#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 6.14 0.89 1.61 0.01 -1.26 -5.07 113.70 116.03 2diy s SER 2 Ca 0.00 -0.67 -0.13 0.00 1.31 0.00 0.00 55.95 56.46 2diy s SER 2 Cb 0.00 -2.19 0.13 0.00 0.21 0.00 0.00 66.02 64.17 2diy s SER 2 CO 0.00 -0.46 1.18 -0.94 0.41 0.00 0.00 173.24 173.43 2diy s SER 3 N 1.74 3.72 0.00 2.44 1.04 -1.26 -4.92 113.70 116.46 2diy s SER 3 Ca 0.09 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.30 2diy s SER 3 Cb -0.18 -1.25 0.00 0.00 0.10 0.00 0.00 66.02 64.69 2diy s SER 3 CO 0.12 -2.40 0.00 0.61 0.98 0.00 0.00 173.24 172.55 2diy n GLY 4 N -2.78 -2.24 3.61 7.32 0.00 -1.26 -5.11 105.19 104.73 2diy n GLY 4 Ca 0.08 -0.80 -0.28 0.00 0.00 0.00 0.00 46.02 45.02 2diy n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2diy s SER 5 N 0.00 3.84 -0.06 1.61 0.01 -1.26 -5.12 113.70 112.72 2diy s SER 5 Ca 0.00 -1.36 -0.21 0.00 1.31 0.00 0.00 55.95 55.69 2diy s SER 5 Cb 0.00 -0.39 -0.04 0.00 0.21 0.00 0.00 66.02 65.80 2diy s SER 5 CO 0.00 -0.43 0.61 -0.55 0.41 0.00 0.00 173.24 173.27 2diy s SER 6 N -3.70 6.90 0.03 2.44 0.15 -1.26 -5.07 113.70 113.19 2diy s SER 6 Ca 0.35 1.08 0.02 0.00 0.70 0.00 0.00 55.95 58.10 2diy s SER 6 Cb 0.09 -2.36 -0.02 0.00 -1.71 0.00 0.00 66.02 62.02 2diy s SER 6 CO 0.18 -0.02 -0.07 -0.83 1.20 0.00 0.00 173.24 173.70 2diy s GLY 7 N 0.45 0.46 -0.59 9.45 0.00 -1.26 -5.11 107.32 110.71 2diy s GLY 7 Ca 0.32 -0.63 -0.04 0.00 0.00 0.00 0.00 44.72 44.37 2diy s GLY 7 CO 0.16 -0.66 0.42 1.06 0.00 0.00 0.00 173.10 174.08 2diy s MET 8 N -1.19 2.55 0.04 2.90 1.00 -1.26 -4.86 119.30 118.47 2diy s MET 8 Ca -0.06 -2.34 -0.02 0.00 0.00 0.00 0.00 55.69 53.27 2diy s MET 8 Cb -0.08 -3.79 -0.01 0.00 0.00 0.00 0.00 34.83 30.96 2diy s MET 8 CO 0.00 -1.17 -0.04 0.00 0.00 0.00 0.00 175.02 173.81 2diy n ALA 9 N 3.84 2.60 -3.74 3.03 0.00 -1.26 -5.08 120.51 119.90 2diy n ALA 9 Ca 0.05 -0.11 -0.13 0.00 0.00 0.00 0.00 53.44 53.25 2diy n ALA 9 Cb 0.39 0.15 -0.14 0.00 0.00 0.00 0.00 19.45 19.85 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 -2.16 -0.30 0.00 0.00 0.00 -1.26 -5.10 121.76 112.94 2diy s ALA 10 Ca -0.03 0.72 0.00 0.00 0.00 0.00 0.00 51.96 52.65 2diy s ALA 10 Cb 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.65 2diy s ALA 10 CO 0.05 -0.16 0.35 0.41 0.00 0.00 0.00 175.76 176.41 2diy n GLY 11 N 4.20 -1.24 3.55 0.00 0.00 -1.26 -4.62 105.19 105.82 2diy n GLY 11 Ca -0.26 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.69 1.50 -3.75 4.61 0.00 -1.26 -4.91 120.51 116.00 2diy n ALA 12 Ca 0.00 -0.25 -0.30 0.00 0.00 