#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 4.51 0.49 1.61 1.04 -1.26 -5.13 113.70 114.96 2diy s SER 2 Ca 0.00 -0.27 0.03 0.00 0.48 0.00 0.00 55.95 56.19 2diy s SER 2 Cb 0.00 -0.20 -0.02 0.00 0.10 0.00 0.00 66.02 65.90 2diy s SER 2 CO 0.00 -1.74 0.05 -0.55 0.98 0.00 0.00 173.24 171.98 2diy s SER 3 N -4.68 4.15 0.04 7.02 0.15 -1.26 -5.16 113.70 113.95 2diy s SER 3 Ca 0.65 -1.53 -0.16 0.00 0.70 0.00 0.00 55.95 55.61 2diy s SER 3 Cb -0.06 0.27 0.03 0.00 -1.71 0.00 0.00 66.02 64.55 2diy s SER 3 CO 0.43 -0.78 0.35 -0.83 1.20 0.00 0.00 173.24 173.62 2diy s GLY 4 N -3.89 -0.19 -0.01 9.45 0.00 -1.26 -5.17 107.32 106.25 2diy s GLY 4 Ca 0.16 0.18 -0.11 0.00 0.00 0.00 0.00 44.72 44.96 2diy s GLY 4 CO 0.09 -0.05 0.22 -0.56 0.00 0.00 0.00 173.10 172.80 2diy s SER 5 N -1.94 -0.09 -0.29 1.64 0.01 -1.26 -5.15 113.70 106.62 2diy s SER 5 Ca -0.06 -0.03 -0.03 0.00 1.31 0.00 0.00 55.95 57.14 2diy s SER 5 Cb -0.01 0.27 0.17 0.00 0.21 0.00 0.00 66.02 66.66 2diy s SER 5 CO -0.02 -0.38 0.59 -0.44 0.41 0.00 0.00 173.24 173.40 2diy s SER 6 N -1.25 -1.22 -0.29 2.44 0.01 -1.26 -5.12 113.70 107.01 2diy s SER 6 Ca -0.13 0.95 0.02 0.00 1.31 0.00 0.00 55.95 58.09 2diy s SER 6 Cb -0.06 2.10 0.16 0.00 0.21 0.00 0.00 66.02 68.43 2diy s SER 6 CO 0.03 -0.26 0.39 -0.83 0.41 0.00 0.00 173.24 172.98 2diy s GLY 7 N 2.84 -0.49 -0.21 3.44 0.00 -1.26 -5.11 107.32 106.53 2diy s GLY 7 Ca 0.16 0.08 -0.04 0.00 0.00 0.00 0.00 44.72 44.92 2diy s GLY 7 CO -0.20 2.98 0.29 1.06 0.00 0.00 0.00 173.10 177.23 2diy s MET 8 N 2.46 0.25 -0.30 2.90 1.00 -1.26 -5.13 119.30 119.23 2diy s MET 8 Ca 0.10 0.44 -0.11 0.00 0.00 0.00 0.00 55.69 56.11 2diy s MET 8 Cb -0.13 -0.71 -0.04 0.00 0.00 0.00 0.00 34.83 33.95 2diy s MET 8 CO -0.30 -0.58 0.19 0.00 0.00 0.00 0.00 175.02 174.33 2diy s ALA 9 N 2.43 3.46 0.21 3.03 0.00 -1.26 -4.98 121.76 124.65 2diy s ALA 9 Ca 0.08 -1.20 -0.13 0.00 0.00 0.00 0.00 51.96 50.71 2diy s ALA 9 Cb -0.15 -2.48 0.25 0.00 0.00 0.00 0.00 23.12 20.73 2diy s ALA 9 CO -0.13 -0.69 1.64 0.00 0.00 0.00 0.00 175.76 176.58 2diy h ALA 10 N 8.39 0.47 0.00 0.00 0.00 -2.08 -3.45 119.26 122.58 2diy h ALA 10 Ca -0.34 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2diy h ALA 10 Cb 1.18 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.38 2diy h ALA 10 CO 0.58 -0.42 0.00 0.41 0.00 0.00 0.00 179.25 179.82 2diy n GLY 11 N -1.40 0.51 3.48 0.00 0.00 -1.26 -5.05 105.19 101.47 2diy n GLY 11 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 2diy n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2diy n ALA 12 N 0.00 0.45 -3.22 4.61 0.00 -1.26 -4.87 120.51 116.21 2diy n ALA 12 Ca 0.00 -0.35 -0.38 0.00 0.00 0.00 0.00 53.44 52.71 2diy n ALA 12 Cb 0.00 -2.46 -0.12 0.00 0.00 0.00 0.00 19.45 16.87 2diy n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2diy s ALA 13 N 9.20 3.13 0.55 0.00 0.00 -1.26 -5.09 121.76 128.29 2diy s ALA 13 Ca 1.24 -1.86 -0.19 0.00 0.00 0.00 0.00 51.96 51.15 2diy s ALA 13 Cb -1.03 -2.39 -0.06 0.00 0.00 0.00 0.00 23.12 19.64 2diy s ALA 13 CO 0.46 -1.43 1.13 -1.83 0.00 0.00 0.00 175.76 174.10 2diy s GLU 14 N 1.41 3.33 -0.49 0.00 4.04 -1.26 -4.80 118.70 120.94 2diy s GLU 14 Ca 0.00 1.62 -0.36 0.00 0.04 0.00 0.00 54.97 56.27 2diy s GLU 14 Cb -0.20 -2.00 -0.16 0.00 0.02 0.00 0.00 34.13 31.78 2diy s GLU 14 CO 0.03 -0.87 1.88 0.00 -1.84 0.00 0.00 175.26 174.46 2diy n ALA 15 N -1.33 0.19 -3.70 -0.84 0.00 -1.26 -4.89 120.51 108.69 2diy n ALA 15 Ca 0.12 0.10 -0.21 0.00 0.00 0.00 0.00 53.44 53.45 2diy n ALA 15 Cb 0.51 -1.78 -0.18 0.00 0.00 0.00 0.00 19.45 18.00 2diy n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2diy s ALA 16 N 5.46 0.36 -0.14 0.00 0.00 -1.26 -5.13 121.76 121.05 2diy s ALA 16 Ca 1.04 0.10 -0.23 0.00 0.00 0.00 0.00 51.96 52.86 2diy s ALA 16 Cb -1.24 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.21 2diy s ALA 16 CO 0.54 -0.47 0.73 0.08 0.00 0.00 0.00 175.76 176.63 2diy s VAL 17 N 2.09 4.98 -0.78 0.00 1.01 -1.26 -4.96 120.40 121.47 2diy s VAL 17 Ca 0.05 1.45 -0.02 0.00 0.00 0.00 0.00 61.98 63.46 2diy s VAL 17 Cb -0.12 -4.05 0.39 0.00 0.00 0.00 0.00 36.38 32.59 2diy s VAL 17 CO -0.04 0.13 2.03 0.00 0.00 0.00 0.00 175.10 177.22 2diy n ALA 18 N 4.65 6.46 -2.52 5.51 0.00 -1.26 -4.94 120.51 128.41 2diy n ALA 18 Ca 0.01 -3.90 -0.24 0.00 0.00 0.00 0.00 53.44 