#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 6.84 -0.25 1.61 0.01 -1.26 -4.96 113.70 115.69 2diy s SER 2 Ca 0.00 -2.63 -0.18 0.00 1.31 0.00 0.00 55.95 54.46 2diy s SER 2 Cb 0.00 -2.30 0.07 0.00 0.21 0.00 0.00 66.02 64.00 2diy s SER 2 CO 0.00 -0.73 0.63 -0.55 0.41 0.00 0.00 173.24 172.99 2diy s SER 3 N 2.66 -0.77 0.26 2.44 0.15 -1.26 -5.14 113.70 112.05 2diy s SER 3 Ca 0.28 1.33 -0.30 0.00 0.70 0.00 0.00 55.95 57.96 2diy s SER 3 Cb -0.07 1.26 -0.14 0.00 -1.71 0.00 0.00 66.02 65.36 2diy s SER 3 CO -0.08 -0.23 1.24 0.61 1.20 0.00 0.00 173.24 175.98 2diy n GLY 4 N 3.66 0.34 3.89 9.45 0.00 -1.26 -4.96 105.19 116.30 2diy n GLY 4 Ca -0.18 0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 2diy n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2diy s SER 5 N -0.11 6.06 -0.53 1.61 0.15 -1.26 -5.04 113.70 114.58 2diy s SER 5 Ca 0.64 1.18 -0.06 0.00 0.70 0.00 0.00 55.95 58.41 2diy s SER 5 Cb -0.68 -2.26 0.14 0.00 -1.71 0.00 0.00 66.02 61.51 2diy s SER 5 CO 0.55 -0.88 0.37 -0.55 1.20 0.00 0.00 173.24 173.94 2diy s SER 6 N -4.20 5.50 0.00 5.45 0.15 -1.26 -4.84 113.70 114.50 2diy s SER 6 Ca 0.53 -2.32 0.00 0.00 0.70 0.00 0.00 55.95 54.86 2diy s SER 6 Cb -0.11 -1.92 0.00 0.00 -1.71 0.00 0.00 66.02 62.28 2diy s SER 6 CO 0.50 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 175.02 2diy n GLY 7 N 4.27 -0.50 3.00 9.45 0.00 -1.26 -5.08 105.19 115.07 2diy n GLY 7 Ca 0.01 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 45.00 2diy n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2diy s MET 8 N -0.14 1.70 -0.54 1.61 -2.45 -1.26 -4.98 119.30 113.23 2diy s MET 8 Ca 0.00 -1.49 0.01 0.00 -1.25 0.00 0.00 55.69 52.96 2diy s MET 8 Cb 0.00 -2.90 0.44 0.00 1.25 0.00 0.00 34.83 33.62 2diy s MET 8 CO 0.00 -0.76 1.70 0.00 1.05 0.00 0.00 175.02 177.00 2diy n ALA 9 N 4.43 5.84 -3.91 4.11 0.00 -1.26 -4.88 120.51 124.84 2diy n ALA 9 Ca -0.05 -3.69 -0.32 0.00 0.00 0.00 0.00 53.44 49.38 2diy n ALA 9 Cb 0.42 -1.23 -0.13 0.00 0.00 0.00 0.00 19.45 18.51 2diy n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2diy s ALA 10 N -3.76 3.28 0.00 0.00 0.00 -1.26 -4.75 121.76 115.27 2diy s ALA 10 Ca 0.58 -3.11 0.00 0.00 0.00 0.00 0.00 51.96 49.43 2diy s ALA 10 Cb 0.46 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 21.36 2diy s ALA 10 CO -0.04 -1.97 0.00 0.41 0.00 0.00 0.00 175.76 174.16 2diy n GLY 11 N 3.45 0.00 3.01 0.00 0.00 -1.26 -5.12 105.19 105.26 2diy n GLY 11 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 3.28 -0.29 4.61 0.00 -1.26 -5.04 121.76 123.06 2diy s ALA 12 Ca 0.00 -3.09 -0.23 0.00 0.00 0.00 0.00 51.96 48.64 2diy s ALA 12 Cb 0.00 -2.25 0.14 0.00 0.00 0.00 0.00 23.12 21.01 2diy s ALA 12 CO 0.00 -1.96 1.11 0.00 0.00 0.00 0.00 175.76 174.91 2diy s ALA 13 N 0.08 -2.10 0.03 0.00 0.00 -1.26 -5.18 121.76 113.33 2diy s ALA 13 Ca 0.15 1.90 -0.16 0.00 0.00 0.00 0.00 51.96 53.85 2diy s ALA 13 Cb -0.23 -1.57 0.03 0.00 0.00 0.00 0.00 23.12 21.34 2diy s ALA 13 CO -0.03 -0.23 0.35 -1.21 0.00 0.00 0.00 175.76 174.64 2diy s GLU 14 N 0.40 0.83 -0.10 0.00 8.01 -1.26 -5.14 118.70 121.44 2diy s GLU 14 Ca 0.02 -0.38 -0.30 0.00 0.01 0.00 0.00 54.97 54.32 2diy s GLU 14 Cb -0.05 0.36 -0.01 0.00 -4.31 0.00 0.00 34.13 30.12 2diy s GLU 14 CO -0.10 -0.26 1.01 0.00 0.01 0.00 0.00 175.26 175.92 2diy s ALA 15 N -2.27 3.40 -0.22 5.21 0.00 -1.26 -5.02 121.76 121.60 2diy s ALA 15 Ca -0.07 0.38 -0.03 0.00 0.00 0.00 0.00 51.96 52.24 2diy s ALA 15 Cb -0.02 -3.44 0.11 0.00 0.00 0.00 0.00 23.12 19.78 2diy s ALA 15 CO -0.01 -0.60 0.27 0.00 0.00 0.00 0.00 175.76 175.42 2diy s ALA 16 N 2.00 -0.51 -0.15 0.00 0.00 -1.26 -5.14 121.76 116.71 2diy s ALA 16 Ca 0.48 0.36 -0.06 0.00 0.00 0.00 0.00 51.96 52.75 2diy s ALA 16 Cb -0.18 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 2diy s ALA 16 CO 0.18 -1.28 0.05 0.08 0.00 0.00 0.00 175.76 174.79 2diy s VAL 17 N 2.39 4.74 -0.47 0.00 1.01 -1.26 -4.99 120.40 121.81 2diy s VAL 17 Ca 0.09 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.04 2diy s VAL 17 Cb -0.15 -3.09 0.63 0.00 0.00 0.00 0.00 36.38 33.76 2diy s VAL 17 CO -0.16 0.52 1.90 0.00 0.00 0.00 0.00 175.10 177.36 2diy n ALA 18 N 2.98 5.62 -2.48 5.51 0.00 -1.26 -4.81 120.51 126.07 2diy n ALA 18 Ca -0.18 -3.01 -0.24 0.00 0.00 0.00 0.00 53.44 50.01 2diy n ALA 18 Cb 0.53 -1.44 -0.12 0.00 