0.00 0.00 53.44 52.90 2diy n ALA 12 Cb 0.00 -2.83 -0.14 0.00 0.00 0.00 0.00 19.45 16.49 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 8.34 2.15 -0.27 0.00 0.00 -1.26 -5.08 121.76 125.64 2diy s ALA 13 Ca 1.04 -2.45 -0.20 0.00 0.00 0.00 0.00 51.96 50.34 2diy s ALA 13 Cb -0.49 -1.86 0.07 0.00 0.00 0.00 0.00 23.12 20.84 2diy s ALA 13 CO 0.39 -1.96 0.69 -2.00 0.00 0.00 0.00 175.76 172.88 2diy s GLU 14 N 0.60 0.76 0.20 0.00 2.12 -1.26 -5.17 118.70 115.95 2diy s GLU 14 Ca 0.16 1.08 0.09 0.00 0.36 0.00 0.00 54.97 56.65 2diy s GLU 14 Cb -0.23 0.28 -0.04 0.00 0.26 0.00 0.00 34.13 34.40 2diy s GLU 14 CO -0.05 -0.12 -0.04 0.00 -0.54 0.00 0.00 175.26 174.51 2diy s ALA 15 N 0.95 3.09 -0.03 6.30 0.00 -1.26 -5.13 121.76 125.68 2diy s ALA 15 Ca -0.05 -1.49 -0.01 0.00 0.00 0.00 0.00 51.96 50.41 2diy s ALA 15 Cb -0.05 -0.83 0.03 0.00 0.00 0.00 0.00 23.12 22.27 2diy s ALA 15 CO -0.08 0.41 0.06 0.00 0.00 0.00 0.00 175.76 176.15 2diy s ALA 16 N -1.89 0.09 -0.15 0.00 0.00 -1.26 -5.14 121.76 113.41 2diy s ALA 16 Ca 0.28 0.31 -0.12 0.00 0.00 0.00 0.00 51.96 52.43 2diy s ALA 16 Cb -0.08 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.55 2diy s ALA 16 CO 0.18 -0.28 0.24 0.08 0.00 0.00 0.00 175.76 175.98 2diy s VAL 17 N 1.56 5.33 -0.07 0.00 1.01 -1.26 -4.97 120.40 122.00 2diy s VAL 17 Ca -0.03 0.44 -0.01 0.00 0.00 0.00 0.00 61.98 62.38 2diy s VAL 17 Cb -0.12 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 32.71 2diy s VAL 17 CO -0.03 0.45 2.12 0.00 0.00 0.00 0.00 175.10 177.64 2diy n ALA 18 N 3.20 4.42 -2.48 5.51 0.00 -1.26 -4.83 120.51 125.07 2diy n ALA 18 Ca -0.14 -0.50 -0.26 0.00 0.00 0.00 0.00 53.44 52.54 2diy n ALA 18 Cb 0.52 -1.18 -0.14 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.33 1.84 -0.12 0.00 0.00 -1.26 -4.31 121.76 117.59 2diy s ALA 19 Ca 0.12 -1.14 -0.29 0.00 0.00 0.00 0.00 51.96 50.64 2diy s ALA 19 Cb 0.08 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 2diy s ALA 19 CO -0.00 0.41 1.27 0.08 0.00 0.00 0.00 175.76 177.51 2diy s VAL 20 N -0.90 4.21 0.39 0.00 1.01 -1.26 -4.82 120.40 119.04 2diy s VAL 20 Ca 0.08 1.50 -0.25 0.00 0.00 0.00 0.00 61.98 63.31 2diy s VAL 20 Cb -0.09 -3.96 -0.09 0.00 0.00 0.00 0.00 36.38 32.24 2diy s VAL 20 CO 0.03 -0.09 1.12 -1.61 0.00 0.00 0.00 175.10 174.55 2diy s GLU 21 N 3.10 4.12 -0.39 2.72 2.02 -0.77 -4.84 118.70 124.67 2diy s GLU 21 Ca 0.56 1.71 -0.15 0.00 0.02 0.00 0.00 54.97 57.12 2diy s GLU 21 Cb -0.23 -2.65 0.01 0.00 0.10 0.00 0.00 34.13 31.35 2diy s GLU 21 CO 0.18 -0.23 0.33 -2.00 0.02 0.00 0.00 175.26 173.56 