49.31 2diy n ALA 18 Cb 0.50 -1.91 -0.12 0.00 0.00 0.00 0.00 19.45 17.91 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 -3.99 1.88 -0.07 0.00 0.00 -1.26 -4.66 121.76 113.67 2diy s ALA 19 Ca 0.56 -1.29 -0.27 0.00 0.00 0.00 0.00 51.96 50.96 2diy s ALA 19 Cb 0.46 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.30 2diy s ALA 19 CO -0.28 0.37 0.87 0.08 0.00 0.00 0.00 175.76 176.80 2diy s VAL 20 N -1.23 4.92 0.33 0.00 1.01 -1.26 -4.92 120.40 119.25 2diy s VAL 20 Ca 0.08 1.79 -0.27 0.00 0.00 0.00 0.00 61.98 63.57 2diy s VAL 20 Cb -0.10 -4.20 -0.09 0.00 0.00 0.00 0.00 36.38 31.99 2diy s VAL 20 CO 0.05 0.14 1.09 -1.61 0.00 0.00 0.00 175.10 174.77 2diy s GLU 21 N 1.28 4.43 -0.42 2.72 2.02 -1.20 -4.85 118.70 122.69 2diy s GLU 21 Ca 0.44 1.71 -0.15 0.00 0.02 0.00 0.00 54.97 56.99 2diy s GLU 21 Cb -0.19 -2.93 0.03 0.00 0.10 0.00 0.00 34.13 31.14 2diy s GLU 21 CO 0.21 0.05 0.33 -1.83 0.02 0.00 0.00 175.26 174.03 2diy s GLU 22 N -1.87 2.98 -0.43 1.61 -1.05 -1.26 -2.25 118.70 116.43 2diy s GLU 22 Ca 0.50 -1.03 -0.17 0.00 -0.15 0.00 0.00 54.97 54.12 2diy s GLU 22 Cb -0.28 -4.00 0.03 0.00 -0.44 0.00 0.00 34.13 29.44 2diy s GLU 22 CO 0.36 -0.79 0.42 0.08 0.95 0.00 0.00 175.26 176.28 2diy s VAL 23 N 1.73 5.13 -0.41 1.83 1.01 -1.08 -4.93 120.40 123.67 2diy s VAL 23 Ca 0.06 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.55 2diy s VAL 23 Cb -0.19 -4.05 0.50 0.00 0.00 0.00 0.00 36.38 32.64 2diy s VAL 23 CO 0.10 -0.45 1.60 0.61 0.00 0.00 0.00 175.10 176.96 2diy n GLY 24 N 5.14 5.45 3.61 4.51 0.00 -1.26 -4.15 105.19 118.48 2diy n GLY 24 Ca -0.09 -1.81 -0.08 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.45 -0.30 0.26 1.61 1.04 -1.26 -4.76 113.70 107.83 2diy s SER 25 Ca 0.53 0.41 -0.03 0.00 0.48 0.00 0.00 55.95 57.35 2diy s SER 25 Cb 0.44 0.36 0.32 0.00 0.10 0.00 0.00 66.02 67.25 2diy s SER 25 CO 0.02 -0.21 1.76 0.00 0.98 0.00 0.00 173.24 175.79 2diy h ALA 26 N 2.90 1.10 -0.64 5.32 0.00 -1.93 -2.85 119.26 123.15 2diy h ALA 26 Ca -0.20 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.49 2diy h ALA 26 Cb 1.17 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 2diy h ALA 26 CO 0.24 0.58 0.39 0.78 0.00 0.00 0.00 179.25 181.24 2diy h GLY 27 N 0.98 0.92 0.84 0.00 0.00 -1.98 0.10 103.07 103.93 2diy h GLY 27 Ca 0.16 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 2diy h GLY 27 CO 0.01 0.25 -0.06 -1.61 0.00 0.00 0.00 176.54 175.13 2diy h GLN 28 N 0.77 -0.17 0.65 4.80 4.15 -1.93 -1.22 115.11 122.15 2diy h GLN 28 Ca 0.26 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.66 2diy h GLN 28 Cb 0.03 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.76 2diy h GLN 28 CO -0.11 0.02 -0.38 0.35 -1.93 0.00 0.00 178.83 176.79 2diy h PHE 29 N -0.34 -1.01 -1.03 3.99 3.57 -1.32 -0.27 116.94 120.53 2diy h PHE 29 Ca -0.02 -0.01 0.27 0.00 3.53 0.00 0.00 57.97 61.73 2diy h PHE 29 Cb 0.27 0.35 -0.12 0.00 2.79 0.00 0.00 35.95 39.25 2diy h PHE 29 CO -0.02 -0.58 0.63 0.93 -2.23 0.00 0.00 178.31 177.04 2diy h GLU 30 N -0.96 0.47 0.56 1.11 5.08 -1.04 -1.26 114.58 118.54 2diy h GLU 30 Ca -0.09 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 2diy h GLU 30 Cb 0.76 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.91 2diy h GLU 30 CO 0.10 0.31 -0.27 1.49 -1.00 0.00 0.00 179.01 179.64 2diy h GLU 31 N 0.48 -0.72 -0.79 2.33 4.81 -0.87 -3.16 114.58 116.66 2diy h GLU 31 Ca 0.64 0.05 0.18 0.00 -0.13 0.00 0.00 59.36 60.10 2diy h GLU 31 Cb 1.40 0.16 -0.14 0.00 0.63 0.00 0.00 28.75 30.81 2diy h GLU 31 CO -0.43 -0.42 -0.02 1.25 -0.73 0.00 0.00 179.01 178.66 2diy h LEU 32 N -0.99 -0.42 -1.46 1.64 5.85 0.10 0.40 115.31 120.42 2diy h LEU 32 Ca -0.08 0.21 0.44 0.00 0.84 0.00 0.00 57.88 59.30 2diy h LEU 32 Cb 0.64 0.38 -0.12 0.00 0.37 0.00 0.00 40.66 41.93 2diy h LEU 32 CO 0.13 -0.21 0.89 -0.07 -0.34 0.00 0.00 178.44 178.84 2diy h LEU 33 N 0.08 0.22 0.38 2.25 3.38 -1.35 0.31 115.31 120.58 2diy h LEU 33 Ca 0.43 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.50 2diy h LEU 33 Cb 0.75 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2diy h LEU 33 CO -0.72 -0.16 -0.18 0.03 0.09 0.00 0.00 178.44 177.50 2diy h ARG 34 N 0.08 -0.49 0.08 1.13 2.47 -0.28 -1.61 114.38 115.77 2diy h ARG 34 Ca 0.82 0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 59.57 2diy h ARG 34 Cb 2.65 