#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 2.47 -0.26 1.61 0.15 -1.26 -5.12 113.70 111.29 2diy s SER 2 Ca 0.00 -0.44 -0.19 0.00 0.70 0.00 0.00 55.95 56.02 2diy s SER 2 Cb 0.00 -1.11 0.07 0.00 -1.71 0.00 0.00 66.02 63.27 2diy s SER 2 CO 0.00 0.03 0.68 -0.55 1.20 0.00 0.00 173.24 174.60 2diy s SER 3 N 0.90 -0.82 -0.48 5.45 0.15 -1.26 -5.05 113.70 112.59 2diy s SER 3 Ca -0.08 1.43 -0.03 0.00 0.70 0.00 0.00 55.95 57.97 2diy s SER 3 Cb -0.15 1.37 0.14 0.00 -1.71 0.00 0.00 66.02 65.66 2diy s SER 3 CO -0.00 -0.24 2.53 0.61 1.20 0.00 0.00 173.24 177.34 2diy n GLY 4 N 3.57 4.49 3.39 9.45 0.00 -1.26 -4.96 105.19 119.87 2diy n GLY 4 Ca -0.17 -1.82 -0.52 0.00 0.00 0.00 0.00 46.02 43.51 2diy n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2diy n SER 5 N 0.56 1.52 -4.20 1.61 3.41 -1.26 -4.89 113.62 110.36 2diy n SER 5 Ca 0.47 0.43 -0.37 0.00 -0.26 0.00 0.00 58.87 59.13 2diy n SER 5 Cb 0.53 -1.13 -0.12 0.00 -0.26 0.00 0.00 64.21 63.23 2diy n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2diy s SER 6 N 7.32 5.20 -0.27 4.04 0.01 -1.26 -4.93 113.70 123.81 2diy s SER 6 Ca 1.15 -1.46 0.21 0.00 1.31 0.00 0.00 55.95 57.16 2diy s SER 6 Cb -1.07 -1.82 0.50 0.00 0.21 0.00 0.00 66.02 63.85 2diy s SER 6 CO 0.53 -0.39 1.11 0.61 0.41 0.00 0.00 173.24 175.52 2diy n GLY 7 N 4.70 2.22 3.19 3.44 0.00 -1.26 -5.00 105.19 112.48 2diy n GLY 7 Ca -0.10 -1.22 -0.40 0.00 0.00 0.00 0.00 46.02 44.30 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 -3.77 3.26 0.12 1.61 1.00 -1.26 -5.04 119.30 115.22 2diy s MET 8 Ca 0.29 -2.85 0.07 0.00 0.00 0.00 0.00 55.69 53.20 2diy s MET 8 Cb 0.33 -4.08 -0.04 0.00 0.00 0.00 0.00 34.83 31.05 2diy s MET 8 CO -0.03 -1.24 -0.18 0.00 0.00 0.00 0.00 175.02 173.57 2diy s ALA 9 N -0.59 1.71 -0.83 3.03 0.00 -1.26 -5.06 121.76 118.75 2diy s ALA 9 Ca 0.22 -1.30 -0.25 0.00 0.00 0.00 0.00 51.96 50.64 2diy s ALA 9 Cb -0.12 -0.17 -0.07 0.00 0.00 0.00 0.00 23.12 22.75 2diy s ALA 9 CO -0.08 0.24 2.09 0.00 0.00 0.00 0.00 175.76 178.01 2diy s ALA 10 N -1.65 1.42 -0.39 0.00 0.00 -1.26 -4.89 121.76 114.99 2diy s ALA 10 Ca 0.09 -1.19 0.04 0.00 0.00 0.00 0.00 51.96 50.90 2diy s ALA 10 Cb -0.08 -4.54 0.11 0.00 0.00 0.00 0.00 23.12 18.62 2diy s ALA 10 CO 0.04 -5.05 0.11 0.20 0.00 0.00 0.00 175.76 171.06 2diy s GLY 11 N 9.00 2.08 -0.72 0.00 0.00 -1.26 -5.05 107.32 111.36 2diy s GLY 11 Ca 0.77 -2.75 -0.17 0.00 0.00 0.00 0.00 44.72 42.57 2diy s GLY 11 CO 0.04 0.97 0.80 0.00 0.00 0.00 0.00 173.10 174.91 2diy s ALA 12 N 0.55 3.59 -0.30 3.20 0.00 -1.26 -4.96 121.76 122.58 2diy s ALA 12 Ca 0.13 -2.64 -0.14 0.00 0.00 0.00 0.00 51.96 49.31 2diy s ALA 12 Cb -0.21 -3.62 0.14 0.00 0.00 0.00 0.00 23.12 19.43 2diy s ALA 12 CO -0.06 -2.45 0.84 0.00 0.00 0.00 0.00 175.76 174.10 2diy s ALA 13 N 1.99 -2.31 0.32 0.00 0.00 -1.26 -5.18 121.76 115.32 2diy s ALA 13 Ca 0.17 2.22 0.04 0.00 0.00 0.00 0.00 51.96 54.39 2diy s ALA 13 Cb -0.17 -1.82 -0.06 0.00 0.00 0.00 0.00 23.12 21.07 2diy s ALA 13 CO -0.01 -0.75 0.04 -1.21 0.00 0.00 0.00 175.76 173.84 2diy s GLU 14 N 2.25 1.64 0.67 0.00 2.02 -1.26 -5.15 118.70 118.87 2diy s GLU 14 Ca -0.06 -1.90 -0.11 0.00 0.02 0.00 0.00 54.97 52.92 2diy s GLU 14 Cb -0.07 -0.91 -0.01 0.00 0.10 0.00 0.00 34.13 33.24 2diy s GLU 14 CO -0.18 -0.16 1.05 0.00 0.02 0.00 0.00 175.26 175.99 2diy s ALA 15 N -3.25 2.85 -0.38 5.21 0.00 -1.26 -5.04 121.76 119.88 2diy s ALA 15 Ca 0.36 -0.02 -0.06 0.00 0.00 0.00 0.00 51.96 52.24 2diy s ALA 15 Cb 0.08 -3.13 0.07 0.00 0.00 0.00 0.00 23.12 20.15 2diy s ALA 15 CO 0.15 -1.02 0.17 0.00 0.00 0.00 0.00 175.76 175.06 2diy s ALA 16 N -3.12 3.13 0.24 0.00 0.00 -1.26 -5.08 121.76 115.67 2diy s ALA 16 Ca 0.57 -2.09 0.10 0.00 0.00 0.00 0.00 51.96 50.54 2diy s ALA 16 Cb -0.13 -2.40 -0.05 0.00 0.00 0.00 0.00 23.12 20.55 2diy s ALA 16 CO 0.54 -1.56 -0.18 0.54 0.00 0.00 0.00 175.76 175.10 2diy s VAL 17 N 1.33 2.16 -0.29 0.00 0.11 -1.26 -4.75 120.40 117.68 2diy s VAL 17 Ca 0.02 -2.27 -0.22 0.00 -2.93 0.00 0.00 61.98 56.58 2diy s VAL 17 Cb -0.22 -2.16 0.17 0.00 -1.53 0.00 0.00 36.38 32.65 2diy s VAL 17 CO 0.00 -0.44 1.26 0.00 -3.33 0.00 0.00 175.10 172.59 2diy s ALA 18 N -2.56 -2.25 0.12 1.54 0.00 -1.26 -4.81 121.76 112.53 2diy s ALA 18 Ca 0.25 1.84 0.10 0.00 0.00 0.00 0.00 51.96 54.16 2diy s ALA 18 Cb -0.04 -1.73 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 