2diy s GLU 22 N -2.32 3.18 -0.30 1.61 2.12 -1.26 -0.99 118.70 120.74 2diy s GLU 22 Ca 0.57 -0.81 -0.13 0.00 0.36 0.00 0.00 54.97 54.96 2diy s GLU 22 Cb -0.28 -3.92 -0.03 0.00 0.26 0.00 0.00 34.13 30.16 2diy s GLU 22 CO 0.35 -0.68 0.26 0.08 -0.54 0.00 0.00 175.26 174.72 2diy s VAL 23 N 1.83 5.26 -0.22 3.70 1.01 0.63 -4.95 120.40 127.66 2diy s VAL 23 Ca 0.08 0.11 0.13 0.00 0.00 0.00 0.00 61.98 62.30 2diy s VAL 23 Cb -0.18 -3.65 0.45 0.00 0.00 0.00 0.00 36.38 33.00 2diy s VAL 23 CO 0.11 0.11 1.19 0.61 0.00 0.00 0.00 175.10 177.12 2diy n GLY 24 N 5.00 4.58 3.64 4.51 0.00 -1.26 -3.41 105.19 118.24 2diy n GLY 24 Ca -0.12 -1.71 -0.06 0.00 0.00 0.00 0.00 46.02 44.13 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 -3.28 -0.47 0.16 1.61 1.04 -1.26 -4.85 113.70 106.64 2diy s SER 25 Ca 0.41 0.84 -0.16 0.00 0.48 0.00 0.00 55.95 57.51 2diy s SER 25 Cb 0.38 1.00 0.08 0.00 0.10 0.00 0.00 66.02 67.58 2diy s SER 25 CO -0.04 -0.14 1.72 0.00 0.98 0.00 0.00 173.24 175.76 2diy h ALA 26 N 5.00 0.36 -0.94 5.32 0.00 -1.95 -1.93 119.26 125.13 2diy h ALA 26 Ca -0.28 0.08 0.14 0.00 0.00 0.00 0.00 54.91 54.85 2diy h ALA 26 Cb 1.19 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 19.01 2diy h ALA 26 CO 0.15 -0.36 0.56 0.78 0.00 0.00 0.00 179.25 180.37 2diy h GLY 27 N 0.15 1.55 0.98 0.00 0.00 -1.98 -0.25 103.07 103.53 2diy h GLY 27 Ca 0.17 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2diy h GLY 27 CO -0.25 0.07 0.02 -1.61 0.00 0.00 0.00 176.54 174.76 2diy h GLN 28 N 0.83 0.04 0.67 4.80 4.15 -1.77 0.78 115.11 124.61 2diy h GLN 28 Ca 0.49 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.87 2diy h GLN 28 Cb 0.58 -0.01 0.01 0.00 0.21 0.00 0.00 27.48 28.27 2diy h GLN 28 CO -0.31 0.02 -0.32 0.35 -1.93 0.00 0.00 178.83 176.64 2diy h PHE 29 N 0.04 -0.84 -0.93 3.99 3.57 -1.05 -0.51 116.94 121.21 2diy h PHE 29 Ca 0.01 -0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.67 2diy h PHE 29 Cb 0.00 0.28 -0.08 0.00 2.79 0.00 0.00 35.95 38.94 2diy h PHE 29 CO -0.08 -0.49 0.60 0.93 -2.23 0.00 0.00 178.31 177.03 2diy h GLU 30 N -1.02 0.60 0.12 1.11 5.08 -1.05 -1.34 114.58 118.08 2diy h GLU 30 Ca -0.09 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2diy h GLU 30 Cb 0.72 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2diy h GLU 30 CO 0.15 0.40 -0.06 1.49 -1.00 0.00 0.00 179.01 179.99 2diy h GLU 31 N 0.62 -0.16 -0.55 2.33 4.81 -0.63 -3.21 114.58 117.80 2diy h GLU 31 Ca 0.49 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.83 2diy h GLU 31 Cb 0.91 