0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 31.07 2diy h ARG 34 CO -0.38 -0.18 -0.06 -0.07 0.56 0.00 0.00 179.97 179.84 2diy h LEU 35 N -0.93 -0.16 -3.25 3.04 -0.00 -0.65 -2.36 115.31 111.01 2diy h LEU 35 Ca -0.05 0.01 -0.28 0.00 -0.00 0.00 0.00 57.88 57.56 2diy h LEU 35 Cb 0.54 0.05 -0.14 0.00 -0.00 0.00 0.00 40.66 41.12 2diy h LEU 35 CO 0.09 -0.10 0.37 0.29 -0.00 0.00 0.00 178.44 179.08 2diy n LYS 36 N -5.17 1.70 -0.07 1.13 4.76 0.78 -4.37 118.16 116.92 2diy n LYS 36 Ca -0.08 -1.46 -0.14 0.00 -2.87 0.00 0.00 58.31 53.76 2diy n LYS 36 Cb 0.10 -1.57 -0.05 0.00 -1.84 0.00 0.00 35.03 31.66 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 1.49 0.37 0.00 7.82 0.00 -0.72 -3.16 119.26 125.06 2diy h ALA 37 Ca 0.29 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 2diy h ALA 37 Cb 1.28 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2diy h ALA 37 CO 0.65 0.49 -0.60 1.57 0.00 0.00 0.00 179.25 181.36 2diy h LYS 38 N 0.42 0.00 -6.35 0.00 2.10 -1.82 -0.20 116.57 110.73 2diy h LYS 38 Ca 0.02 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 58.11 2diy h LYS 38 Cb 1.01 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.31 2diy h LYS 38 CO 0.09 0.60 -0.14 -1.12 -2.00 0.00 0.00 179.45 176.88 2diy s SER 39 N -6.56 6.66 -0.14 7.07 0.01 -1.20 -4.89 113.70 114.65 2diy s SER 39 Ca 0.01 0.91 -0.29 0.00 1.31 0.00 0.00 55.95 57.89 2diy s SER 39 Cb 0.10 -2.22 -0.04 0.00 0.21 0.00 0.00 66.02 64.06 2diy s SER 39 CO 0.75 0.01 1.68 -0.22 0.41 0.00 0.00 173.24 175.86 2diy s LEU 40 N -2.49 4.07 -0.01 2.44 2.96 -1.26 -4.66 118.68 119.72 2diy s LEU 40 Ca 0.43 1.94 -0.06 0.00 -0.22 0.00 0.00 54.13 56.21 2diy s LEU 40 Cb -0.12 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 2diy s LEU 40 CO 0.21 -1.15 0.23 -0.22 -1.32 0.00 0.00 176.35 174.10 2diy s LEU 41 N 4.86 4.38 -0.24 -0.68 2.96 -0.87 -1.08 118.68 128.00 2diy s LEU 41 Ca 0.74 0.51 -0.03 0.00 -0.22 0.00 0.00 54.13 55.13 2diy s LEU 41 Cb -0.30 -2.57 0.08 0.00 0.50 0.00 0.00 46.19 43.90 2diy s LEU 41 CO 0.30 0.28 0.09 -0.69 -1.32 0.00 0.00 176.35 175.00 2diy s VAL 42 N -1.26 0.27 -0.41 1.68 1.01 -0.26 -1.55 120.40 119.88 2diy s VAL 42 Ca 0.26 -0.67 -0.21 0.00 0.00 0.00 0.00 61.98 61.36 2diy s VAL 42 Cb -0.13 -1.02 0.02 0.00 0.00 0.00 0.00 36.38 35.25 2diy s VAL 42 CO 0.15 -0.46 0.66 -0.69 0.00 0.00 0.00 175.10 174.77 2diy s VAL 43 N 1.95 4.82 -0.19 2.92 1.01 -0.89 -1.62 120.40 128.40 2diy s VAL 43 Ca 0.04 0.32 -0.12 0.00 0.00 0.00 0.00 61.98 62.22 2diy s VAL 43 Cb -0.17 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 31.99 2diy s VAL 43 CO -0.19 -0.52 0.24 -2.28 0.00 0.00 0.00 175.10 172.34 2diy s HIS 44 N 2.86 3.41 -0.44 5.22 5.04 0.12 -1.35 115.29 130.15 2diy s HIS 44 Ca 0.24 0.46 -0.21 0.00 -1.54 0.00 0.00 55.06 54.01 2diy s HIS 44 Cb -0.14 -2.31 0.02 0.00 0.04 0.00 0.00 32.58 30.20 2diy s HIS 44 CO 0.18 0.18 0.65 -0.06 -2.34 0.00 0.00 174.74 173.36 2diy s PHE 45 N 0.67 3.06 -0.02 3.88 0.40 0.82 -0.75 117.98 126.04 2diy s PHE 45 Ca 0.13 -0.04 0.03 0.00 -0.60 0.00 0.00 56.93 56.45 2diy s PHE 45 Cb -0.13 -3.37 -0.03 0.00 0.51 0.00 0.00 43.02 40.00 2diy s PHE 45 CO 0.03 -0.88 -0.08 1.67 0.70 0.00 0.00 175.22 176.66 2diy s TRP 46 N 2.85 2.87 0.03 0.36 1.48 -1.08 -3.71 118.94 121.75 2diy s TRP 46 Ca 0.23 -0.04 0.07 0.00 -1.06 0.00 0.00 56.10 55.30 2diy s TRP 46 Cb -0.14 -1.64 -0.02 0.00 -1.16 0.00 0.00 33.47 30.51 2diy s TRP 46 CO 0.19 0.34 -0.21 0.00 -4.06 0.00 0.00 176.95 173.21 2diy s ALA 47 N -0.91 1.77 -1.27 2.67 0.00 -1.26 -3.41 121.76 119.34 2diy s ALA 47 Ca 0.15 -1.03 0.15 0.00 0.00 0.00 0.00 51.96 51.22 2diy s ALA 47 Cb -0.11 -0.37 0.69 0.00 0.00 0.00 0.00 23.12 23.34 2diy s ALA 47 CO 0.05 0.40 1.42 -0.35 0.00 0.00 0.00 175.76 177.29 2diy n PRO 48 N 1.98 0.13 -0.01 0.00 -0.04 -1.26 -3.81 135.00 131.99 2diy n PRO 48 Ca -0.17 0.19 -0.04 0.00 -0.04 0.00 0.00 63.50 63.44 2diy n PRO 48 Cb 0.53 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.36 0.00 -1.37 0.54 4.27 -1.26 -4.96 117.44 113.29 2diy n TRP 49 Ca 0.06 0.00 -0.52 0.00 -3.89 0.00 0.00 57.50 53.14 2diy n TRP 49 Cb 0.13 -0.21 -0.10 0.00 -1.36 0.00 0.00 31.31 29.77 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 -3.82 0.54 0.97 -1.67 0.00 -1.25 -4.74 120.51 110.54 2diy n ALA 50 Ca -0.06 -0.03 0.06 0.00 0.00 0.00 0.00 53.44 