0.00 0.00 0.00 19.45 18.42 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 -3.37 2.03 -0.08 0.00 0.00 -1.26 -4.36 121.76 114.72 2diy s ALA 19 Ca 0.57 -1.40 -0.28 0.00 0.00 0.00 0.00 51.96 50.85 2diy s ALA 19 Cb 0.48 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.32 2diy s ALA 19 CO 0.08 0.35 0.91 0.08 0.00 0.00 0.00 175.76 177.19 2diy s VAL 20 N -1.49 4.87 0.26 0.00 1.01 -1.26 -4.85 120.40 118.94 2diy s VAL 20 Ca 0.12 1.87 -0.30 0.00 0.00 0.00 0.00 61.98 63.68 2diy s VAL 20 Cb -0.08 -4.24 -0.09 0.00 0.00 0.00 0.00 36.38 31.97 2diy s VAL 20 CO 0.06 0.10 1.00 -1.61 0.00 0.00 0.00 175.10 174.65 2diy s GLU 21 N 1.50 4.76 -0.28 2.72 2.02 -0.79 -4.78 118.70 123.85 2diy s GLU 21 Ca 0.46 1.59 -0.12 0.00 0.02 0.00 0.00 54.97 56.92 2diy s GLU 21 Cb -0.19 -3.22 -0.05 0.00 0.10 0.00 0.00 34.13 30.78 2diy s GLU 21 CO 0.20 0.39 0.24 -2.00 0.02 0.00 0.00 175.26 174.12 2diy s GLU 22 N -1.33 3.96 -0.20 1.61 -6.30 -1.26 -0.02 118.70 115.16 2diy s GLU 22 Ca 0.43 -0.22 -0.29 0.00 -2.50 0.00 0.00 54.97 52.39 2diy s GLU 22 Cb -0.28 -3.66 -0.01 0.00 0.00 0.00 0.00 34.13 30.19 2diy s GLU 22 CO 0.35 -0.21 1.23 0.08 0.02 0.00 0.00 175.26 176.72 2diy s VAL 23 N 1.85 4.33 -0.00 3.70 1.01 -0.64 -4.91 120.40 125.75 2diy s VAL 23 Ca 0.09 1.60 0.05 0.00 0.00 0.00 0.00 61.98 63.72 2diy s VAL 23 Cb -0.16 -4.09 -0.24 0.00 0.00 0.00 0.00 36.38 31.89 2diy s VAL 23 CO 0.11 -0.20 0.82 1.23 0.00 0.00 0.00 175.10 177.06 2diy h GLY 24 N 9.86 0.12 -1.94 4.51 0.00 -1.97 -3.40 103.07 110.26 2diy h GLY 24 Ca -0.25 -0.30 0.07 0.00 0.00 0.00 0.00 47.33 46.85 2diy h GLY 24 CO 0.98 0.26 0.25 -1.35 0.00 0.00 0.00 176.54 176.69 2diy s SER 25 N -6.58 -0.23 0.12 0.19 1.04 -1.26 -4.70 113.70 102.28 2diy s SER 25 Ca -0.06 -0.64 -0.32 0.00 0.48 0.00 0.00 55.95 55.40 2diy s SER 25 Cb 0.08 0.72 -0.11 0.00 0.10 0.00 0.00 66.02 66.81 2diy s SER 25 CO 0.83 -1.35 1.57 0.00 0.98 0.00 0.00 173.24 175.27 2diy h ALA 26 N 2.00 -0.82 -0.91 5.32 0.00 -1.94 -1.75 119.26 121.16 2diy h ALA 26 Ca -0.21 -0.06 0.25 0.00 0.00 0.00 0.00 54.91 54.89 2diy h ALA 26 Cb 1.25 0.88 -0.17 0.00 0.00 0.00 0.00 17.79 19.75 2diy h ALA 26 CO 0.25 -1.04 0.01 0.41 0.00 0.00 0.00 179.25 178.87 2diy n GLY 27 N -1.46 -1.25 0.15 0.00 0.00 -1.26 0.89 105.19 102.26 2diy n GLY 27 Ca -0.06 0.90 -0.08 0.00 0.00 0.00 0.00 46.02 46.77 2diy n GLY 27 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2diy h GLN 28 N 0.00 0.41 0.44 1.61 4.15 -1.74 0.60 115.11 120.59 2diy h GLN 28 Ca 0.55 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.92 2diy h GLN 28 Cb 1.11 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.71 2diy h GLN 28 CO -0.86 0.27 -0.21 0.35 -1.93 0.00 0.00 178.83 176.45 2diy h PHE 29 N 0.43 -0.55 -1.00 3.99 3.57 0.76 -1.86 116.94 122.28 2diy h PHE 29 Ca 0.13 -0.01 0.27 0.00 3.53 0.00 0.00 57.97 61.89 2diy h PHE 29 Cb -0.02 0.18 -0.13 0.00 2.79 0.00 0.00 35.95 38.77 2diy h PHE 29 CO -0.07 -0.34 0.57 0.93 -2.23 0.00 0.00 178.31 177.18 2diy h GLU 30 N -1.08 0.47 0.34 1.11 5.08 -0.20 0.87 114.58 121.17 2diy h GLU 30 Ca -0.06 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 2diy h GLU 30 Cb 0.45 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2diy h GLU 30 CO 0.10 0.31 -0.16 1.49 -1.00 0.00 0.00 179.01 179.75 2diy h GLU 31 N 0.48 -0.44 -0.54 2.33 4.57 -0.91 -3.23 114.58 116.85 2diy h GLU 31 Ca 0.67 0.03 0.10 0.00 -1.18 0.00 0.00 59.36 58.98 2diy h GLU 31 Cb 1.37 0.10 -0.08 0.00 -0.16 0.00 0.00 28.75 29.98 2diy h GLU 31 CO -0.52 -0.13 0.12 1.25 -1.18 0.00 0.00 179.01 178.54 2diy h LEU 32 N -0.79 0.01 -0.72 1.64 5.85 -0.31 -1.73 115.31 119.25 2diy h LEU 32 Ca -0.05 0.10 0.26 0.00 0.84 0.00 0.00 57.88 59.03 2diy h LEU 32 Cb 0.52 0.13 -0.13 0.00 0.37 0.00 0.00 40.66 41.55 2diy h LEU 32 CO 0.08 0.03 0.23 0.18 -0.34 0.00 0.00 178.44 178.62 2diy n LEU 33 N -5.11 0.11 0.07 2.25 4.77 0.17 0.24 117.00 119.50 2diy n LEU 33 Ca 0.07 1.21 -0.09 0.00 -0.03 0.00 0.00 56.01 57.18 2diy n LEU 33 Cb 0.28 -0.53 -0.06 0.00 -2.33 0.00 0.00 43.42 40.78 2diy n LEU 33 CO 0.19 -1.30 0.28 0.03 -1.33 0.00 0.00 177.39 175.26 2diy h ARG 34 N 0.00 -0.26 -0.34 3.23 -0.00 -1.43 -2.88 114.38 112.70 2diy h ARG 34 Ca 0.54 0.02 0.06 0.00 -0.50 0.00 0.00 59.98 60.10 2diy h ARG 34 Cb 1.32 0.06 -0.08 0.00 0.00 0.00 0.00 29.97 31.27 2diy h ARG 34 CO -0.61 0.06 -0.43 -0.07 0.00 0.00 0.00 179.97 178.92 2diy h LEU 35 N -0.98 -1.41 -3.53 3.04 3.38 -0.13 0.30 115.31 115.99 2diy h LEU 35 Ca -0.03 0.21 -0.33 0.00 0.09 0.00 0.00 57.88 57.82 2diy h LEU 35 Cb 0.44 0.61 -0.14 0.00 0.09 0.00 0.00 40.66 41.65 2diy h LEU 35 CO 0.05 -0.38 0.42 0.29 0.09 0.00 0.00 178.44 178.90 2diy n LYS 36 N -5.42 1.84 0.02 1.13 4.76 0.62 -4.35 118.16 116.75 2diy n LYS 36 Ca -0.02 -1.61 -0.19 0.00 -2.87 0.00 0.00 58.31 53.63 2diy n LYS 36 Cb 0.35 -1.64 -0.14 0.00 -1.84 0.00 0.00 35.03 31.76 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 1.55 -0.04 0.00 7.82 0.00 -0.70 -3.28 119.26 124.61 2diy h ALA 37 Ca 0.30 -0.70 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 2diy h ALA 37 Cb 0.90 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 2diy h ALA 37 CO 0.77 0.35 -0.01 1.57 0.00 0.00 0.00 179.25 181.93 2diy h LYS 38 N -0.51 0.00 -6.20 0.00 2.10 -1.78 -2.98 116.57 107.19 2diy h LYS 38 Ca -0.13 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 57.98 2diy h LYS 38 Cb 1.51 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.77 2diy h LYS 38 CO 0.10 0.01 -0.60 -1.12 -2.00 0.00 0.00 179.45 175.84 2diy s SER 39 N -5.73 4.88 0.12 7.07 0.01 -1.24 -4.94 113.70 113.87 2diy s SER 39 Ca -0.05 -0.50 -0.31 0.00 1.31 0.00 0.00 55.95 56.40 2diy s SER 39 Cb 0.14 -1.04 -0.07 0.00 0.21 0.00 0.00 66.02 65.25 2diy s SER 39 CO 0.49 -0.01 1.31 -0.22 0.41 0.00 0.00 173.24 175.22 2diy s LEU 40 N -3.71 4.39 0.13 2.44 2.96 -1.24 -4.66 118.68 118.99 2diy s LEU 40 Ca 0.32 2.25 0.05 0.00 -0.22 0.00 0.00 54.13 56.53 2diy s LEU 40 Cb -0.07 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 2diy s LEU 40 CO 0.22 -0.56 0.07 -0.22 -1.32 0.00 0.00 176.35 174.54 2diy s LEU 41 N 0.74 3.65 -0.21 -0.68 2.96 -1.09 -0.91 118.68 123.14 2diy s LEU 41 Ca 0.60 -0.15 -0.04 0.00 -0.22 0.00 0.00 54.13 54.32 2diy s LEU 41 Cb -0.34 -2.32 0.08 0.00 0.50 0.00 0.00 46.19 44.11 2diy s LEU 41 CO 0.32 0.12 0.12 -0.69 -1.32 0.00 0.00 176.35 174.90 2diy s VAL 42 N -1.55 -0.12 -0.61 1.68 1.01 0.23 -2.86 120.40 118.17 2diy s VAL 42 Ca 0.29 -0.32 -0.17 0.00 0.00 0.00 0.00 61.98 61.78 2diy s VAL 42 Cb -0.11 -0.70 0.13 0.00 0.00 0.00 0.00 36.38 35.70 2diy s VAL 42 CO 0.21 -0.39 0.62 -0.69 0.00 0.00 0.00 175.10 174.85 2diy s VAL 43 N 2.16 5.12 -0.37 2.92 1.01 -0.67 -0.94 120.40 129.64 2diy s VAL 43 Ca 0.05 -1.48 -0.21 0.00 0.00 0.00 0.00 61.98 60.34 2diy s VAL 43 Cb -0.16 -4.42 0.01 0.00 0.00 0.00 0.00 36.38 31.81 2diy s VAL 43 CO -0.17 -1.00 0.66 -2.28 0.00 0.00 0.00 175.10 172.31 2diy s HIS 44 N 1.79 3.13 -0.55 5.22 5.65 -0.69 -0.86 115.29 128.97 2diy s HIS 44 Ca 0.09 0.31 -0.27 0.00 0.25 0.00 0.00 55.06 55.43 2diy s HIS 44 Cb -0.25 -3.21 -0.01 0.00 -1.18 0.00 0.00 32.58 27.94 2diy s HIS 44 CO 0.02 -0.68 1.66 -0.06 -0.65 0.00 0.00 174.74 175.03 2diy s PHE 45 N 2.78 1.94 -0.15 3.88 0.40 0.83 -1.94 117.98 125.72 2diy s PHE 45 Ca 0.25 0.60 -0.10 0.00 -0.60 0.00 0.00 56.93 57.07 2diy s PHE 45 Cb -0.14 -4.24 -0.05 0.00 0.51 0.00 0.00 43.02 39.11 2diy s PHE 45 CO 0.16 -2.28 0.19 1.67 0.70 0.00 0.00 175.22 175.66 2diy s TRP 46 N 7.44 3.50 0.05 0.36 1.48 0.01 -3.42 118.94 128.37 2diy s TRP 46 Ca 0.62 0.50 0.07 0.00 -1.06 0.00 0.00 56.10 56.23 2diy s TRP 46 Cb -0.13 -2.15 -0.03 0.00 -1.16 0.00 0.00 33.47 29.99 2diy s TRP 46 CO 0.24 0.43 -0.16 0.00 -4.06 0.00 0.00 176.95 173.40 2diy s ALA 47 N -0.10 2.70 0.30 2.67 0.00 -1.26 -3.37 121.76 122.69 2diy s ALA 47 Ca 0.13 -1.20 0.08 0.00 0.00 0.00 0.00 51.96 50.97 2diy s ALA 47 Cb -0.12 -0.79 0.46 0.00 0.00 0.00 0.00 23.12 22.67 2diy s ALA 47 CO 0.02 0.59 1.69 -1.00 0.00 0.00 0.00 175.76 177.06 2diy h PRO 48 N 4.33 0.15 0.04 0.00 0.13 -2.00 -3.30 132.00 131.35 2diy h PRO 48 Ca -0.48 -0.08 -0.27 0.00 -0.87 0.00 0.00 66.00 64.30 2diy h PRO 48 Cb 1.16 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 2diy h PRO 48 CO 0.49 0.59 -1.46 0.11 -0.23 0.00 0.00 178.00 177.50 2diy h TRP 49 N 0.12 0.16 -1.51 1.56 5.08 -2.04 -3.45 115.95 115.87 2diy h TRP 49 Ca 0.01 -0.12 -0.61 0.00 1.08 0.00 0.00 58.89 59.25 2diy h TRP 49 Cb 0.88 -0.01 -0.01 0.00 -3.00 0.00 0.00 29.16 27.03 2diy h TRP 49 CO 0.01 1.57 1.49 0.00 -1.28 0.00 0.00 178.44 180.23 2diy n ALA 50 N -3.27 1.35 0.29 0.11 0.00 -1.24 -4.81 120.51 112.93 2diy n ALA 50 Ca -0.31 -0.25 0.17 0.00 0.00 0.00 0.00 53.44 