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.25 2diy h GLU 31 CO -0.24 0.19 0.11 1.25 -0.73 0.00 0.00 179.01 179.59 2diy h LEU 32 N -0.53 -0.01 -0.72 1.64 5.85 -0.23 -1.74 115.31 119.56 2diy h LEU 32 Ca -0.02 0.10 0.23 0.00 0.84 0.00 0.00 57.88 59.04 2diy h LEU 32 Cb 0.42 0.14 -0.13 0.00 0.37 0.00 0.00 40.66 41.46 2diy h LEU 32 CO 0.03 0.01 0.15 0.18 -0.34 0.00 0.00 178.44 178.47 2diy n LEU 33 N -5.13 0.03 0.02 2.25 4.77 -0.59 0.18 117.00 118.54 2diy n LEU 33 Ca 0.07 1.21 -0.19 0.00 -0.03 0.00 0.00 56.01 57.07 2diy n LEU 33 Cb 0.28 -0.49 -0.12 0.00 -2.33 0.00 0.00 43.42 40.76 2diy n LEU 33 CO 0.18 -1.27 0.16 0.03 -1.33 0.00 0.00 177.39 175.17 2diy h ARG 34 N 0.00 0.43 0.82 3.23 3.08 -1.45 -2.79 114.38 117.70 2diy h ARG 34 Ca 0.50 -0.52 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 2diy h ARG 34 Cb 1.15 0.16 0.01 0.00 0.08 0.00 0.00 29.97 31.37 2diy h ARG 34 CO -0.63 1.18 -0.39 -0.07 -1.07 0.00 0.00 179.97 178.98 2diy h LEU 35 N -0.08 -0.93 -3.29 3.04 4.07 0.20 -2.94 115.31 115.38 2diy h LEU 35 Ca -0.10 0.03 -0.26 0.00 0.08 0.00 0.00 57.88 57.63 2diy h LEU 35 Cb 1.47 0.24 -0.11 0.00 1.08 0.00 0.00 40.66 43.34 2diy h LEU 35 CO 0.14 -0.65 0.33 0.29 -1.08 0.00 0.00 178.44 177.47 2diy n LYS 36 N -5.01 1.63 -0.01 1.13 4.76 0.15 -4.39 118.16 116.42 2diy n LYS 36 Ca -0.14 -1.26 -0.12 0.00 -2.87 0.00 0.00 58.31 53.92 2diy n LYS 36 Cb 0.43 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 32.03 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 -0.08 -0.85 7.82 0.00 -1.30 -3.29 119.26 122.98 2diy h ALA 37 Ca 0.24 -0.30 0.20 0.00 0.00 0.00 0.00 54.91 55.04 2diy h ALA 37 Cb 1.05 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.75 2diy h ALA 37 CO 0.59 -0.18 0.35 0.87 0.00 0.00 0.00 179.25 180.88 2diy h LYS 38 N -0.80 0.38 -7.17 0.00 1.57 -1.82 -3.02 116.57 105.71 2diy h LYS 38 Ca -0.01 -0.02 -0.45 0.00 -1.87 0.00 0.00 60.65 58.30 2diy h LYS 38 Cb 0.63 -0.09 0.07 0.00 0.08 0.00 0.00 32.23 32.93 2diy h LYS 38 CO 0.01 0.25 0.15 -1.12 -0.57 0.00 0.00 179.45 178.17 2diy s SER 39 N -5.22 4.78 -0.17 0.86 0.01 -1.24 -4.91 113.70 107.81 2diy s SER 39 Ca -0.12 0.20 -0.25 0.00 1.31 0.00 0.00 55.95 57.08 2diy s SER 39 Cb 0.24 -0.84 -0.01 0.00 0.21 0.00 0.00 66.02 65.62 2diy s SER 39 CO 0.77 -1.57 0.83 -0.22 0.41 0.00 0.00 173.24 173.46 2diy s LEU 40 N -5.13 4.17 -0.10 2.44 2.96 -1.24 -4.45 118.68 117.33 2diy s LEU 40 Ca 0.61 1.16 -0.06 0.00 -0.22 0.00 0.00 54.13 55.62 2diy s LEU 40 Cb -0.09 -3.23 -0.04 0.00 0.50 0.00 0.00 46.19 43.33 2diy s LEU 40 CO 0.43 -0.40 0.15 -0.22 -1.32 