53.41 2diy n ALA 50 Cb 0.22 -2.32 0.37 0.00 0.00 0.00 0.00 19.45 17.72 2diy n ALA 50 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2diy n PRO 51 N 7.99 0.49 -0.06 0.00 -0.04 -1.26 -3.02 135.00 139.08 2diy n PRO 51 Ca 0.52 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.81 2diy n PRO 51 Cb 0.09 -1.40 -0.13 0.00 -0.04 0.00 0.00 33.50 32.02 2diy n PRO 51 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2diy h GLN 52 N 0.00 0.04 0.00 0.54 1.08 -1.93 -3.30 115.11 111.54 2diy h GLN 52 Ca 0.00 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 2diy h GLN 52 Cb 0.00 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 2diy h GLN 52 CO 0.00 1.03 0.60 0.00 -0.95 0.00 0.00 178.83 179.51 2diy n ALA 54 N -1.72 -0.33 -0.27 0.00 0.00 -1.24 -0.54 120.51 116.41 2diy n ALA 54 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.40 2diy n ALA 54 Cb 0.63 0.17 0.09 0.00 0.00 0.00 0.00 19.45 20.34 2diy n ALA 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2diy h GLN 55 N 0.00 0.91 -0.47 0.00 3.07 -1.67 -1.18 115.11 115.76 2diy h GLN 55 Ca 0.00 -0.05 0.14 0.00 0.09 0.00 0.00 58.65 58.82 2diy h GLN 55 Cb 0.00 -0.21 -0.02 0.00 0.08 0.00 0.00 27.48 27.34 2diy h GLN 55 CO 0.00 0.60 0.35 0.52 0.09 0.00 0.00 178.83 180.40 2diy h MET 56 N 0.94 0.00 0.26 0.06 2.86 -1.44 -0.98 114.93 116.62 2diy h MET 56 Ca 0.30 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.93 2diy h MET 56 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 2diy h MET 56 CO -0.11 0.00 -0.12 -0.97 1.06 0.00 0.00 176.91 176.77 2diy h ASN 57 N 0.00 -0.29 -1.01 1.22 -1.24 0.46 -2.88 115.58 111.84 2diy h ASN 57 Ca 0.22 0.01 0.22 0.00 0.71 0.00 0.00 56.30 57.47 2diy h ASN 57 Cb 0.93 0.08 -0.11 0.00 0.73 0.00 0.00 38.32 39.94 2diy h ASN 57 CO -0.00 -0.03 0.61 1.05 -1.29 0.00 0.00 177.43 177.77 2diy h GLU 58 N -0.72 0.62 -1.01 6.67 4.11 -1.32 0.17 114.58 123.10 2diy h GLU 58 Ca -0.04 -0.04 0.02 0.00 0.07 0.00 0.00 59.36 59.37 2diy h GLU 58 Cb 0.27 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 2diy h GLU 58 CO 0.06 0.41 0.67 0.28 0.07 0.00 0.00 179.01 180.49 2diy h VAL 59 N 0.63 1.24 0.72 -1.06 2.07 -1.26 -3.04 116.25 115.55 2diy h VAL 59 Ca 0.61 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.63 2diy h VAL 59 Cb 1.12 -0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2diy h VAL 59 CO -0.41 0.25 -0.39 0.24 0.02 0.00 0.00 177.57 177.28 2diy h MET 60 N 1.34 -0.98 -0.89 1.57 2.86 -0.43 -2.67 114.93 115.74 2diy h MET 60 Ca 0.38 0.07 0.17 0.00 -2.06 0.00 0.00 59.70 58.25 2diy h MET 60 Cb -0.12 0.22 -0.16 0.00 0.06 0.00 0.00 31.60 31.61 2diy h MET 60 CO -0.09 -0.65 -0.26 0.00 1.06 0.00 0.00 176.91 176.97 2diy n ALA 61 N -2.56 0.12 -0.35 6.32 0.00 -1.10 0.19 120.51 123.13 2diy n ALA 61 Ca -0.13 0.95 0.05 0.00 0.00 0.00 0.00 53.44 54.32 2diy n ALA 61 Cb 0.41 -0.53 0.22 0.00 0.00 0.00 0.00 19.45 19.55 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 1.04 -0.28 0.00 4.39 -1.42 -2.00 114.58 116.30 2diy h GLU 62 Ca 0.39 -0.06 -0.12 0.00 0.34 0.00 0.00 59.36 59.92 2diy h GLU 62 Cb 0.62 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2diy h GLU 62 CO -0.90 0.69 -0.27 -0.07 -1.16 0.00 0.00 179.01 177.29 2diy h LEU 63 N 1.07 0.73 -0.75 1.33 3.38 0.24 -2.49 115.31 118.82 2diy h LEU 63 Ca 0.45 -0.47 0.07 0.00 0.09 0.00 0.00 57.88 58.02 2diy h LEU 63 Cb 0.32 -0.21 -0.10 0.00 0.09 0.00 0.00 40.66 40.77 2diy h LEU 63 CO -0.21 1.05 -0.49 0.00 0.09 0.00 0.00 178.44 178.88 2diy h ALA 64 N 0.70 -0.51 -0.36 1.53 0.00 -0.04 0.47 119.26 121.05 2diy h ALA 64 Ca 0.05 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2diy h ALA 64 Cb 0.84 1.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.89 2diy h ALA 64 CO 0.07 -0.84 0.03 1.57 0.00 0.00 0.00 179.25 180.08 2diy h LYS 65 N -0.06 0.62 -0.95 0.00 2.10 -1.62 -2.82 116.57 113.84 2diy h LYS 65 Ca 0.12 -0.18 0.21 0.00 -2.00 0.00 0.00 60.65 58.80 2diy h LYS 65 Cb 0.37 -0.07 -0.08 0.00 -0.90 0.00 0.00 32.23 31.56 2diy h LYS 65 CO -0.74 0.71 0.62 1.49 -2.00 0.00 0.00 179.45 179.52 2diy h GLU 66 N 0.45 0.46 -3.45 0.07 4.81 -0.64 -3.28 114.58 113.00 2diy h GLU 66 Ca 0.11 -0.03 -0.62 0.00 -0.13 0.00 0.00 59.36 58.69 2diy h GLU 66 Cb 0.40 -0.10 -0.40 0.00 0.63 0.00 0.00 28.75 29.28 2diy h GLU 66 CO 0.01 0.31 -0.70 -0.51 -0.73 0.00 0.00 179.01 177.39 