2diy s ALA 18 CO 0.11 -0.20 -0.25 0.00 0.00 0.00 0.00 175.76 175.42 2diy s ALA 19 N 0.41 2.23 -0.07 0.00 0.00 -1.26 -4.11 121.76 118.96 2diy s ALA 19 Ca 0.02 -1.40 -0.30 0.00 0.00 0.00 0.00 51.96 50.28 2diy s ALA 19 Cb -0.04 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 2diy s ALA 19 CO -0.12 0.50 1.23 0.08 0.00 0.00 0.00 175.76 177.45 2diy s VAL 20 N -1.06 4.20 0.25 0.00 1.01 -1.26 -4.84 120.40 118.70 2diy s VAL 20 Ca 0.12 1.52 -0.28 0.00 0.00 0.00 0.00 61.98 63.33 2diy s VAL 20 Cb -0.10 -3.98 -0.09 0.00 0.00 0.00 0.00 36.38 32.21 2diy s VAL 20 CO 0.05 -0.02 0.92 -1.61 0.00 0.00 0.00 175.10 174.44 2diy s GLU 21 N 2.46 4.76 -0.43 2.72 0.41 -1.08 -4.89 118.70 122.65 2diy s GLU 21 Ca 0.57 1.41 -0.18 0.00 -0.41 0.00 0.00 54.97 56.36 2diy s GLU 21 Cb -0.25 -3.16 0.02 0.00 -1.78 0.00 0.00 34.13 28.97 2diy s GLU 21 CO 0.21 0.47 0.48 -2.00 -0.49 0.00 0.00 175.26 173.93 2diy s GLU 22 N -1.39 3.12 -0.21 1.61 2.12 -1.26 -1.61 118.70 121.07 2diy s GLU 22 Ca 0.43 -0.71 -0.20 0.00 0.36 0.00 0.00 54.97 54.85 2diy s GLU 22 Cb -0.24 -3.97 -0.03 0.00 0.26 0.00 0.00 34.13 30.15 2diy s GLU 22 CO 0.29 -0.90 0.60 0.08 -0.54 0.00 0.00 175.26 174.79 2diy s VAL 23 N 2.27 5.04 -0.11 3.70 1.01 -0.05 -4.93 120.40 127.33 2diy s VAL 23 Ca 0.14 1.11 0.17 0.00 0.00 0.00 0.00 61.98 63.40 2diy s VAL 23 Cb -0.17 -3.91 0.40 0.00 0.00 0.00 0.00 36.38 32.70 2diy s VAL 23 CO 0.14 0.11 1.18 0.61 0.00 0.00 0.00 175.10 177.15 2diy n GLY 24 N 3.91 3.13 3.64 4.51 0.00 -1.26 -4.01 105.19 115.10 2diy n GLY 24 Ca -0.02 -1.04 -0.07 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.58 -0.73 0.17 1.61 1.04 -1.26 -4.88 113.70 107.07 2diy s SER 25 Ca 0.34 1.22 -0.22 0.00 0.48 0.00 0.00 55.95 57.77 2diy s SER 25 Cb 0.36 1.29 0.08 0.00 0.10 0.00 0.00 66.02 67.84 2diy s SER 25 CO -0.10 -0.20 1.61 0.00 0.98 0.00 0.00 173.24 175.53 2diy h ALA 26 N 6.15 -0.09 -0.73 5.32 0.00 -1.96 -1.02 119.26 126.93 2diy h ALA 26 Ca -0.29 0.12 0.15 0.00 0.00 0.00 0.00 54.91 54.89 2diy h ALA 26 Cb 1.20 0.63 -0.10 0.00 0.00 0.00 0.00 17.79 19.52 2diy h ALA 26 CO 0.15 -0.67 0.23 0.78 0.00 0.00 0.00 179.25 179.74 2diy h GLY 27 N -0.21 1.06 0.35 0.00 0.00 -1.98 -0.05 103.07 102.24 2diy h GLY 27 Ca 0.18 -0.08 0.07 0.00 0.00 0.00 0.00 47.33 47.50 2diy h GLY 27 CO -0.52 -0.15 -0.00 -1.61 0.00 0.00 0.00 176.54 174.25 2diy h GLN 28 N 0.34 0.10 0.56 4.80 4.15 -1.61 0.53 115.11 123.98 2diy h GLN 28 Ca 0.41 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.80 2diy h GLN 28 Cb 0.66 -0.02 0.01 0.00 0.21 0.00 0.00 27.48 28.34 2diy h GLN 28 CO -0.46 0.06 -0.27 0.35 -1.93 0.00 0.00 178.83 176.59 2diy h PHE 29 N 0.10 -0.70 -0.99 3.99 3.57 -0.90 -1.31 116.94 120.70 2diy h PHE 29 Ca 0.20 -0.02 0.25 0.00 3.53 0.00 0.00 57.97 61.93 2diy h PHE 29 Cb 0.28 0.23 -0.07 0.00 2.79 0.00 0.00 35.95 39.18 2diy h PHE 29 CO -0.27 -0.43 0.65 0.93 -2.23 0.00 0.00 178.31 176.96 2diy h GLU 30 N -0.98 0.33 -0.22 1.11 5.08 -0.97 0.64 114.58 119.57 2diy h GLU 30 Ca -0.08 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.19 2diy h GLU 30 Cb 0.58 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 2diy h GLU 30 CO 0.13 0.22 -0.13 1.49 -1.00 0.00 0.00 179.01 179.71 2diy h GLU 31 N 0.34 0.47 -0.12 2.33 4.81 0.13 -3.24 114.58 119.30 2diy h GLU 31 Ca 0.53 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 2diy h GLU 31 Cb 1.45 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.81 2diy h GLU 31 CO -0.20 0.77 0.08 1.25 -0.73 0.00 0.00 179.01 180.18 2diy h LEU 32 N 0.17 0.13 -0.77 1.64 5.85 0.29 -2.64 115.31 119.98 2diy h LEU 32 Ca 0.04 -0.01 0.31 0.00 0.84 0.00 0.00 57.88 59.06 2diy h LEU 32 Cb 0.65 -0.03 -0.14 0.00 0.37 0.00 0.00 40.66 41.50 2diy h LEU 32 CO 0.04 0.10 0.35 0.18 -0.34 0.00 0.00 178.44 178.77 2diy n LEU 33 N -5.01 0.21 0.06 2.25 4.77 -0.52 0.29 117.00 119.05 2diy n LEU 33 Ca -0.05 1.29 -0.09 0.00 -0.03 0.00 0.00 56.01 57.13 2diy n LEU 33 Cb 0.03 -0.60 -0.06 0.00 -2.33 0.00 0.00 43.42 40.46 2diy n LEU 33 CO 0.33 -1.42 0.30 0.03 -1.33 0.00 0.00 177.39 175.31 2diy h ARG 34 N 0.00 -0.23 0.02 3.23 3.08 -1.59 -2.78 114.38 116.11 2diy h ARG 34 Ca 0.62 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.72 2diy h ARG 34 Cb 1.60 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 31.66 2diy h ARG 34 CO -0.62 0.13 -0.36 -0.07 -1.07 0.00 0.00 179.97 177.98 2diy h LEU 35 N -0.95 -1.09 -3.30 3.04 3.38 -0.04 -1.24 115.31 115.11 2diy h LEU 35 Ca -0.02 0.14 -0.26 0.00 0.09 0.00 0.00 57.88 57.82 2diy h LEU 35 Cb 0.47 0.43 -0.11 0.00 0.09 0.00 0.00 40.66 41.53 2diy h LEU 35 CO 0.04 -0.42 0.33 0.29 0.09 0.00 0.00 178.44 178.77 2diy n LYS 36 N -5.43 1.64 -0.03 1.13 4.76 0.12 -4.37 118.16 115.98 2diy n LYS 36 Ca -0.05 -1.27 -0.15 0.00 -2.87 0.00 0.00 58.31 53.96 2diy n LYS 36 Cb 0.35 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 31.95 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 1.42 0.17 -0.48 7.82 0.00 -0.92 -3.28 119.26 123.98 2diy h ALA 37 Ca 0.24 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2diy h ALA 37 Cb 1.04 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2diy h ALA 37 CO 0.60 0.27 0.19 0.87 0.00 0.00 0.00 179.25 181.18 2diy h LYS 38 N -0.03 0.72 -6.82 0.00 1.79 -1.81 0.40 116.57 110.83 2diy h LYS 38 Ca -0.02 -0.13 -0.49 0.00 -2.18 0.00 0.00 60.65 57.82 2diy h LYS 38 Cb 1.02 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.55 2diy h LYS 38 CO 0.08 0.65 0.13 -1.12 -1.08 0.00 0.00 179.45 178.11 2diy s SER 39 N -5.96 6.63 -0.07 0.86 0.01 -1.24 -4.81 113.70 109.12 2diy s SER 39 Ca -0.13 1.22 -0.30 0.00 1.31 0.00 0.00 55.95 58.05 2diy s SER 39 Cb 0.11 -2.36 -0.04 0.00 0.21 0.00 0.00 66.02 63.95 2diy s SER 39 CO 0.77 -0.34 1.41 -0.22 0.41 0.00 0.00 173.24 175.28 2diy s LEU 40 N -3.52 4.28 -0.17 2.44 2.96 -1.24 -4.56 118.68 118.86 2diy s LEU 40 Ca 0.53 2.00 -0.13 0.00 -0.22 0.00 0.00 54.13 56.32 2diy s LEU 40 Cb -0.10 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.99 2diy s LEU 40 CO 0.26 -0.78 0.24 -0.22 -1.32 0.00 0.00 176.35 174.53 2diy s LEU 41 N 3.13 4.23 -0.32 -0.68 2.96 -0.77 -1.33 118.68 125.89 2diy s LEU 41 Ca 0.63 0.42 0.03 0.00 -0.22 0.00 0.00 54.13 54.99 2diy s LEU 41 Cb -0.29 -2.29 0.09 0.00 0.50 0.00 0.00 46.19 44.20 2diy s LEU 41 CO 0.23 0.13 0.02 -0.69 -1.32 0.00 0.00 176.35 174.72 2diy s VAL 42 N 0.43 2.40 0.46 1.68 1.01 0.24 -1.27 120.40 125.34 2diy s VAL 42 Ca 0.14 -2.09 -0.17 0.00 0.00 0.00 0.00 61.98 59.86 2diy s VAL 42 Cb -0.12 -2.65 -0.09 0.00 0.00 0.00 0.00 36.38 33.52 2diy s VAL 42 CO 0.02 -0.44 0.92 -0.69 0.00 0.00 0.00 175.10 174.92 2diy s VAL 43 N 0.99 4.54 -0.07 2.92 1.01 -1.00 -1.30 120.40 127.49 2diy s VAL 43 Ca 0.05 1.19 -0.03 0.00 0.00 0.00 0.00 61.98 63.19 2diy s VAL 43 Cb -0.20 -3.68 0.04 0.00 0.00 0.00 0.00 36.38 32.55 2diy s VAL 43 CO -0.06 -0.52 0.14 -2.28 0.00 0.00 0.00 175.10 172.38 2diy s HIS 44 N -2.41 -0.14 -0.20 5.22 5.04 0.58 -2.79 115.29 120.60 2diy s HIS 44 Ca 0.58 0.53 -0.18 0.00 -1.54 0.00 0.00 55.06 54.45 2diy s HIS 44 Cb -0.10 -0.27 -0.03 0.00 0.04 0.00 0.00 32.58 32.22 2diy s HIS 44 CO 0.25 -0.24 0.51 -0.06 -2.34 0.00 0.00 174.74 172.86 2diy s PHE 45 N 2.11 3.38 -0.04 3.88 0.08 0.50 -0.21 117.98 127.68 2diy s PHE 45 Ca 0.02 0.77 0.05 0.00 0.12 0.00 0.00 56.93 57.89 2diy s PHE 45 Cb -0.12 -2.66 -0.01 0.00 -0.57 0.00 0.00 43.02 39.66 2diy s PHE 45 CO -0.05 -0.09 -0.20 1.67 -0.10 0.00 0.00 175.22 176.45 2diy s TRP 46 N 1.58 1.95 -0.03 0.36 1.48 -1.07 -3.53 118.94 119.68 2diy s TRP 46 Ca 0.24 -0.52 0.04 0.00 -1.06 0.00 0.00 56.10 54.81 2diy s TRP 46 Cb -0.15 -1.29 -0.03 0.00 -1.16 0.00 0.00 33.47 30.84 2diy s TRP 46 CO 0.10 -0.14 -0.14 0.00 -4.06 0.00 0.00 176.95 172.70 2diy s ALA 47 N -0.16 2.70 -1.99 2.67 0.00 -1.26 -3.95 121.76 119.76 2diy s ALA 47 Ca -0.01 -1.02 0.16 0.00 0.00 0.00 0.00 51.96 51.09 2diy s ALA 47 Cb -0.11 -0.95 0.93 0.00 0.00 0.00 0.00 23.12 22.99 2diy s ALA 47 CO 0.02 0.57 1.35 -0.35 0.00 0.00 0.00 175.76 177.34 2diy n PRO 48 N 2.08 0.49 -0.02 0.00 -0.04 -1.26 -3.06 135.00 133.19 2diy n PRO 48 Ca -0.17 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.27 2diy n PRO 48 Cb 0.52 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.00 0.00 -2.36 0.54 4.27 -1.26 -5.00 117.44 112.62 2diy n TRP 49 Ca 0.12 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.30 2diy n TRP 49 Cb 0.05 -0.13 -0.03 0.00 -1.36 0.00 0.00 31.31 29.84 2diy n TRP 49 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2diy s ALA 50 N -2.07 3.56 0.12 -1.67 0.00 -1.17 -4.93 121.76 115.60 2diy s ALA 50 Ca -0.05 0.67 -0.13 0.00 0.00 0.00 0.00 51.96 52.45 2diy s ALA 50 Cb 0.01 -3.57 -0.06 0.00 0.00 0.00 0.00 23.12 