53.05 2diy n ALA 50 Cb 0.79 -2.78 0.71 0.00 0.00 0.00 0.00 19.45 18.17 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 14.39 0.00 -0.84 0.00 0.13 -1.88 -3.13 132.00 140.66 2diy h PRO 51 Ca -0.32 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.92 2diy h PRO 51 Cb 1.28 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.33 2diy h PRO 51 CO 1.02 0.00 0.47 1.96 -0.23 0.00 0.00 178.00 181.22 2diy h GLN 52 N 0.00 0.74 -0.39 0.86 7.50 -1.94 0.23 115.11 122.12 2diy h GLN 52 Ca 0.00 -0.04 0.11 0.00 0.50 0.00 0.00 58.65 59.22 2diy h GLN 52 Cb 0.48 -0.17 -0.02 0.00 0.05 0.00 0.00 27.48 27.83 2diy h GLN 52 CO 0.00 0.49 0.75 0.00 -1.50 0.00 0.00 178.83 178.57 2diy h ALA 54 N 0.86 -0.57 -0.18 0.00 0.00 -1.18 0.37 119.26 118.56 2diy h ALA 54 Ca 0.18 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 2diy h ALA 54 Cb 1.68 0.71 0.00 0.00 0.00 0.00 0.00 17.79 20.18 2diy h ALA 54 CO -0.00 -0.63 -0.33 -0.56 0.00 0.00 0.00 179.25 177.73 2diy h GLN 55 N -0.17 0.55 0.00 0.00 -0.00 -1.62 -2.90 115.11 110.97 2diy h GLN 55 Ca 0.01 -0.35 0.00 0.00 -0.00 0.00 0.00 58.65 58.31 2diy h GLN 55 Cb 0.20 0.04 0.00 0.00 -0.00 0.00 0.00 27.48 27.72 2diy h GLN 55 CO -0.13 0.95 0.17 0.52 -0.00 0.00 0.00 178.83 180.34 2diy h MET 56 N 0.20 0.00 0.00 0.06 2.86 -1.39 0.72 114.93 117.39 2diy h MET 56 Ca 0.01 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 2diy h MET 56 Cb 0.93 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 2diy h MET 56 CO 0.08 0.00 -0.27 -0.97 1.06 0.00 0.00 176.91 176.80 2diy h ASN 57 N 0.00 0.00 -0.12 1.22 -1.24 -0.04 -3.25 115.58 112.15 2diy h ASN 57 Ca 0.00 -0.65 -0.09 0.00 0.71 0.00 0.00 56.30 56.27 2diy h ASN 57 Cb 0.33 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.37 2diy h ASN 57 CO 0.00 0.98 -0.21 1.05 -1.29 0.00 0.00 177.43 177.96 2diy h GLU 58 N -1.00 0.54 -0.95 6.67 -0.00 -1.31 -2.70 114.58 115.83 2diy h GLU 58 Ca -0.07 -0.19 0.04 0.00 -0.00 0.00 0.00 59.36 59.14 2diy h GLU 58 Cb 0.83 -0.04 -0.05 0.00 -0.00 0.00 0.00 28.75 29.49 2diy h GLU 58 CO -0.04 0.72 0.62 0.28 -0.00 0.00 0.00 179.01 180.59 2diy h VAL 59 N 0.48 1.17 -0.15 -1.06 2.07 -1.04 -2.35 116.25 115.36 2diy h VAL 59 Ca 0.08 -0.41 -0.08 0.00 0.82 0.00 0.00 66.70 67.10 2diy h VAL 59 Cb 0.63 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2diy h VAL 59 CO 0.04 0.22 -0.23 0.24 0.02 0.00 0.00 177.57 177.86 2diy h MET 60 N 1.20 0.42 -0.21 1.57 2.86 -1.53 -3.09 114.93 116.15 2diy h MET 60 Ca 0.38 -0.25 0.06 0.00 -2.06 0.00 0.00 59.70 57.82 2diy h MET 60 Cb 0.01 0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.62 2diy h MET 60 CO -0.11 0.84 -0.34 0.00 1.06 0.00 0.00 176.91 178.36 2diy h ALA 61 N 0.58 -0.35 -0.96 6.32 0.00 -1.15 0.55 119.26 124.25 2diy h ALA 61 Ca 0.01 0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.12 2diy h ALA 61 Cb 0.80 0.67 -0.08 0.00 0.00 0.00 0.00 17.79 19.17 2diy h ALA 61 CO 0.05 -0.80 0.61 0.93 0.00 0.00 0.00 179.25 180.04 2diy h GLU 62 N -0.37 0.75 -0.04 0.00 4.39 -1.50 0.14 114.58 117.95 2diy h GLU 62 Ca 0.12 -0.05 -0.19 0.00 0.34 0.00 0.00 59.36 59.58 2diy h GLU 62 Cb 0.55 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2diy h GLU 62 CO -0.42 0.50 -0.78 -0.07 -1.16 0.00 0.00 179.01 177.08 2diy h LEU 63 N 0.77 0.41 0.12 1.33 3.38 -0.98 -1.96 115.31 118.38 2diy h LEU 63 Ca 0.50 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 58.19 2diy h LEU 63 Cb 0.75 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2diy h LEU 63 CO -0.27 1.04 -0.13 0.00 0.09 0.00 0.00 178.44 179.17 2diy h ALA 64 N 0.95 -0.25 -0.19 1.53 0.00 0.21 0.28 119.26 121.78 2diy h ALA 64 Ca -0.04 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 2diy h ALA 64 Cb 1.37 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 2diy h ALA 64 CO 0.13 -0.66 -0.53 1.57 0.00 0.00 0.00 179.25 179.76 2diy h LYS 65 N -0.28 0.56 -0.58 0.00 2.10 -1.47 -3.11 116.57 113.78 2diy h LYS 65 Ca 0.01 -0.34 -0.07 0.00 -2.00 0.00 0.00 60.65 58.25 2diy h LYS 65 Cb 0.28 0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 31.62 2diy h LYS 65 CO -0.04 0.95 0.09 1.49 -2.00 0.00 0.00 179.45 179.94 2diy h GLU 66 N 0.43 0.94 -3.91 0.07 4.57 -1.10 -3.36 114.58 112.21 2diy h GLU 66 Ca 0.01 -0.23 -0.67 0.00 -1.18 0.00 0.00 59.36 57.29 2diy h GLU 66 Cb 1.07 -0.12 -0.38 0.00 -0.16 0.00 0.00 28.75 29.16 