2diy s LEU 67 N -9.61 3.47 0.31 1.64 1.43 0.15 -4.95 118.68 111.11 2diy s LEU 67 Ca -0.09 -2.55 0.25 0.00 -1.03 0.00 0.00 54.13 50.72 2diy s LEU 67 Cb 0.23 -1.30 1.05 0.00 0.03 0.00 0.00 46.19 46.21 2diy s LEU 67 CO 0.79 -0.29 1.76 1.55 0.23 0.00 0.00 176.35 180.38 2diy h PRO 68 N 6.97 0.00 -0.68 1.29 0.13 -1.62 -2.59 132.00 135.50 2diy h PRO 68 Ca -0.05 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 2diy h PRO 68 Cb 0.94 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 2diy h PRO 68 CO 0.55 0.00 0.01 0.00 -0.23 0.00 0.00 178.00 178.33 2diy n GLN 69 N -2.37 4.00 -4.32 0.86 0.00 -1.26 -4.91 117.38 109.38 2diy n GLN 69 Ca 0.02 -2.44 -0.20 0.00 0.00 0.00 0.00 57.00 54.37 2diy n GLN 69 Cb 0.24 -2.10 -0.11 0.00 0.00 0.00 0.00 30.24 28.27 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 -2.37 1.72 -0.24 -0.39 1.01 -0.98 -4.14 120.40 115.02 2diy s VAL 70 Ca 0.42 -1.96 0.02 0.00 0.00 0.00 0.00 61.98 60.46 2diy s VAL 70 Cb 0.32 -1.85 0.05 0.00 0.00 0.00 0.00 36.38 34.91 2diy s VAL 70 CO 0.12 -0.41 -0.10 -0.44 0.00 0.00 0.00 175.10 174.28 2diy s SER 71 N -2.81 4.02 -0.26 3.32 0.01 -0.25 -4.98 113.70 112.76 2diy s SER 71 Ca 0.16 -1.20 -0.10 0.00 1.31 0.00 0.00 55.95 56.12 2diy s SER 71 Cb -0.04 -1.38 -0.05 0.00 0.21 0.00 0.00 66.02 64.76 2diy s SER 71 CO 0.06 -0.19 0.16 -0.36 0.41 0.00 0.00 173.24 173.32 2diy s PHE 72 N 1.25 3.24 -0.06 2.43 0.08 -1.26 -1.10 117.98 122.56 2diy s PHE 72 Ca -0.06 0.09 -0.00 0.00 0.12 0.00 0.00 56.93 57.08 2diy s PHE 72 Cb -0.19 -2.31 0.02 0.00 -0.57 0.00 0.00 43.02 39.98 2diy s PHE 72 CO -0.06 -0.08 -0.02 0.14 -0.10 0.00 0.00 175.22 175.10 2diy s VAL 73 N 1.40 0.45 -0.16 -0.44 -7.23 -0.64 -3.21 120.40 110.57 2diy s VAL 73 Ca 0.07 -0.00 -0.08 0.00 -1.81 0.00 0.00 61.98 60.16 2diy s VAL 73 Cb -0.15 -0.54 -0.04 0.00 0.56 0.00 0.00 36.38 36.21 2diy s VAL 73 CO 0.07 0.24 0.11 -1.59 -0.31 0.00 0.00 175.10 173.62 2diy s LYS 74 N 1.41 3.79 -0.07 4.82 -2.85 -0.95 -0.70 119.74 125.19 2diy s LYS 74 Ca -0.03 -0.22 0.04 0.00 -1.00 0.00 0.00 55.97 54.76 2diy s LYS 74 Cb -0.13 -3.25 -0.00 0.00 -2.06 0.00 0.00 37.83 32.38 2diy s LYS 74 CO -0.03 0.50 -0.20 -1.17 0.10 0.00 0.00 175.35 174.56 2diy s LEU 75 N -0.24 1.95 -0.54 2.77 0.20 0.07 -2.64 118.68 120.25 2diy s LEU 75 Ca 0.10 -0.43 -0.28 0.00 0.69 0.00 0.00 54.13 54.20 2diy s LEU 75 Cb -0.12 -1.15 0.03 0.00 -0.43 0.00 0.00 46.19 44.52 2diy s LEU 75 CO 0.01 0.15 1.17 -0.70 -0.29 0.00 0.00 176.35 176.69 2diy s GLU 76 N 0.19 3.60 0.32 1.98 2.12 -1.26 -2.62 118.70 123.03 2diy s GLU 76 Ca -0.10 0.37 0.08 0.00 0.36 0.00 0.00 54.97 55.69 2diy s GLU 76 Cb -0.15 -3.97 0.91 0.00 0.26 0.00 0.00 34.13 31.18 2diy s GLU 76 CO 0.05 -1.56 1.65 0.00 -0.54 0.00 0.00 175.26 174.85 2diy h ALA 77 N 9.41 1.60 0.00 6.30 0.00 -1.87 1.45 119.26 136.16 2diy h ALA 77 Ca -0.24 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2diy h ALA 77 Cb 1.06 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2diy h ALA 77 CO 1.16 -0.54 0.00 0.93 0.00 0.00 0.00 179.25 180.80 2diy h GLU 78 N 0.24 0.00 0.07 0.00 4.39 -1.90 -3.31 114.58 114.06 2diy h GLU 78 Ca 0.65 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.34 2diy h GLU 78 Cb 1.41 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.06 2diy h GLU 78 CO -0.66 0.00 -0.03 0.78 -1.16 0.00 0.00 179.01 177.94 2diy h GLY 79 N 3.95 -0.09 -7.28 -3.84 0.00 0.15 -3.41 103.07 92.55 2diy h GLY 79 Ca 0.00 0.03 -0.68 0.00 0.00 0.00 0.00 47.33 46.69 2diy h GLY 79 CO 0.00 -0.03 -0.29 0.14 0.00 0.00 0.00 176.54 176.35 2diy s VAL 80 N -2.38 3.77 0.25 4.60 1.01 0.14 -4.85 120.40 122.94 2diy s VAL 80 Ca -0.10 -3.85 0.21 0.00 0.00 0.00 0.00 61.98 58.24 2diy s VAL 80 Cb -0.01 -3.40 0.18 0.00 0.00 0.00 0.00 36.38 33.16 2diy s VAL 80 CO 0.36 -1.02 1.84 1.55 0.00 0.00 0.00 175.10 177.82 2diy h PRO 81 N 5.98 0.00 -0.17 2.72 0.13 -1.80 -3.15 132.00 135.71 2diy h PRO 81 Ca 0.12 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.30 2diy h PRO 81 Cb 0.82 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.88 2diy h PRO 81 CO 0.79 0.29 -0.28 1.49 -0.23 0.00 0.00 178.00 180.06 2diy h GLU 82 N 0.00 -0.32 -0.20 0.86 4.81 -1.91 -1.60 114.58 116.23 2diy h GLU 82 Ca -0.00 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 2diy h GLU 82 Cb 0.71 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 