19.50 2diy s ALA 50 CO 0.08 -0.93 1.45 -1.00 0.00 0.00 0.00 175.76 175.36 2diy h PRO 51 N 7.84 0.82 -0.85 0.00 0.13 -1.95 -3.21 132.00 134.77 2diy h PRO 51 Ca -0.34 -0.43 0.32 0.00 -0.87 0.00 0.00 66.00 64.69 2diy h PRO 51 Cb 1.15 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 32.14 2diy h PRO 51 CO 0.91 1.06 0.33 1.04 -0.23 0.00 0.00 178.00 181.11 2diy n GLN 52 N -4.17 -0.06 -0.28 0.86 6.02 -1.26 0.16 117.38 118.66 2diy n GLN 52 Ca -0.03 1.21 0.12 0.00 -0.01 0.00 0.00 57.00 58.29 2diy n GLN 52 Cb 0.50 -2.09 0.24 0.00 1.02 0.00 0.00 30.24 29.90 2diy n GLN 52 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2diy h ALA 54 N 1.61 -1.01 -0.88 0.00 0.00 -0.54 0.32 119.26 118.76 2diy h ALA 54 Ca 0.49 -0.13 0.34 0.00 0.00 0.00 0.00 54.91 55.61 2diy h ALA 54 Cb 1.00 0.23 -0.13 0.00 0.00 0.00 0.00 17.79 18.90 2diy h ALA 54 CO -0.76 -0.97 0.51 1.04 0.00 0.00 0.00 179.25 179.07 2diy n GLN 55 N -3.84 -0.04 0.01 0.00 3.00 0.08 0.16 117.38 116.74 2diy n GLN 55 Ca -0.07 1.03 -0.18 0.00 -0.01 0.00 0.00 57.00 57.77 2diy n GLN 55 Cb 0.24 -1.92 -0.14 0.00 0.00 0.00 0.00 30.24 28.42 2diy n GLN 55 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.06 177.58 2diy h MET 56 N 0.00 0.22 -0.69 -1.09 2.86 -1.22 -3.23 114.93 111.78 2diy h MET 56 Ca 0.67 -0.35 0.13 0.00 -2.06 0.00 0.00 59.70 58.09 2diy h MET 56 Cb 1.90 0.12 -0.13 0.00 0.06 0.00 0.00 31.60 33.55 2diy h MET 56 CO -0.51 1.14 -0.26 -0.97 1.06 0.00 0.00 176.91 177.36 2diy h ASN 57 N -0.52 -0.94 0.69 1.22 -1.24 0.37 0.16 115.58 115.32 2diy h ASN 57 Ca -0.09 0.23 -0.03 0.00 0.71 0.00 0.00 56.30 57.12 2diy h ASN 57 Cb 1.39 0.53 -0.01 0.00 0.73 0.00 0.00 38.32 40.95 2diy h ASN 57 CO 0.10 -0.27 -0.50 -0.33 -1.29 0.00 0.00 177.43 175.13 2diy h GLU 58 N -0.07 -1.10 -1.00 6.67 5.08 -1.47 -2.34 114.58 120.34 2diy h GLU 58 Ca 0.30 0.07 0.24 0.00 -1.00 0.00 0.00 59.36 58.98 2diy h GLU 58 Cb 0.55 0.25 -0.12 0.00 0.50 0.00 0.00 28.75 29.92 2diy h GLU 58 CO -0.74 -0.73 0.59 0.28 -1.00 0.00 0.00 179.01 177.41 2diy h VAL 59 N -1.14 0.54 0.40 3.13 2.07 -1.36 -2.16 116.25 117.73 2diy h VAL 59 Ca -0.09 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 2diy h VAL 59 Cb 0.94 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2diy h VAL 59 CO 0.04 0.11 -0.31 0.24 0.02 0.00 0.00 177.57 177.67 2diy h MET 60 N 0.59 -0.66 -0.90 1.57 2.86 -0.24 -2.44 114.93 115.71 2diy h MET 60 Ca 0.64 0.04 0.13 0.00 -2.06 0.00 0.00 59.70 58.46 2diy h MET 60 Cb 1.21 0.15 -0.14 0.00 0.06 0.00 0.00 31.60 32.88 2diy h MET 60 CO -0.47 -0.44 -0.37 0.00 1.06 0.00 0.00 176.91 176.69 2diy n ALA 61 N -2.54 -0.16 -0.27 6.32 0.00 -0.83 0.12 120.51 123.15 2diy n ALA 61 Ca -0.08 0.88 0.06 0.00 0.00 0.00 0.00 53.44 54.30 2diy n ALA 61 Cb 0.30 -0.37 0.20 0.00 0.00 0.00 0.00 19.45 19.57 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 0.46 0.17 0.00 5.08 -1.37 -2.26 114.58 116.67 2diy h GLU 62 Ca 0.30 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 2diy h GLU 62 Cb 0.52 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2diy h GLU 62 CO -0.89 0.31 -0.08 -0.07 -1.00 0.00 0.00 179.01 177.28 2diy h LEU 63 N 0.48 -0.19 -0.66 1.33 3.38 0.14 -2.05 115.31 117.73 2diy h LEU 63 Ca 0.43 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 58.18 2diy h LEU 63 Cb 0.64 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.36 2diy h LEU 63 CO -0.40 0.19 -0.39 0.00 0.09 0.00 0.00 178.44 177.94 2diy n ALA 64 N -2.40 -0.42 -0.22 1.53 0.00 0.66 0.48 120.51 120.14 2diy n ALA 64 Ca -0.09 0.56 -0.08 0.00 0.00 0.00 0.00 53.44 53.83 2diy n ALA 64 Cb 0.24 -0.03 0.03 0.00 0.00 0.00 0.00 19.45 19.68 2diy n ALA 64 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2diy h LYS 65 N 0.00 0.99 -0.58 0.00 2.10 -1.58 -2.57 116.57 114.94 2diy h LYS 65 Ca 0.11 -0.25 0.11 0.00 -2.00 0.00 0.00 60.65 58.62 2diy h LYS 65 Cb 0.27 -0.13 -0.03 0.00 -0.90 0.00 0.00 32.23 31.44 2diy h LYS 65 CO -0.62 0.91 0.39 1.49 -2.00 0.00 0.00 179.45 179.62 2diy h GLU 66 N 0.91 0.29 -2.93 0.07 4.81 0.75 -3.33 114.58 115.15 2diy h GLU 66 Ca 0.19 -0.02 -0.59 0.00 -0.13 0.00 0.00 59.36 58.82 2diy h GLU 66 Cb 0.37 -0.07 -0.40 0.00 0.63 0.00 0.00 28.75 29.29 2diy h GLU 66 CO 0.00 0.19 -0.78 -0.51 -0.73 0.00 0.00 179.01 177.18 2diy s LEU 67 N -9.20 1.80 0.54 1.64 1.43 0.18 -4.97 118.68 110.10 2diy s LEU 67 Ca -0.07 -2.17 0.33 0.00 -1.03 0.00 0.00 54.13 51.19 2diy s LEU 67 Cb 0.20 -0.71 1.36 0.00 0.03 0.00 0.00 46.19 47.07 2diy s LEU 67 CO 0.74 -0.33 1.99 1.55 0.23 0.00 0.00 176.35 180.53 2diy h PRO 68 N 7.23 0.00 0.00 1.29 0.13 -1.66 -2.53 132.00 136.47 2diy h PRO 68 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2diy h PRO 68 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2diy h PRO 68 CO 0.40 0.04 0.00 0.00 -0.23 0.00 0.00 178.00 178.20 2diy n GLN 69 N -3.15 0.02 -4.47 0.86 0.00 -1.26 -4.72 117.38 104.65 2diy n GLN 69 Ca 0.00 0.14 -0.33 0.00 0.00 0.00 0.00 57.00 56.81 2diy n GLN 69 Cb 0.31 -1.50 -0.10 0.00 0.00 0.00 0.00 30.24 28.95 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 -2.98 3.89 -0.30 -0.39 1.01 -0.95 -3.70 120.40 116.98 2diy s VAL 70 Ca 0.11 -0.53 -0.06 0.00 0.00 0.00 0.00 61.98 61.49 2diy s VAL 70 Cb 0.14 -2.65 0.02 0.00 0.00 0.00 0.00 36.38 33.88 2diy s VAL 70 CO 0.38 0.51 0.07 -0.44 0.00 0.00 0.00 175.10 175.62 2diy s SER 71 N -1.12 5.09 -0.28 3.32 0.01 -0.44 -4.95 113.70 115.33 2diy s SER 71 Ca 0.15 -0.82 -0.16 0.00 1.31 0.00 0.00 55.95 56.44 2diy s SER 71 Cb -0.11 -1.86 -0.03 0.00 0.21 0.00 0.00 66.02 64.23 2diy s SER 71 CO 0.05 -0.22 0.40 -0.36 0.41 0.00 0.00 173.24 173.53 2diy s PHE 72 N 1.46 3.24 -0.07 2.43 0.40 -1.26 -0.59 117.98 123.58 2diy s PHE 72 Ca 0.01 0.38 0.03 0.00 -0.60 0.00 0.00 56.93 56.76 2diy s PHE 72 Cb -0.18 -2.63 0.01 0.00 0.51 0.00 0.00 43.02 40.73 2diy s PHE 72 CO 0.02 -0.28 -0.17 0.14 0.70 0.00 0.00 175.22 175.63 2diy s VAL 73 N 2.13 1.48 -0.16 -0.44 -7.23 -0.42 -2.63 120.40 113.12 2diy s VAL 73 Ca 0.16 -0.69 -0.04 0.00 -1.81 0.00 0.00 61.98 59.59 2diy s VAL 73 Cb -0.16 -1.30 -0.03 0.00 0.56 0.00 0.00 36.38 35.45 2diy s VAL 73 CO 0.10 0.43 -0.02 -1.59 -0.31 0.00 0.00 175.10 173.71 2diy s LYS 74 N 0.43 3.69 -0.02 4.82 -2.85 -0.64 -0.31 119.74 124.87 2diy s LYS 74 Ca -0.14 -0.49 0.04 0.00 -1.00 0.00 0.00 55.97 54.39 2diy s LYS 74 Cb -0.16 -2.96 -0.01 0.00 -2.06 0.00 0.00 37.83 32.65 2diy s LYS 74 CO 0.05 0.27 -0.15 -1.17 0.10 0.00 0.00 175.35 174.45 2diy s LEU 75 N 0.30 1.96 -0.34 2.77 0.20 0.70 -0.87 118.68 123.41 2diy s LEU 75 Ca -0.02 -0.28 -0.23 0.00 0.69 0.00 0.00 54.13 54.29 2diy s LEU 75 Cb -0.14 -0.79 0.00 0.00 -0.43 0.00 0.00 46.19 44.83 2diy s LEU 75 CO 0.02 0.16 0.75 -0.70 -0.29 0.00 0.00 176.35 176.29 2diy s GLU 76 N -0.17 3.82 0.15 1.98 2.12 -1.26 -2.58 118.70 122.76 2diy s GLU 76 Ca 0.02 0.35 -0.24 0.00 0.36 0.00 0.00 54.97 55.46 2diy s GLU 76 Cb -0.08 -3.78 0.02 0.00 0.26 0.00 0.00 34.13 30.55 2diy s GLU 76 CO 0.00 -0.76 1.61 0.00 -0.54 0.00 0.00 175.26 175.58 2diy h ALA 77 N 8.34 -0.25 0.00 6.30 0.00 -1.88 0.28 119.26 132.05 2diy h ALA 77 Ca -0.25 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2diy h ALA 77 Cb 1.10 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2diy h ALA 77 CO 0.88 -0.74 0.00 0.93 0.00 0.00 0.00 179.25 180.32 2diy h GLU 78 N -0.31 0.00 0.07 0.00 3.07 -1.93 -3.12 114.58 112.36 2diy h GLU 78 Ca 0.13 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.99 2diy h GLU 78 Cb 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 2diy h GLU 78 CO -0.43 0.00 -0.03 0.78 -1.40 0.00 0.00 179.01 177.93 2diy h GLY 79 N 1.21 -0.10 -7.14 -3.84 0.00 -0.94 -3.40 103.07 88.87 2diy h GLY 79 Ca 0.00 0.04 -0.68 0.00 0.00 0.00 0.00 47.33 46.68 2diy h GLY 79 CO 0.00 -0.03 -0.19 -0.62 0.00 0.00 0.00 176.54 175.70 2diy n VAL 80 N -4.79 2.80 0.70 4.60 0.31 0.19 -4.88 118.33 117.28 2diy n VAL 80 Ca -0.06 -5.12 0.07 0.00 -0.01 0.00 0.00 64.34 59.22 2diy n VAL 80 Cb 0.24 -2.30 0.37 0.00 -0.91 0.00 0.00 33.84 31.24 2diy n VAL 80 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2diy n PRO 81 N 2.03 0.22 0.09 5.55 -0.04 -1.20 -2.61 135.00 139.04 2diy n PRO 81 Ca 0.22 0.14 -0.08 0.00 -0.04 0.00 0.00 63.50 63.75 2diy n PRO 81 Cb 0.37 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.34 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 0.18 0.01 0.54 4.57 -1.89 -3.14 114.58 114.84 2diy h GLU 82 Ca 0.00 -0.18 -0.32 0.00 -1.18 0.00 0.00 59.36 57.68 2diy h GLU 82 Cb 0.13 0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.72 2diy h GLU 82 CO 0.00 0.91 -1.96 0.28 -1.18 0.00 0.00 179.01 177.06 2diy n VAL 83 N -3.68 1.55 0.13 0.32 0.31 -1.07 -4.05 118.33 111.84 2diy n VAL 83 Ca -0.03 -0.80 0.05 0.00 -0.01 0.00 0.00 64.34 63.55 2diy n VAL 83 Cb 0.78 -0.92 0.51 0.00 -0.91 0.00 0.00 33.84 33.29 2diy n VAL 83 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2diy h SER 84 N 0.00 0.23 0.05 4.52 0.02 -1.61 -2.76 113.55 114.00 2diy h SER 84 Ca -0.38 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.55 2diy h SER 84 Cb 2.08 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 64.57 2diy h SER 84 CO 0.06 0.21 -0.03 1.05 -1.14 0.00 0.00 176.83 176.98 2diy h GLU 85 N 0.26 -0.07 -0.64 3.45 4.11 -1.70 1.49 114.58 121.48 2diy h GLU 85 Ca 0.07 0.00 0.12 0.00 0.07 0.00 0.00 59.36 59.62 2diy h GLU 85 Cb 0.05 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 29.19 2diy h GLU 85 CO -0.01 0.41 -0.25 -0.22 0.07 0.00 0.00 179.01 179.01 2diy h LYS 86 N -0.58 -0.08 0.00 1.06 3.11 -1.64 0.56 116.57 119.00 2diy h LYS 86 Ca -0.01 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2diy h LYS 86 Cb 0.51 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.76 2diy h LYS 86 CO 0.01 -0.05 -0.71 0.66 -2.81 0.00 0.00 179.45 176.55 2diy n TYR 87 N -5.45 0.33 -3.21 1.91 4.01 -1.12 -4.96 117.16 108.67 2diy n TYR 87 Ca 0.06 0.10 -0.16 0.00 -0.16 0.00 0.00 57.90 57.75 2diy n TYR 87 Cb 0.36 -0.49 0.05 0.00 -0.31 0.00 0.00 39.34 38.95 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 -1.91 -5.23 -2.28 -0.72 1.02 0.45 -4.91 120.64 107.06 2diy n GLU 88 Ca 0.03 0.55 -0.35 0.00 -0.02 0.00 0.00 57.16 57.37 2diy n GLU 88 Cb 0.41 -4.74 -0.04 0.00 -0.02 0.00 0.00 31.44 27.06 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 -3.21 3.62 -0.45 -3.67 -1.09 0.19 -4.80 121.20 111.79 2diy s ILE 89 Ca 0.36 -0.30 0.04 0.00 -2.23 0.00 0.00 60.65 58.52 2diy s ILE 89 Cb -0.16 -4.46 0.44 0.00 -1.58 0.00 0.00 42.46 36.70 2diy s ILE 89 CO 0.48 -1.38 1.43 -1.20 -1.23 0.00 0.00 174.94 173.04 2diy n SER 90 N 11.52 5.72 -3.63 3.58 7.64 -1.26 -4.89 113.62 132.30 2diy n SER 90 Ca 0.30 -3.76 -0.11 0.00 1.01 0.00 0.00 58.87 56.30 2diy n SER 90 Cb 0.49 -0.56 -0.07 0.00 -1.01 0.00 0.00 64.21 63.06 2diy n SER 90 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2diy s SER 91 N -3.00 -0.56 0.01 6.43 1.04 -1.26 -5.18 113.70 111.18 2diy s SER 91 Ca 0.54 1.05 -0.06 0.00 0.48 0.00 0.00 55.95 57.95 2diy s SER 91 Cb 0.43 1.05 -0.00 0.00 0.10 0.00 0.00 66.02 67.60 2diy s SER 91 CO -0.05 -0.21 0.11 0.68 0.98 0.00 0.00 173.24 174.75 2diy s VAL 92 N 0.17 0.09 0.89 5.02 -7.23 -1.26 -4.18 120.40 113.90 2diy s VAL 92 Ca 0.01 -0.77 -0.11 0.00 -1.81 0.00 0.00 61.98 59.30 2diy s VAL 92 Cb -0.05 -0.47 0.13 0.00 0.56 0.00 0.00 36.38 36.55 2diy s VAL 92 CO -0.03 -0.42 1.09 -2.16 -0.31 0.00 0.00 175.10 173.27 2diy s PRO 93 N -1.56 1.30 -0.20 4.82 0.04 -1.26 -4.88 135.00 133.26 2diy s PRO 93 Ca -0.14 0.83 -0.13 0.00 0.04 0.00 0.00 61.00 61.61 2diy s PRO 93 Cb -0.07 -1.81 0.06 0.00 0.04 0.00 0.00 34.50 32.72 2diy s PRO 93 CO 0.00 -2.22 0.50 0.99 0.04 0.00 0.00 177.00 176.32 2diy s THR 94 N -2.93 -0.01 -0.09 1.26 2.01 -1.23 -2.55 115.64 112.10 2diy s THR 94 Ca 0.63 0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.70 2diy s THR 94 Cb -0.18 -0.73 -0.02 0.00 0.01 0.00 0.00 72.50 71.58 2diy s THR 94 CO 0.57 0.02 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.03 2diy s PHE 95 N 1.18 2.77 -0.27 4.92 0.40 0.21 -0.37 117.98 126.82 2diy s PHE 95 Ca -0.07 -0.36 0.00 0.00 -0.60 0.00 0.00 56.93 55.90 2diy s PHE 95 Cb -0.06 -1.74 0.08 0.00 0.51 0.00 0.00 43.02 41.81 2diy s PHE 95 CO -0.11 0.02 0.01 -0.51 0.70 0.00 0.00 175.22 175.33 2diy s LEU 96 N -0.24 2.68 -0.11 -0.37 1.43 -1.12 -1.20 118.68 119.76 2diy s LEU 96 Ca 0.01 -1.42 -0.30 0.00 -1.03 0.00 0.00 54.13 51.40 2diy s LEU 96 Cb -0.13 -1.10 -0.01 0.00 0.03 0.00 0.00 46.19 44.98 2diy s LEU 96 CO 0.03 -0.32 1.04 -0.36 0.23 0.00 0.00 176.35 176.97 2diy s PHE 97 N 1.43 3.45 -0.20 0.29 0.40 -0.81 -2.37 117.98 120.18 2diy s PHE 97 Ca 0.02 1.53 0.00 0.00 -0.60 0.00 0.00 56.93 57.88 2diy s PHE 97 Cb -0.18 -3.23 0.05 0.00 0.51 0.00 0.00 43.02 40.17 2diy s PHE 97 CO -0.12 -0.40 -0.06 -0.06 0.70 0.00 0.00 175.22 175.28 2diy s PHE 98 N 2.12 2.12 -0.37 0.36 0.08 -0.40 -2.47 117.98 119.43 2diy s PHE 98 Ca 0.49 -1.46 -0.05 0.00 0.12 0.00 0.00 56.93 56.03 2diy s PHE 98 Cb -0.19 -1.49 0.07 0.00 -0.57 0.00 0.00 43.02 40.84 2diy s PHE 98 CO 0.18 -0.71 0.14 0.15 -0.10 0.00 0.00 175.22 174.88 2diy