2diy h GLU 66 CO 0.10 0.87 -0.55 -0.51 -1.18 0.00 0.00 179.01 177.74 2diy s LEU 67 N -9.34 4.86 0.44 1.64 1.43 0.96 -4.93 118.68 113.73 2diy s LEU 67 Ca -0.11 -2.61 0.30 0.00 -1.03 0.00 0.00 54.13 50.68 2diy s LEU 67 Cb 0.15 -1.74 1.24 0.00 0.03 0.00 0.00 46.19 45.87 2diy s LEU 67 CO 0.82 -0.36 1.88 1.55 0.23 0.00 0.00 176.35 180.48 2diy h PRO 68 N 7.17 0.00 -0.48 1.29 0.13 -1.73 -2.51 132.00 135.88 2diy h PRO 68 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 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 0.67 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.44 2diy n GLN 69 N -2.75 2.05 -4.38 0.86 0.00 -1.26 -4.86 117.38 107.04 2diy n GLN 69 Ca 0.01 -1.25 -0.23 0.00 0.00 0.00 0.00 57.00 55.53 2diy n GLN 69 Cb 0.27 -1.43 -0.11 0.00 0.00 0.00 0.00 30.24 28.97 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 -1.63 2.07 -0.23 -0.39 1.01 -0.95 -3.64 120.40 116.65 2diy s VAL 70 Ca 0.23 -2.07 0.01 0.00 0.00 0.00 0.00 61.98 60.14 2diy s VAL 70 Cb 0.14 -2.03 0.06 0.00 0.00 0.00 0.00 36.38 34.55 2diy s VAL 70 CO 0.13 -0.31 -0.08 -0.44 0.00 0.00 0.00 175.10 174.39 2diy s SER 71 N -2.90 3.88 -0.38 3.32 0.01 -0.09 -4.98 113.70 112.56 2diy s SER 71 Ca 0.20 -1.16 -0.14 0.00 1.31 0.00 0.00 55.95 56.17 2diy s SER 71 Cb -0.06 -1.28 0.01 0.00 0.21 0.00 0.00 66.02 64.90 2diy s SER 71 CO 0.09 -0.20 0.26 -0.36 0.41 0.00 0.00 173.24 173.44 2diy s PHE 72 N 1.32 3.23 -0.14 2.43 0.40 -1.26 -0.60 117.98 123.36 2diy s PHE 72 Ca -0.05 -0.51 0.01 0.00 -0.60 0.00 0.00 56.93 55.78 2diy s PHE 72 Cb -0.18 -2.53 0.02 0.00 0.51 0.00 0.00 43.02 40.84 2diy s PHE 72 CO -0.06 -0.52 -0.17 0.14 0.70 0.00 0.00 175.22 175.31 2diy s VAL 73 N 1.68 1.73 -0.23 -0.44 -7.23 -0.11 -1.89 120.40 113.90 2diy s VAL 73 Ca 0.05 -0.75 -0.13 0.00 -1.81 0.00 0.00 61.98 59.34 2diy s VAL 73 Cb -0.18 -1.58 -0.05 0.00 0.56 0.00 0.00 36.38 35.13 2diy s VAL 73 CO 0.10 0.49 0.25 -1.59 -0.31 0.00 0.00 175.10 174.04 2diy s LYS 74 N 1.22 4.09 0.01 4.82 -2.85 0.97 -1.71 119.74 126.29 2diy s LYS 74 Ca 0.00 -0.10 0.07 0.00 -1.00 0.00 0.00 55.97 54.94 2diy s LYS 74 Cb -0.14 -3.56 -0.03 0.00 -2.06 0.00 0.00 37.83 32.05 2diy s LYS 74 CO -0.08 -0.02 -0.20 -1.17 0.10 0.00 0.00 175.35 173.98 2diy s LEU 75 N 1.28 2.46 -0.32 2.77 0.20 -0.82 -1.61 118.68 122.64 2diy s LEU 75 Ca 0.12 -0.41 -0.24 0.00 0.69 0.00 0.00 54.13 54.28 2diy s LEU 75 Cb -0.14 -1.45 0.01 0.00 -0.43 0.00 0.00 46.19 44.17 2diy s LEU 75 CO 0.07 0.29 0.84 -0.70 -0.29 0.00 0.00 176.35 176.55 2diy s GLU 76 N -1.10 3.93 0.44 1.98 2.12 -1.26 -0.81 118.70 124.01 2diy s GLU 76 Ca 0.13 0.61 0.11 0.00 0.36 0.00 0.00 54.97 56.18 2diy s GLU 76 Cb -0.10 -3.75 1.00 0.00 0.26 0.00 0.00 34.13 31.54 2diy s GLU 76 CO 0.03 -0.76 2.04 0.00 -0.54 0.00 0.00 175.26 176.03 2diy h ALA 77 N 8.20 1.89 0.00 6.30 0.00 -1.86 0.21 119.26 134.01 2diy h ALA 77 Ca -0.24 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 2diy h ALA 77 Cb 1.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2diy h ALA 77 CO 0.92 0.04 -1.31 0.39 0.00 0.00 0.00 179.25 179.29 2diy n GLU 78 N -4.48 0.62 -0.07 0.00 -0.58 -1.26 -4.14 120.64 110.74 2diy n GLU 78 Ca 0.05 0.10 -0.14 0.00 -0.42 0.00 0.00 57.16 56.75 2diy n GLU 78 Cb 0.20 -1.77 -0.13 0.00 -0.57 0.00 0.00 31.44 29.18 2diy n GLU 78 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2diy h GLY 79 N 3.93 0.01 -7.26 0.62 0.00 -1.64 -3.40 103.07 95.31 2diy h GLY 79 Ca -0.06 -0.02 -0.68 0.00 0.00 0.00 0.00 47.33 46.57 2diy h GLY 79 CO 0.01 0.02 -0.26 0.14 0.00 0.00 0.00 176.54 176.44 2diy s VAL 80 N -2.26 3.85 0.29 4.60 1.01 0.65 -4.89 120.40 123.64 2diy s VAL 80 Ca -0.19 -3.93 0.16 0.00 0.00 0.00 0.00 61.98 58.02 2diy s VAL 80 Cb -0.03 -3.43 0.10 0.00 0.00 0.00 0.00 36.38 33.02 2diy s VAL 80 CO 0.69 -1.04 1.77 1.55 0.00 0.00 0.00 175.10 178.07 2diy h PRO 81 N 5.90 0.00 -0.84 2.72 0.13 -1.80 -3.13 132.00 134.99 2diy h PRO 81 Ca 0.14 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 65.48 2diy h PRO 81 Cb 0.81 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.80 2diy h PRO 81 CO 0.80 0.40 0.21 1.49 -0.23 0.00 0.00 178.00 180.68 2diy h GLU 82 N 0.00 0.23 0.04 0.86 4.57 -1.93 0.12 114.58 118.47 2diy h GLU 82 Ca -0.00 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.09 2diy h GLU 82 Cb 0.80 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 