2diy h GLU 82 CO 0.04 -0.21 -0.09 0.28 -0.73 0.00 0.00 179.01 178.30 2diy h VAL 83 N -0.33 1.30 -0.92 0.32 2.07 -1.97 -3.12 116.25 113.60 2diy h VAL 83 Ca 0.11 -1.14 0.27 0.00 0.82 0.00 0.00 66.70 66.76 2diy h VAL 83 Cb 0.50 1.64 -0.15 0.00 -1.52 0.00 0.00 31.29 31.77 2diy h VAL 83 CO -0.36 0.34 0.33 0.28 0.02 0.00 0.00 177.57 178.18 2diy h SER 84 N 0.10 0.14 0.99 0.57 0.02 -1.42 -0.99 113.55 112.96 2diy h SER 84 Ca 0.04 0.20 -0.05 0.00 -0.84 0.00 0.00 61.79 61.15 2diy h SER 84 Cb 0.57 0.24 0.01 0.00 0.14 0.00 0.00 62.40 63.36 2diy h SER 84 CO 0.03 -0.17 -0.49 -0.33 -1.14 0.00 0.00 176.83 174.73 2diy h GLU 85 N 0.23 -1.30 -0.82 3.45 5.08 -1.24 2.03 114.58 122.01 2diy h GLU 85 Ca 0.62 0.09 0.07 0.00 -1.00 0.00 0.00 59.36 59.14 2diy h GLU 85 Cb 1.31 0.30 -0.10 0.00 0.50 0.00 0.00 28.75 30.76 2diy h GLU 85 CO -0.66 -0.87 -0.48 1.17 -1.00 0.00 0.00 179.01 177.17 2diy n LYS 86 N -5.67 -0.36 0.06 2.33 0.00 -0.41 0.11 118.16 114.22 2diy n LYS 86 Ca -0.17 1.37 0.13 0.00 0.00 0.00 0.00 58.31 59.65 2diy n LYS 86 Cb 0.53 -2.02 0.50 0.00 0.00 0.00 0.00 35.03 34.04 2diy n LYS 86 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2diy n TYR 87 N -4.88 0.52 -3.35 5.64 4.01 -1.01 -4.92 117.16 113.16 2diy n TYR 87 Ca 0.02 0.15 -0.18 0.00 -0.16 0.00 0.00 57.90 57.72 2diy n TYR 87 Cb 0.21 -0.75 0.07 0.00 -0.31 0.00 0.00 39.34 38.56 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 -1.92 -6.28 -2.64 -0.72 1.02 0.64 -4.91 120.64 105.83 2diy n GLU 88 Ca 0.06 0.67 -0.42 0.00 -0.02 0.00 0.00 57.16 57.45 2diy n GLU 88 Cb 0.38 -5.23 -0.02 0.00 -0.02 0.00 0.00 31.44 26.56 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 -3.26 4.17 -0.48 -3.67 -1.09 0.16 -4.78 121.20 112.25 2diy s ILE 89 Ca 0.40 -1.46 0.02 0.00 -2.23 0.00 0.00 60.65 57.39 2diy s ILE 89 Cb -0.18 -5.07 0.46 0.00 -1.58 0.00 0.00 42.46 36.09 2diy s ILE 89 CO 0.59 -1.91 1.64 -1.20 -1.23 0.00 0.00 174.94 172.83 2diy n SER 90 N 8.19 6.22 -3.51 3.58 7.64 -1.26 -4.88 113.62 129.59 2diy n SER 90 Ca 0.39 -3.77 -0.17 0.00 1.01 0.00 0.00 58.87 56.33 2diy n SER 90 Cb 0.48 -0.68 -0.05 0.00 -1.01 0.00 0.00 64.21 62.95 2diy n SER 90 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2diy s SER 91 N -2.64 -0.63 0.01 6.43 0.15 -1.26 -5.18 113.70 110.58 2diy s SER 91 Ca 0.58 0.61 -0.09 0.00 0.70 0.00 0.00 55.95 57.75 2diy s SER 91 Cb 0.46 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 65.31 2diy s SER 91 CO 0.01 -0.64 0.17 0.68 1.20 0.00 0.00 173.24 174.67 2diy s VAL 92 N -1.51 0.09 0.90 4.45 -7.23 -1.26 -4.22 120.40 111.61 2diy s VAL 92 Ca -0.09 -0.74 -0.12 0.00 -1.81 0.00 0.00 61.98 59.22 2diy s VAL 92 Cb -0.00 -0.61 0.13 0.00 0.56 0.00 0.00 36.38 36.46 2diy s VAL 92 CO 0.07 -0.41 1.09 -2.16 -0.31 0.00 0.00 175.10 173.38 2diy s PRO 93 N -1.76 1.24 -0.30 4.82 0.04 -1.26 -4.89 135.00 132.90 2diy s PRO 93 Ca -0.12 0.81 -0.12 0.00 0.04 0.00 0.00 61.00 61.62 2diy s PRO 93 Cb -0.05 -1.81 0.12 0.00 0.04 0.00 0.00 34.50 32.80 2diy s PRO 93 CO 0.00 -2.25 0.69 0.99 0.04 0.00 0.00 177.00 176.47 2diy s THR 94 N -2.94 -0.75 0.09 1.26 2.01 -1.24 -2.93 115.64 111.15 2diy s THR 94 Ca 0.63 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.69 2diy s THR 94 Cb -0.18 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.29 2diy s THR 94 CO 0.57 0.00 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.11 2diy s PHE 95 N 2.59 2.92 -0.22 4.92 0.40 -0.44 -0.13 117.98 128.02 2diy s PHE 95 Ca -0.07 -0.06 -0.04 0.00 -0.60 0.00 0.00 56.93 56.17 2diy s PHE 95 Cb -0.10 -1.51 0.08 0.00 0.51 0.00 0.00 43.02 42.00 2diy s PHE 95 CO -0.19 0.47 0.09 -0.51 0.70 0.00 0.00 175.22 175.77 2diy s LEU 96 N -2.28 0.85 -0.09 -0.37 1.43 -0.46 -2.61 118.68 115.15 2diy s LEU 96 Ca 0.25 -0.97 -0.29 0.00 -1.03 0.00 0.00 54.13 52.09 2diy s LEU 96 Cb -0.12 -0.44 -0.02 0.00 0.03 0.00 0.00 46.19 45.65 2diy s LEU 96 CO 0.17 -0.37 0.98 -0.36 0.23 0.00 0.00 176.35 177.01 2diy s PHE 97 N 1.99 3.54 -0.13 0.29 0.40 -1.02 -2.09 117.98 120.95 2diy s PHE 97 Ca 0.04 1.59 0.02 0.00 -0.60 0.00 0.00 56.93 57.98 2diy s PHE 97 Cb -0.16 -3.16 0.01 0.00 0.51 0.00 0.00 43.02 40.22 2diy s PHE 97 CO -0.18 -0.18 -0.19 -0.06 0.70 0.00 0.00 175.22 175.31 2diy s PHE 98 N 1.81 2.40 -0.33 0.36 0.08 -0.60 -2.79 117.98 118.91 2diy s PHE 98 Ca 0.48 -1.21 0.03 0.00 0.12 0.00 