s LYS 99 N 1.49 2.41 -0.53 0.44 1.02 -0.62 -1.84 119.74 122.10 2diy s LYS 99 Ca -0.02 -1.44 -0.03 0.00 0.02 0.00 0.00 55.97 54.50 2diy s LYS 99 Cb -0.17 -3.50 0.00 0.00 -0.52 0.00 0.00 37.83 33.64 2diy s LYS 99 CO -0.07 -0.83 0.46 -1.71 -0.92 0.00 0.00 175.35 172.28 2diy n ASN 100 N 4.73 -3.51 -3.29 2.83 2.85 0.13 -3.42 115.26 115.58 2diy n ASN 100 Ca -0.09 -0.22 -0.19 0.00 -0.11 0.00 0.00 54.58 53.96 2diy n ASN 100 Cb 0.43 -2.31 0.08 0.00 1.24 0.00 0.00 39.78 39.21 2diy n ASN 100 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2diy n SER 101 N -0.51 -4.47 -3.65 1.20 7.64 -1.26 -5.01 113.62 107.56 2diy n SER 101 Ca -0.01 -0.52 -0.05 0.00 1.01 0.00 0.00 58.87 59.30 2diy n SER 101 Cb 0.53 -4.68 -0.07 0.00 -1.01 0.00 0.00 64.21 58.98 2diy n SER 101 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2diy s GLN 102 N -5.83 0.45 0.17 1.43 -0.21 -1.22 -5.10 119.66 109.34 2diy s GLN 102 Ca 0.33 1.25 -0.32 0.00 0.02 0.00 0.00 55.36 56.64 2diy s GLN 102 Cb -0.14 0.61 -0.10 0.00 1.00 0.00 0.00 33.01 34.38 2diy s GLN 102 CO 0.67 -0.23 1.58 0.21 -2.12 0.00 0.00 175.29 175.40 2diy s LYS 103 N 2.76 4.21 0.00 2.91 2.20 -1.26 -1.59 119.74 128.97 2diy s LYS 103 Ca -0.04 2.38 0.00 0.00 -0.36 0.00 0.00 55.97 57.95 2diy s LYS 103 Cb -0.12 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 2diy s LYS 103 CO -0.16 -0.62 0.00 0.44 -0.36 0.00 0.00 175.35 174.65 2diy n ILE 104 N 3.98 0.00 -4.19 5.43 -5.35 -1.03 -4.95 119.36 113.25 2diy n ILE 104 Ca 0.14 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.51 2diy n ILE 104 Cb 0.38 -0.64 -0.10 0.00 -1.74 0.00 0.00 39.64 37.54 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 -2.51 0.40 -0.28 7.28 2.15 -1.24 -5.06 116.67 117.41 2diy s ASP 105 Ca 0.00 -1.29 -0.24 0.00 0.43 0.00 0.00 52.55 51.45 2diy s ASP 105 Cb 0.00 0.30 0.09 0.00 -0.30 0.00 0.00 42.92 43.01 2diy s ASP 105 CO 0.00 -0.76 0.83 -0.60 -0.17 0.00 0.00 175.17 174.47 2diy s ARG 106 N -4.08 0.70 -0.22 4.34 3.52 -1.26 -1.92 118.95 120.03 2diy s ARG 106 Ca 0.31 0.87 0.01 0.00 -0.13 0.00 0.00 55.73 56.79 2diy s ARG 106 Cb 0.07 0.32 0.05 0.00 -1.56 0.00 0.00 34.95 33.84 2diy s ARG 106 CO 0.07 -0.09 -0.07 -1.17 -0.81 0.00 0.00 175.30 173.23 2diy s LEU 107 N 0.47 2.49 -0.09 -0.88 0.20 -0.34 -5.00 118.68 115.53 2diy s LEU 107 Ca -0.00 -1.08 -0.08 0.00 0.69 0.00 0.00 54.13 53.66 2diy s LEU 107 Cb -0.05 -1.20 -0.04 0.00 -0.43 0.00 0.00 46.19 44.47 2diy s LEU 107 CO -0.04 -0.20 0.18 1.51 -0.29 0.00 0.00 176.35 177.51 2diy s ASP 108 N 1.39 6.44 0.00 3.68 1.47 -1.26 -0.62 116.67 127.77 2diy s ASP 108 Ca -0.04 0.52 0.00 0.00 1.18 0.00 0.00 52.55 54.21 2diy s ASP 108 Cb -0.18 -2.09 0.00 0.00 -0.34 0.00 0.00 42.92 40.31 2diy s ASP 108 CO -0.07 0.38 0.00 0.61 0.68 0.00 0.00 175.17 176.78 2diy n GLY 109 N 1.86 0.37 3.46 2.12 0.00 -1.05 -4.86 105.19 107.09 2diy n GLY 109 Ca -0.18 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 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 -2.21 3.25 -0.13 4.61 0.00 -1.26 -4.66 121.76 121.36 2diy s ALA 110 Ca 0.00 -1.68 -0.01 0.00 0.00 0.00 0.00 51.96 50.27 2diy s ALA 110 Cb 0.00 -3.62 0.04 0.00 0.00 0.00 0.00 23.12 19.53 2diy s ALA 110 CO 0.00 -2.37 -0.03 -1.01 0.00 0.00 0.00 175.76 172.35 2diy s HIS 111 N 3.41 1.25 -0.00 0.00 3.76 -1.26 -5.04 115.29 117.40 2diy s HIS 111 Ca 0.21 -0.70 -0.24 0.00 -0.15 0.00 0.00 55.06 54.19 2diy s HIS 111 Cb -0.17 -1.10 -0.13 0.00 1.11 0.00 0.00 32.58 32.28 2diy s HIS 111 CO 0.13 -0.51 0.97 0.00 -0.85 0.00 0.00 174.74 174.49 2diy h ALA 112 N 8.21 -0.85 0.04 -1.40 0.00 -1.94 -3.02 119.26 120.30 2diy h ALA 112 Ca -0.23 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 2diy h ALA 112 Cb 1.12 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2diy h ALA 112 CO 0.35 -0.79 -0.02 -1.00 0.00 0.00 0.00 179.25 177.79 2diy h PRO 113 N -1.23 -0.06 -1.16 0.00 0.13 -2.00 -3.12 132.00 124.57 2diy h PRO 113 Ca -0.09 0.00 0.35 0.00 -0.87 0.00 0.00 66.00 65.40 2diy h PRO 113 Cb 0.65 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 31.68 2diy h PRO 113 CO 0.14 0.41 0.74 1.49 -0.23 0.00 0.00 178.00 180.55 2diy h GLU 114 N -0.54 0.23 0.26 0.86 4.81 -1.99 -0.82 114.58 117.39 2diy h GLU 114 Ca -0.01 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2diy h GLU 114 Cb 0.49 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2diy