2diy h GLU 82 CO 0.05 0.15 -0.33 0.28 -1.18 0.00 0.00 179.01 177.98 2diy h VAL 83 N 0.23 1.65 -0.96 0.32 2.07 -1.96 -3.26 116.25 114.34 2diy h VAL 83 Ca 0.51 -2.39 0.26 0.00 0.82 0.00 0.00 66.70 65.89 2diy h VAL 83 Cb 0.97 3.26 -0.13 0.00 -1.52 0.00 0.00 31.29 33.87 2diy h VAL 83 CO -0.61 0.63 0.49 0.28 0.02 0.00 0.00 177.57 178.38 2diy h SER 84 N -0.81 0.46 0.65 0.57 0.02 -1.32 -1.13 113.55 111.99 2diy h SER 84 Ca -0.07 0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 2diy h SER 84 Cb 1.21 0.11 0.01 0.00 0.14 0.00 0.00 62.40 63.87 2diy h SER 84 CO 0.03 -0.01 -0.31 -0.08 -1.14 0.00 0.00 176.83 175.32 2diy h GLU 85 N 0.42 -0.84 -0.65 3.45 4.57 -0.90 1.90 114.58 122.54 2diy h GLU 85 Ca 0.63 0.06 0.08 0.00 -1.18 0.00 0.00 59.36 58.95 2diy h GLU 85 Cb 1.28 0.19 -0.10 0.00 -0.16 0.00 0.00 28.75 29.95 2diy h GLU 85 CO -0.54 -0.52 -0.51 -0.22 -1.18 0.00 0.00 179.01 176.04 2diy h LYS 86 N -1.00 -0.21 0.00 1.92 3.64 -1.26 0.36 116.57 120.01 2diy h LYS 86 Ca -0.09 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2diy h LYS 86 Cb 0.70 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 2diy h LYS 86 CO 0.15 -0.14 -0.01 0.66 -2.27 0.00 0.00 179.45 177.83 2diy n TYR 87 N -5.36 0.68 -3.25 1.91 4.01 -0.86 -4.94 117.16 109.35 2diy n TYR 87 Ca 0.01 0.20 -0.16 0.00 -0.16 0.00 0.00 57.90 57.79 2diy n TYR 87 Cb 0.33 -0.82 0.07 0.00 -0.31 0.00 0.00 39.34 38.61 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 -2.06 -5.81 -2.74 -0.72 1.02 0.60 -4.92 120.64 106.01 2diy n GLU 88 Ca 0.06 0.71 -0.42 0.00 -0.02 0.00 0.00 57.16 57.48 2diy n GLU 88 Cb 0.41 -5.32 -0.03 0.00 -0.02 0.00 0.00 31.44 26.48 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 -3.29 4.32 -0.57 -3.67 -1.09 0.16 -4.82 121.20 112.24 2diy s ILE 89 Ca 0.11 -1.23 0.00 0.00 -2.23 0.00 0.00 60.65 57.31 2diy s ILE 89 Cb -0.05 -4.94 0.46 0.00 -1.58 0.00 0.00 42.46 36.35 2diy s ILE 89 CO 0.61 -1.74 1.82 -0.24 -1.23 0.00 0.00 174.94 174.16 2diy n SER 90 N 7.73 6.90 -3.63 3.58 2.88 -1.26 -4.90 113.62 124.92 2diy n SER 90 Ca 0.30 -3.78 -0.12 0.00 -1.33 0.00 0.00 58.87 53.94 2diy n SER 90 Cb 0.50 -0.81 -0.07 0.00 -0.75 0.00 0.00 64.21 63.07 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 -2.27 -0.79 0.01 -3.46 0.01 -1.26 -5.18 113.70 100.77 2diy s SER 91 Ca 0.61 1.43 -0.06 0.00 1.31 0.00 0.00 55.95 59.24 2diy s SER 91 Cb 0.48 1.41 -0.00 0.00 0.21 0.00 0.00 66.02 68.12 2diy s SER 91 CO 0.00 -0.24 0.11 0.68 0.41 0.00 0.00 173.24 174.20 2diy s VAL 92 N 0.76 0.10 0.88 3.43 -7.23 -1.26 -4.18 120.40 112.90 2diy s VAL 92 Ca -0.03 -0.83 -0.11 0.00 -1.81 0.00 0.00 61.98 59.20 2diy s VAL 92 Cb -0.05 -0.53 0.12 0.00 0.56 0.00 0.00 36.38 36.48 2diy s VAL 92 CO -0.06 -0.45 1.09 -2.16 -0.31 0.00 0.00 175.10 173.21 2diy s PRO 93 N -1.72 1.35 -0.30 4.82 0.04 -1.26 -4.90 135.00 133.03 2diy s PRO 93 Ca -0.12 0.85 -0.07 0.00 0.04 0.00 0.00 61.00 61.70 2diy s PRO 93 Cb -0.06 -1.82 0.16 0.00 0.04 0.00 0.00 34.50 32.82 2diy s PRO 93 CO -0.00 -2.18 0.65 0.99 0.04 0.00 0.00 177.00 176.49 2diy s THR 94 N -2.93 -0.97 -0.04 1.26 2.01 -1.22 -3.40 115.64 110.35 2diy s THR 94 Ca 0.63 0.00 -0.13 0.00 0.31 0.00 0.00 61.69 62.50 2diy s THR 94 Cb -0.18 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.28 2diy s THR 94 CO 0.57 0.00 0.34 -0.36 -0.69 0.00 0.00 174.62 174.48 2diy s PHE 95 N 2.87 3.68 -0.20 4.92 0.40 -0.74 -0.12 117.98 128.79 2diy s PHE 95 Ca 0.05 0.86 0.00 0.00 -0.60 0.00 0.00 56.93 57.25 2diy s PHE 95 Cb -0.13 -2.21 0.05 0.00 0.51 0.00 0.00 43.02 41.24 2diy s PHE 95 CO -0.20 0.65 -0.07 -0.51 0.70 0.00 0.00 175.22 175.79 2diy s LEU 96 N -0.98 2.22 -0.29 -0.37 1.43 -0.04 -1.68 118.68 118.96 2diy s LEU 96 Ca 0.21 -0.94 -0.25 0.00 -1.03 0.00 0.00 54.13 52.11 2diy s LEU 96 Cb -0.15 -1.13 0.00 0.00 0.03 0.00 0.00 46.19 44.94 2diy s LEU 96 CO 0.11 -0.19 0.89 -0.36 0.23 0.00 0.00 176.35 177.02 2diy s PHE 97 N 1.46 3.22 -0.23 0.29 0.40 -0.92 -1.67 117.98 120.52 2diy s PHE 97 Ca -0.03 1.01 0.02 0.00 -0.60 0.00 0.00 56.93 57.34 2diy s PHE 97 Cb -0.17 -3.31 0.05 0.00 0.51 0.00 0.00 43.02 40.10 2diy s PHE 97 CO -0.07 -0.58 -0.12 -0.06 0.70 0.00 0.00 175.22 175.09 2diy s PHE 98 N 3.13 2.97 -0.29 0.36 0.08 -1.13 -2.24 117.98 120.85 2diy s PHE 98 Ca 0.37 -2.04 -0.02 0.00 0.12 0.00 0.00 56.93 55.36 2diy s PHE 98 Cb -0.14 -1.85 0.04 0.00 -0.57 0.00 0.00 43.02 40.51 2diy s PHE 98 CO 0.12 -0.84 -0.01 0.15 -0.10 0.00 0.00 175.22 174.54 2diy s LYS 99 N 1.21 2.54 -0.59 0.44 1.02 -0.84 -2.68 119.74 120.84 2diy s LYS 99 Ca -0.05 -1.19 -0.03 0.00 0.02 0.00 0.00 55.97 54.72 2diy s LYS 99 Cb -0.18 -3.13 0.00 0.00 -0.52 0.00 0.00 37.83 34.00 2diy s LYS 99 CO -0.07 -0.56 0.45 -1.71 -0.92 0.00 0.00 175.35 172.54 2diy n ASN 100 N 4.64 -3.79 -2.91 2.83 2.85 -1.13 -3.08 115.26 114.67 2diy n ASN 100 Ca -0.14 -0.21 -0.21 0.00 -0.11 0.00 0.00 54.58 53.91 2diy n ASN 100 Cb 0.44 -2.41 0.04 0.00 1.24 0.00 0.00 39.78 39.09 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 -0.34 -5.87 -3.57 1.20 3.41 -1.26 -4.99 113.62 102.20 2diy n SER 101 Ca -0.01 -0.31 -0.10 0.00 -0.26 0.00 0.00 58.87 58.19 2diy n SER 101 Cb 0.53 -4.66 -0.10 0.00 -0.26 0.00 0.00 64.21 59.72 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 -5.73 0.28 0.13 4.33 -0.21 -1.18 -5.12 119.66 112.16 2diy s GLN 102 Ca 0.33 0.80 -0.31 0.00 0.02 0.00 0.00 55.36 56.20 2diy s GLN 102 Cb -0.15 -0.03 -0.11 0.00 1.00 0.00 0.00 33.01 33.73 2diy s GLN 102 CO 0.41 -0.38 1.83 1.17 -2.12 0.00 0.00 175.29 176.20 2diy n LYS 103 N 5.37 2.79 -0.01 2.91 4.81 -1.26 -1.98 118.16 130.80 2diy n LYS 103 Ca -0.07 1.01 -0.01 0.00 -0.87 0.00 0.00 58.31 58.38 2diy n LYS 103 Cb 0.50 -2.91 -0.02 0.00 0.02 0.00 0.00 35.03 32.62 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 4.65 0.11 -4.12 3.15 -5.35 -0.95 -4.94 119.36 111.90 2diy n ILE 104 Ca 0.18 -0.07 -0.11 0.00 -0.27 0.00 0.00 62.75 62.48 2diy n ILE 104 Cb 0.37 -0.72 -0.09 0.00 -1.74 0.00 0.00 39.64 37.46 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 -3.07 0.14 -0.28 7.28 2.15 -1.23 -5.06 116.67 116.60 2diy s ASP 105 Ca -0.01 -1.19 -0.20 0.00 0.43 0.00 0.00 52.55 51.57 2diy s ASP 105 Cb 0.01 0.39 0.09 0.00 -0.30 0.00 0.00 42.92 43.11 2diy s ASP 105 CO 0.08 -0.86 0.77 -0.60 -0.17 0.00 0.00 175.17 174.39 2diy s ARG 106 N -4.08 0.70 -0.23 4.34 3.52 -1.26 -2.16 118.95 119.78 2diy s ARG 106 Ca 0.29 1.01 0.01 0.00 -0.13 0.00 0.00 55.73 56.91 2diy s ARG 106 Cb 0.05 0.24 0.04 0.00 -1.56 0.00 0.00 34.95 33.73 2diy s ARG 106 CO 0.07 -0.11 -0.13 -1.17 -0.81 0.00 0.00 175.30 173.15 2diy s LEU 107 N 0.98 2.94 -0.19 -0.88 0.20 -0.68 -5.02 118.68 116.03 2diy s LEU 107 Ca -0.05 -1.01 -0.08 0.00 0.69 0.00 0.00 54.13 53.69 2diy s LEU 107 Cb -0.05 -1.56 -0.04 0.00 -0.43 0.00 0.00 46.19 44.12 2diy s LEU 107 CO -0.10 -0.11 0.07 1.51 -0.29 0.00 0.00 176.35 177.43 2diy s ASP 108 N 1.22 5.60 0.00 3.68 -4.77 -1.26 -1.79 116.67 119.35 2diy s ASP 108 Ca -0.02 0.05 0.00 0.00 -3.30 0.00 0.00 52.55 49.28 2diy s ASP 108 Cb -0.17 -1.97 0.00 0.00 -1.09 0.00 0.00 42.92 39.70 2diy s ASP 108 CO -0.08 0.14 0.00 0.61 0.70 0.00 0.00 175.17 176.55 2diy n GLY 109 N 3.75 1.89 3.58 2.12 0.00 -1.22 -4.92 105.19 110.38 2diy n GLY 109 Ca -0.16 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 43.94 2diy n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2diy n ALA 110 N 2.39 1.64 -3.75 4.61 0.00 -1.26 -4.92 120.51 119.23 2diy n ALA 110 Ca 0.00 -0.30 -0.24 0.00 0.00 0.00 0.00 53.44 52.90 2diy n ALA 110 Cb 0.00 -2.91 -0.17 0.00 0.00 0.00 0.00 19.45 16.36 2diy n ALA 110 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2diy s HIS 111 N 8.61 0.69 -0.01 0.00 4.02 -1.26 -5.05 115.29 122.29 2diy s HIS 111 Ca 1.02 -0.31 -0.21 0.00 1.02 0.00 0.00 55.06 56.57 2diy s HIS 111 Cb -0.37 -0.83 -0.12 0.00 -1.02 0.00 0.00 32.58 30.24 2diy s HIS 111 CO 0.36 -0.40 0.88 0.00 1.02 0.00 0.00 174.74 176.59 2diy h ALA 112 N 8.32 -0.77 -0.01 -1.40 0.00 -1.97 -2.87 119.26 120.56 2diy h ALA 112 Ca -0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2diy h ALA 112 Cb 1.13 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 2diy h ALA 112 CO 0.27 -0.71 -0.01 -1.00 0.00 0.00 0.00 179.25 177.80 2diy h PRO 113 N -1.19 0.03 -1.01 0.00 0.13 -2.00 -3.01 132.00 124.94 2diy h PRO 113 Ca -0.08 -0.02 0.24 0.00 -0.87 0.00 0.00 66.00 65.28 2diy h PRO 113 Cb 0.58 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.62 2diy h PRO 113 CO 0.13 0.51 0.64 1.49 -0.23 0.00 0.00 178.00 180.54 2diy h GLU 114 N -0.44 0.47 0.58 0.86 4.57 -1.99 -1.73 114.58 116.89 2diy h GLU 114 Ca 0.00 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 2diy h GLU 114 Cb 0.51 -0.11 0.01 