cb 0.56 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.77 2diy h LYS 118 CO -0.43 0.14 -0.45 0.28 -0.57 0.00 0.00 179.45 178.42 2diy h VAL 119 N 0.21 0.11 0.12 0.50 2.07 -0.15 -1.73 116.25 117.39 2diy h VAL 119 Ca 0.16 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.68 2diy h VAL 119 Cb 0.17 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 2diy h VAL 119 CO -0.20 0.00 -0.09 1.56 0.02 0.00 0.00 177.57 178.87 2diy h GLN 120 N -0.59 -0.21 -0.68 1.57 4.20 -0.42 0.41 115.11 119.39 2diy h GLN 120 Ca 0.04 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.83 2diy h GLN 120 Cb 0.67 0.05 -0.09 0.00 0.30 0.00 0.00 27.48 28.41 2diy h GLN 120 CO -0.34 -0.14 -0.47 -0.09 -0.67 0.00 0.00 178.83 177.13 2diy h ARG 121 N -0.22 -0.08 0.23 1.46 2.43 -0.53 -0.98 114.38 116.69 2diy h ARG 121 Ca -0.01 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2diy h ARG 121 Cb 0.19 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2diy h ARG 121 CO -0.00 -0.05 -0.11 0.45 -1.51 0.00 0.00 179.97 178.75 2diy h HIS 122 N -0.08 -0.28 -1.08 2.20 3.86 -1.26 -3.11 115.15 115.40 2diy h HIS 122 Ca 0.11 -0.01 0.37 0.00 -1.16 0.00 0.00 60.37 59.68 2diy h HIS 122 Cb 0.37 0.09 -0.10 0.00 1.06 0.00 0.00 27.41 28.83 2diy h HIS 122 CO -0.93 0.08 0.70 0.00 0.86 0.00 0.00 177.93 178.64 2diy n ALA 123 N -2.46 1.06 -0.38 2.45 0.00 0.14 -0.67 120.51 120.65 2diy n ALA 123 Ca -0.09 0.64 -0.10 0.00 0.00 0.00 0.00 53.44 53.89 2diy n ALA 123 Cb 0.25 -0.80 -0.09 0.00 0.00 0.00 0.00 19.45 18.81 2diy n ALA 123 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2diy n SER 124 N -4.13 -0.96 -4.48 0.00 2.88 -0.42 -4.41 113.62 102.10 2diy n SER 124 Ca 0.31 1.62 -0.64 0.00 -1.33 0.00 0.00 58.87 58.83 2diy n SER 124 Cb 1.21 -0.21 -0.10 0.00 -0.75 0.00 0.00 64.21 64.35 2diy n SER 124 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2diy n SER 125 N -5.14 1.03 0.00 -3.46 7.64 0.16 -4.59 113.62 109.26 2diy n SER 125 Ca 0.02 1.00 0.00 0.00 1.01 0.00 0.00 58.87 60.89 2diy n SER 125 Cb 0.24 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 2diy n SER 125 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2diy n GLY 126 N 5.08 0.81 3.72 0.23 0.00 -1.26 -4.88 105.19 108.88 2diy n GLY 126 Ca 0.38 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 2diy n GLY 126 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2diy s PRO 127 N -2.00 1.32 -1.65 1.61 0.04 -1.26 -3.64 135.00 129.42 2diy s PRO 127 Ca 0.00 0.84 -0.18 0.00 0.04 0.00 0.00 61.00 61.70 2diy s PRO 127 Cb 0.00 -1.81 0.16 0.00 0.04 0.00 0.00 34.50 32.89 2diy s PRO 127 CO 0.00 -2.20 0.72 -1.13 0.04 0.00 0.00 177.00 174.43 2diy n SER 128 N -3.86 -3.14 -4.52 6.66 3.41 -1.26 -4.78 113.62 106.14 2diy n SER 128 Ca 0.07 -0.94 -0.51 0.00 -0.26 0.00 0.00 58.87 57.23 2diy n SER 128 Cb 0.55 -2.59 -0.05 0.00 -0.26 0.00 0.00 64.21 61.87 2diy n SER 128 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2diy n SER 129 N -2.56 0.45 0.00 4.04 7.64 -1.24 -5.12 113.62 116.83 2diy n SER 129 Ca 0.08 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.10 2diy n SER 129 Cb 0.49 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 2diy n SER 129 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64