h GLU 114 CO 0.01 0.15 -0.12 1.25 -0.73 0.00 0.00 179.01 179.57 2diy h LEU 115 N 0.24 -0.29 -0.92 1.64 5.85 -1.50 -3.04 115.31 117.29 2diy h LEU 115 Ca 0.71 0.01 0.26 0.00 0.84 0.00 0.00 57.88 59.70 2diy h LEU 115 Cb 2.01 0.08 -0.16 0.00 0.37 0.00 0.00 40.66 42.96 2diy h LEU 115 CO -0.39 -0.13 0.16 0.74 -0.34 0.00 0.00 178.44 178.48 2diy h THR 116 N -0.50 0.18 0.00 1.05 2.02 -1.29 -0.25 112.91 114.12 2diy h THR 116 Ca -0.04 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 67.12 2diy h THR 116 Cb 0.27 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 2diy h THR 116 CO 0.06 0.02 -0.22 0.11 0.37 0.00 0.00 175.52 175.86 2diy h LYS 117 N 0.11 -0.27 -0.18 6.66 1.57 -1.23 0.19 116.57 123.41 2diy h LYS 117 Ca 0.58 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.43 2diy h LYS 117 Cb 1.21 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 33.53 2diy h LYS 117 CO -0.77 -0.18 -0.17 0.87 -0.57 0.00 0.00 179.45 178.64 2diy h LYS 118 N -0.28 -0.18 -0.43 3.15 1.57 -1.15 -1.51 116.57 117.75 2diy h LYS 118 Ca 0.00 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.88 2diy h LYS 118 Cb 0.30 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.56 2diy h LYS 118 CO -0.15 -0.12 -0.36 0.28 -0.57 0.00 0.00 179.45 178.53 2diy h VAL 119 N -0.18 0.18 0.21 0.50 2.07 -0.80 0.27 116.25 118.50 2diy h VAL 119 Ca 0.12 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.65 2diy h VAL 119 Cb 0.35 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 2diy h VAL 119 CO -0.29 0.00 -0.35 1.56 0.02 0.00 0.00 177.57 178.51 2diy h GLN 120 N -0.27 -0.61 -0.09 1.57 4.20 -0.22 0.39 115.11 120.08 2diy h GLN 120 Ca 0.17 0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.94 2diy h GLN 120 Cb 0.56 0.14 -0.05 0.00 0.30 0.00 0.00 27.48 28.43 2diy h GLN 120 CO -0.57 -0.41 -0.39 -0.09 -0.67 0.00 0.00 178.83 176.70 2diy h ARG 121 N -0.63 -0.41 -0.86 1.46 2.43 -0.61 -0.97 114.38 114.79 2diy h ARG 121 Ca 0.01 0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.31 2diy h ARG 121 Cb 0.62 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.20 2diy h ARG 121 CO -0.15 -0.27 0.56 0.45 -1.51 0.00 0.00 179.97 179.05 2diy h HIS 122 N -0.42 0.87 -1.03 2.20 3.86 -0.86 -1.97 115.15 117.79 2diy h HIS 122 Ca 0.02 0.02 0.41 0.00 -1.16 0.00 0.00 60.37 59.67 2diy h HIS 122 Cb 0.49 -0.28 -0.16 0.00 1.06 0.00 0.00 27.41 28.52 2diy h HIS 122 CO -0.54 0.38 0.59 0.00 0.86 0.00 0.00 177.93 179.22 2diy n ALA 123 N -2.42 1.05 -1.42 2.45 0.00 0.13 -4.37 120.51 115.94 2diy n ALA 123 Ca 0.15 0.95 -0.48 0.00 0.00 0.00 0.00 53.44 54.06 2diy n ALA 123 Cb 0.35 -0.98 -0.11 0.00 0.00 0.00 0.00 19.45 18.71 2diy n ALA 123 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2diy n SER 124 N -5.05 1.17 -4.14 0.00 7.64 -0.74 -4.89 113.62 107.60 2diy n SER 124 Ca 0.37 0.29 -0.12 0.00 1.01 0.00 0.00 58.87 60.41 2diy n SER 124 Cb 1.29 -1.09 -0.11 0.00 -1.01 0.00 0.00 64.21 63.29 2diy n SER 124 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2diy s SER 125 N 8.17 1.13 0.57 6.43 0.01 -1.26 -5.07 113.70 123.68 2diy s SER 125 Ca 1.20 -0.81 -0.14 0.00 1.31 0.00 0.00 55.95 57.51 2diy s SER 125 Cb -1.08 0.05 -0.06 0.00 0.21 0.00 0.00 66.02 65.15 2diy s SER 125 CO 0.51 -0.33 1.01 -0.83 0.41 0.00 0.00 173.24 174.01 2diy s GLY 126 N -2.41 1.87 0.19 3.44 0.00 -1.26 -5.02 107.32 104.14 2diy s GLY 126 Ca 0.03 0.06 -0.30 0.00 0.00 0.00 0.00 44.72 44.51 2diy s GLY 126 CO -0.02 0.33 1.31 2.56 0.00 0.00 0.00 173.10 177.28 2diy s PRO 127 N -4.61 4.39 -0.10 2.90 0.04 -1.26 -4.97 135.00 131.39 2diy s PRO 127 Ca 0.57 2.04 -0.06 0.00 0.04 0.00 0.00 61.00 63.60 2diy s PRO 127 Cb -0.11 -3.20 -0.05 0.00 0.04 0.00 0.00 34.50 31.18 2diy s PRO 127 CO 0.43 -0.26 0.20 0.77 0.04 0.00 0.00 177.00 178.18 2diy h SER 128 N 5.45 -0.05 -3.79 6.66 0.02 -2.03 -3.42 113.55 116.40 2diy h SER 128 Ca -0.45 -0.14 -0.71 0.00 -0.84 0.00 0.00 61.79 59.65 2diy h SER 128 Cb 1.21 0.01 -0.33 0.00 0.14 0.00 0.00 62.40 63.43 2diy h SER 128 CO 0.78 0.51 -0.39 -0.44 -1.14 0.00 0.00 176.83 176.15 2diy s SER 129 N -5.57 5.43 0.00 3.07 0.01 -1.26 -5.31 113.70 110.06 2diy s SER 129 Ca -0.04 -2.46 0.01 0.00 1.31 0.00 0.00 55.95 54.77 2diy s SER 129 Cb -0.00 -1.90 0.01 0.00 0.21 0.00 0.00 66.02 64.33 2diy s SER 129 CO 0.13 -0.49 0.53 0.61 0.41 0.00 0.00 173.24 174.43