0.00 -0.16 0.00 0.00 28.75 29.00 2diy h GLU 114 CO 0.00 0.31 -0.28 1.25 -1.18 0.00 0.00 179.01 179.12 2diy h LEU 115 N 0.48 -0.66 -0.65 1.64 5.85 -1.48 -2.94 115.31 117.56 2diy h LEU 115 Ca 0.58 0.02 0.09 0.00 0.84 0.00 0.00 57.88 59.41 2diy h LEU 115 Cb 1.32 0.17 -0.11 0.00 0.37 0.00 0.00 40.66 42.41 2diy h LEU 115 CO -0.31 -0.34 -0.48 0.74 -0.34 0.00 0.00 178.44 177.71 2diy h THR 116 N -1.03 0.05 -0.49 1.05 2.02 -1.27 0.11 112.91 113.34 2diy h THR 116 Ca -0.08 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.15 2diy h THR 116 Cb 0.59 0.05 -0.07 0.00 -1.74 0.00 0.00 68.15 66.98 2diy h THR 116 CO 0.13 0.00 -0.44 0.11 0.37 0.00 0.00 175.52 175.69 2diy h LYS 117 N -0.20 -0.19 -0.87 6.66 1.57 -1.42 0.30 116.57 122.43 2diy h LYS 117 Ca 0.17 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 59.09 2diy h LYS 117 Cb 0.55 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.82 2diy h LYS 117 CO -0.74 -0.12 0.48 0.87 -0.57 0.00 0.00 179.45 179.37 2diy h LYS 118 N -0.19 0.71 0.77 3.15 1.57 -1.14 -0.46 116.57 120.98 2diy h LYS 118 Ca 0.08 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 2diy h LYS 118 Cb 0.41 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2diy h LYS 118 CO -0.56 0.47 -0.44 0.28 -0.57 0.00 0.00 179.45 178.63 2diy h VAL 119 N 0.73 0.00 -0.24 0.50 2.07 0.17 0.37 116.25 119.86 2diy h VAL 119 Ca 0.45 0.00 0.06 0.00 0.82 0.00 0.00 66.70 68.03 2diy h VAL 119 Cb 0.54 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.25 2diy h VAL 119 CO -0.31 0.00 -0.21 1.56 0.02 0.00 0.00 177.57 178.63 2diy h GLN 120 N -1.12 -0.20 0.22 1.57 4.20 -0.22 0.74 115.11 120.30 2diy h GLN 120 Ca -0.10 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.62 2diy h GLN 120 Cb 0.89 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.69 2diy h GLN 120 CO 0.13 -0.13 -0.39 -0.09 -0.67 0.00 0.00 178.83 177.67 2diy h ARG 121 N -0.21 -0.63 0.00 1.46 2.43 -1.03 -0.27 114.38 116.13 2diy h ARG 121 Ca 0.14 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2diy h ARG 121 Cb 0.41 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2diy h ARG 121 CO -0.36 -0.42 0.00 0.72 -1.51 0.00 0.00 179.97 178.40 2diy n HIS 122 N -4.70 0.55 -0.31 2.20 8.25 0.11 -1.56 115.22 119.75 2diy n HIS 122 Ca -0.08 0.26 -0.01 0.00 -0.26 0.00 0.00 57.72 57.63 2diy n HIS 122 Cb 0.33 -0.91 0.23 0.00 1.12 0.00 0.00 29.99 30.75 2diy n HIS 122 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2diy n ALA 123 N -1.70 3.74 -3.60 -1.41 0.00 0.26 -4.59 120.51 113.21 2diy n ALA 123 Ca 0.00 -1.45 -0.29 0.00 0.00 0.00 0.00 53.44 51.71 2diy n ALA 123 Cb 0.10 -1.14 -0.09 0.00 0.00 0.00 0.00 19.45 18.32 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 0.13 3.71 -3.93 0.00 2.88 -0.60 -4.95 113.62 110.85 2diy n SER 124 Ca 0.24 -3.33 -0.09 0.00 -1.33 0.00 0.00 58.87 54.36 2diy n SER 124 Cb 0.99 -0.78 -0.07 0.00 -0.75 0.00 0.00 64.21 63.60 2diy n SER 124 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2diy s SER 125 N -1.82 0.10 0.00 -3.46 0.15 -1.26 -5.08 113.70 102.32 2diy s SER 125 Ca 0.33 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 56.17 2diy s SER 125 Cb 0.05 0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 2diy s SER 125 CO -0.08 -0.81 0.00 0.61 1.20 0.00 0.00 173.24 174.17 2diy n GLY 126 N -0.13 -1.98 0.00 9.45 0.00 -1.26 -4.88 105.19 106.39 2diy n GLY 126 Ca -0.11 -0.51 0.06 0.00 0.00 0.00 0.00 46.02 45.46 2diy n GLY 126 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2diy n PRO 127 N 0.26 0.49 -0.30 1.61 -0.04 -1.26 -4.10 135.00 131.66 2diy n PRO 127 Ca 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.42 2diy n PRO 127 Cb 0.00 -1.37 -0.01 0.00 -0.04 0.00 0.00 33.50 32.08 2diy n PRO 127 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2diy n SER 128 N -0.87 -0.62 -4.74 3.54 7.64 -1.26 -4.20 113.62 113.11 2diy n SER 128 Ca 0.09 1.34 -0.41 0.00 1.01 0.00 0.00 58.87 60.90 2diy n SER 128 Cb 0.04 -0.25 -0.03 0.00 -1.01 0.00 0.00 64.21 62.95 2diy n SER 128 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2diy s SER 129 N -5.32 7.08 0.00 6.43 1.04 -1.26 -5.32 113.70 116.36 2diy s SER 129 Ca -0.10 2.23 0.22 0.00 0.48 0.00 0.00 55.95 58.78 2diy s SER 129 Cb 0.13 -2.61 0.17 0.00 0.10 0.00 0.00 66.02 63.82 2diy s SER 129 CO 0.52 -0.38 1.20 0.61 0.98 0.00 0.00 173.24 176.16