0.00 56.93 56.36 2diy s PHE 98 Cb -0.19 -1.67 0.09 0.00 -0.57 0.00 0.00 43.02 40.68 2diy s PHE 98 CO 0.19 -0.58 0.03 0.21 -0.10 0.00 0.00 175.22 174.98 2diy s LYS 99 N 0.93 1.70 -0.60 0.44 2.47 -0.28 -2.05 119.74 122.35 2diy s LYS 99 Ca -0.06 -1.75 -0.01 0.00 -1.56 0.00 0.00 55.97 52.60 2diy s LYS 99 Cb -0.15 -3.18 0.00 0.00 -1.46 0.00 0.00 37.83 33.04 2diy s LYS 99 CO -0.03 -0.87 0.09 -1.71 0.16 0.00 0.00 175.35 172.99 2diy n ASN 100 N 4.32 -2.92 -0.98 1.43 5.15 -0.09 -3.14 115.26 119.04 2diy n ASN 100 Ca -0.01 -0.05 -0.06 0.00 -0.60 0.00 0.00 54.58 53.87 2diy n ASN 100 Cb 0.42 -2.08 0.01 0.00 -0.53 0.00 0.00 39.78 37.60 2diy n ASN 100 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2diy n SER 101 N 0.44 -2.77 -3.67 1.20 2.88 -1.26 -5.01 113.62 105.43 2diy n SER 101 Ca -0.07 -0.07 -0.12 0.00 -1.33 0.00 0.00 58.87 57.28 2diy n SER 101 Cb 0.56 -1.77 -0.12 0.00 -0.75 0.00 0.00 64.21 62.12 2diy n SER 101 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2diy s GLN 102 N -4.77 0.21 0.15 -1.46 -0.21 -1.19 -5.13 119.66 107.26 2diy s GLN 102 Ca 0.07 0.80 -0.31 0.00 0.02 0.00 0.00 55.36 55.93 2diy s GLN 102 Cb -0.03 0.04 -0.10 0.00 1.00 0.00 0.00 33.01 33.92 2diy s GLN 102 CO 0.09 -0.25 1.59 0.21 -2.12 0.00 0.00 175.29 174.81 2diy s LYS 103 N 2.26 4.21 0.00 2.91 2.20 -1.26 -1.13 119.74 128.93 2diy s LYS 103 Ca -0.01 2.36 0.00 0.00 -0.36 0.00 0.00 55.97 57.96 2diy s LYS 103 Cb -0.12 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 2diy s LYS 103 CO -0.10 -0.64 0.00 0.44 -0.36 0.00 0.00 175.35 174.69 2diy n ILE 104 N 4.13 0.00 -4.05 5.43 -5.35 -1.12 -4.94 119.36 113.46 2diy n ILE 104 Ca 0.14 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.52 2diy n ILE 104 Cb 0.39 -0.09 -0.07 0.00 -1.74 0.00 0.00 39.64 38.12 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 -1.95 0.04 -0.16 7.28 -1.08 -1.25 -5.07 116.67 114.48 2diy s ASP 105 Ca 0.00 -1.06 -0.28 0.00 -0.52 0.00 0.00 52.55 50.69 2diy s ASP 105 Cb 0.00 0.46 0.09 0.00 -1.46 0.00 0.00 42.92 42.01 2diy s ASP 105 CO 0.00 -0.95 0.80 -0.60 0.52 0.00 0.00 175.17 174.94 2diy s ARG 106 N -4.04 0.83 -0.18 4.34 3.52 -1.26 -2.43 118.95 119.72 2diy s ARG 106 Ca 0.26 0.48 -0.01 0.00 -0.13 0.00 0.00 55.73 56.33 2diy s ARG 106 Cb 0.03 0.40 0.05 0.00 -1.56 0.00 0.00 34.95 33.87 2diy s ARG 106 CO 0.07 -0.20 -0.02 -1.17 -0.81 0.00 0.00 175.30 173.16 2diy s LEU 107 N -0.55 1.58 -0.28 -0.88 0.20 -1.07 -5.02 118.68 112.66 2diy s LEU 107 Ca -0.04 -0.75 -0.08 0.00 0.69 0.00 0.00 54.13 53.94 2diy s LEU 107 Cb -0.02 -0.83 -0.02 0.00 -0.43 0.00 0.00 46.19 44.89 2diy s LEU 107 CO 0.04 -0.23 0.10 1.51 -0.29 0.00 0.00 176.35 177.48 2diy s ASP 108 N 1.68 5.29 0.00 3.68 1.47 -1.26 -1.33 116.67 126.20 2diy s ASP 108 Ca -0.01 -0.40 0.00 0.00 1.18 0.00 0.00 52.55 53.33 2diy s ASP 108 Cb -0.16 -1.95 0.00 0.00 -0.34 0.00 0.00 42.92 40.47 2diy s ASP 108 CO -0.07 -0.12 0.00 0.61 0.68 0.00 0.00 175.17 176.27 2diy n GLY 109 N 4.94 3.56 3.57 2.12 0.00 -1.15 -4.95 105.19 113.28 2diy n GLY 109 Ca -0.15 -1.71 -0.37 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.16 2.64 -0.26 4.61 0.00 -1.26 -4.76 121.76 120.57 2diy s ALA 110 Ca 0.00 -2.39 -0.01 0.00 0.00 0.00 0.00 51.96 49.56 2diy s ALA 110 Cb 0.00 -4.61 0.04 0.00 0.00 0.00 0.00 23.12 18.55 2diy s ALA 110 CO 0.00 -3.96 -0.07 -1.01 0.00 0.00 0.00 175.76 170.73 2diy s HIS 111 N 6.50 3.12 0.01 0.00 3.76 -1.26 -5.01 115.29 122.40 2diy s HIS 111 Ca 0.56 -1.75 -0.25 0.00 -0.15 0.00 0.00 55.06 53.47 2diy s HIS 111 Cb 0.01 -2.04 -0.14 0.00 1.11 0.00 0.00 32.58 31.51 2diy s HIS 111 CO 0.03 -0.78 1.07 0.00 -0.85 0.00 0.00 174.74 174.21 2diy h ALA 112 N 7.97 -0.83 0.05 -1.40 0.00 -1.98 -2.86 119.26 120.21 2diy h ALA 112 Ca -0.29 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 2diy h ALA 112 Cb 1.09 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2diy h ALA 112 CO 0.55 -0.79 -0.02 -1.00 0.00 0.00 0.00 179.25 177.98 2diy h PRO 113 N -1.17 -0.06 -1.03 0.00 0.13 -2.00 -3.05 132.00 124.81 2diy h PRO 113 Ca -0.08 0.00 0.29 0.00 -0.87 0.00 0.00 66.00 65.34 2diy h PRO 113 Cb 0.66 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 31.68 2diy h PRO 113 CO 0.14 0.40 0.62 1.49 -0.23 0.00 0.00 178.00 180.42 2diy h GLU 114 N -0.56 0.40 0.54 0.86 4.57 -1.99 -0.81 114.58 117.59 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 0.50 -0.09 0.01 0.00 -0.16 0.00 0.00 28.75 29.00 2diy h GLU 114 CO 0.01 0.27 -0.26 1.25 -1.18 0.00 0.00 179.01 179.10 2diy h LEU 115 N 0.42 -0.61 -0.34 1.64 5.85 -1.49 -2.91 115.31 117.86 2diy h LEU 115 Ca 0.68 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 59.42 2diy h LEU 115 Cb 1.55 0.16 -0.08 0.00 0.37 0.00 0.00 40.66 42.65 2diy h LEU 115 CO -0.49 -0.26 -0.41 0.74 -0.34 0.00 0.00 178.44 177.68 2diy h THR 116 N -1.00 0.14 -0.63 1.05 2.02 -1.09 0.60 112.91 114.01 2diy h THR 116 Ca -0.07 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.19 2diy h THR 116 Cb 0.63 0.14 -0.11 0.00 -1.74 0.00 0.00 68.15 67.08 2diy h THR 116 CO 0.12 0.00 -0.47 0.11 0.37 0.00 0.00 175.52 175.65 2diy h LYS 117 N -0.35 -0.21 -0.28 6.66 1.57 -1.32 0.26 116.57 122.90 2diy h LYS 117 Ca 0.13 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.96 2diy h LYS 117 Cb 0.58 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.90 2diy h LYS 117 CO -0.53 -0.14 0.06 0.87 -0.57 0.00 0.00 179.45 179.14 2diy h LYS 118 N -0.21 0.16 -0.55 3.15 1.57 -1.15 0.12 116.57 119.65 2diy h LYS 118 Ca 0.17 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.03 2diy h LYS 118 Cb 0.55 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.76 2diy h LYS 118 CO -0.72 0.10 0.16 0.28 -0.57 0.00 0.00 179.45 178.70 2diy h VAL 119 N 0.16 0.75 0.11 0.50 2.07 0.84 -1.28 116.25 119.40 2diy h VAL 119 Ca 0.13 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 2diy h VAL 119 Cb 0.13 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 2diy h VAL 119 CO -0.17 0.06 -0.05 1.56 0.02 0.00 0.00 177.57 178.99 2diy h GLN 120 N 0.32 -0.14 -0.34 1.57 4.20 -0.08 0.23 115.11 120.87 2diy h GLN 120 Ca 0.28 0.01 0.05 0.00 0.06 0.00 0.00 58.65 59.05 2diy h GLN 120 Cb 0.35 0.03 -0.08 0.00 0.30 0.00 0.00 27.48 28.08 2diy h GLN 120 CO -0.32 0.19 -0.50 -0.09 -0.67 0.00 0.00 178.83 177.44 2diy h ARG 121 N -0.47 -0.40 -0.34 1.46 2.43 -0.40 -1.94 114.38 114.73 2diy h ARG 121 Ca -0.01 0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 2diy h ARG 121 Cb 0.39 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 2diy h ARG 121 CO 0.02 -0.26 -0.02 0.45 -1.51 0.00 0.00 179.97 178.65 2diy h HIS 122 N -0.41 0.66 -0.86 2.20 3.86 -1.29 -3.04 115.15 116.27 2diy h HIS 122 Ca 0.09 -0.12 0.36 0.00 -1.16 0.00 0.00 60.37 59.54 2diy h HIS 122 Cb 0.61 -0.17 -0.16 0.00 1.06 0.00 0.00 27.41 28.76 2diy h HIS 122 CO -0.65 0.73 0.46 0.00 0.86 0.00 0.00 177.93 179.34 2diy n ALA 123 N -2.39 0.88 -1.41 2.45 0.00 0.81 -4.37 120.51 116.49 2diy n ALA 123 Ca -0.02 0.88 -0.48 0.00 0.00 0.00 0.00 53.44 53.81 2diy n ALA 123 Cb 0.28 -0.88 -0.12 0.00 0.00 0.00 0.00 19.45 18.74 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 -4.95 0.83 -4.51 0.00 7.64 -1.01 -4.87 113.62 106.76 2diy n SER 124 Ca 0.33 0.33 -0.41 0.00 1.01 0.00 0.00 58.87 60.12 2diy n SER 124 Cb 1.11 -1.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.20 2diy n SER 124 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2diy s SER 125 N 7.99 6.10 0.00 6.43 1.04 -1.26 -5.04 113.70 128.96 2diy s SER 125 Ca 1.24 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 57.11 2diy s SER 125 Cb -1.21 -2.16 0.00 0.00 0.10 0.00 0.00 66.02 62.75 2diy s SER 125 CO 0.53 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 175.03 2diy n GLY 126 N 5.11 -1.17 3.56 7.32 0.00 -1.26 -4.51 105.19 114.24 2diy n GLY 126 Ca -0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 2.56 0.05 1.61 0.04 -1.26 -4.95 135.00 133.04 2diy s PRO 127 Ca 0.00 -0.23 0.05 0.00 0.04 0.00 0.00 61.00 60.86 2diy s PRO 127 Cb 0.00 -5.02 -0.04 0.00 0.04 0.00 0.00 34.50 29.49 2diy s PRO 127 CO 0.00 -3.34 -0.09 -1.54 0.04 0.00 0.00 177.00 172.07 2diy s SER 128 N 8.05 4.43 -0.01 6.66 1.04 -1.26 -5.04 113.70 127.57 2diy s SER 128 Ca 0.70 -0.27 -0.23 0.00 0.48 0.00 0.00 55.95 56.63 2diy s SER 128 Cb -0.07 -0.93 -0.21 0.00 0.10 0.00 0.00 66.02 64.91 2diy s SER 128 CO 0.01 0.24 1.15 0.28 0.98 0.00 0.00 173.24 175.89 2diy h SER 129 N 4.18 0.30 0.00 7.02 0.02 -1.99 -3.54 113.55 119.54 2diy h SER 129 Ca -0.48 -0.67 0.00 0.00 -0.84 0.00 0.00 61.79 59.80 2diy h SER 129 Cb 1.16 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.62 2diy h SER 129 CO 0.53 0.92 0.00 0.61 -1.14 0.00 0.00 176.83 177.75