0.00 0.00 176.35 174.99 2diy s LEU 41 N 2.19 4.37 -0.27 -0.68 2.96 -0.83 -0.31 118.68 126.11 2diy s LEU 41 Ca 0.38 0.44 -0.02 0.00 -0.22 0.00 0.00 54.13 54.71 2diy s LEU 41 Cb -0.16 -2.18 0.09 0.00 0.50 0.00 0.00 46.19 44.44 2diy s LEU 41 CO 0.12 0.38 0.09 -0.69 -1.32 0.00 0.00 176.35 174.93 2diy s VAL 42 N -1.09 0.53 -0.26 1.68 1.01 -0.06 -1.25 120.40 120.96 2diy s VAL 42 Ca 0.17 -0.99 -0.26 0.00 0.00 0.00 0.00 61.98 60.90 2diy s VAL 42 Cb -0.12 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.95 2diy s VAL 42 CO 0.07 -0.56 0.89 -0.69 0.00 0.00 0.00 175.10 174.82 2diy s VAL 43 N 1.81 4.75 -0.27 2.92 1.01 -0.81 -1.85 120.40 127.97 2diy s VAL 43 Ca 0.07 1.60 -0.06 0.00 0.00 0.00 0.00 61.98 63.58 2diy s VAL 43 Cb -0.17 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 32.01 2diy s VAL 43 CO -0.23 -0.18 0.06 -2.28 0.00 0.00 0.00 175.10 172.46 2diy s HIS 44 N 3.04 3.10 -0.18 5.22 5.65 0.46 -1.50 115.29 131.08 2diy s HIS 44 Ca 0.37 -0.80 -0.29 0.00 0.25 0.00 0.00 55.06 54.59 2diy s HIS 44 Cb -0.15 -2.22 -0.01 0.00 -1.18 0.00 0.00 32.58 29.02 2diy s HIS 44 CO 0.09 -0.50 1.18 -0.06 -0.65 0.00 0.00 174.74 174.80 2diy s PHE 45 N 1.53 3.04 -0.08 3.88 0.40 -0.63 -1.76 117.98 124.36 2diy s PHE 45 Ca 0.04 1.18 0.03 0.00 -0.60 0.00 0.00 56.93 57.59 2diy s PHE 45 Cb -0.16 -3.42 0.01 0.00 0.51 0.00 0.00 43.02 39.96 2diy s PHE 45 CO 0.02 -1.25 -0.18 1.67 0.70 0.00 0.00 175.22 176.17 2diy s TRP 46 N 3.27 2.02 -0.02 0.36 1.48 -0.64 -3.50 118.94 121.90 2diy s TRP 46 Ca 0.51 -0.80 0.07 0.00 -1.06 0.00 0.00 56.10 54.83 2diy s TRP 46 Cb -0.20 -1.40 -0.02 0.00 -1.16 0.00 0.00 33.47 30.70 2diy s TRP 46 CO 0.13 -0.35 -0.24 0.00 -4.06 0.00 0.00 176.95 172.42 2diy s ALA 47 N 0.51 2.03 -1.99 2.67 0.00 -1.26 -3.47 121.76 120.25 2diy s ALA 47 Ca -0.17 -1.05 0.16 0.00 0.00 0.00 0.00 51.96 50.90 2diy s ALA 47 Cb -0.17 -0.53 0.93 0.00 0.00 0.00 0.00 23.12 23.35 2diy s ALA 47 CO 0.06 0.49 1.34 -0.35 0.00 0.00 0.00 175.76 177.30 2diy n PRO 48 N 2.54 0.48 -0.03 0.00 -0.04 -1.26 -1.78 135.00 134.92 2diy n PRO 48 Ca -0.16 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.32 2diy n PRO 48 Cb 0.52 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.51 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 0.07 -4.02 0.54 4.27 -1.26 -4.95 117.44 111.09 2diy n TRP 49 Ca 0.12 -0.29 -0.33 0.00 -3.89 0.00 0.00 57.50 53.10 2diy n TRP 49 Cb 0.05 -0.03 -0.15 0.00 -1.36 0.00 0.00 31.31 29.83 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 -0.68 2.61 -1.38 -1.67 0.00 -0.73 -4.97 121.76 114.93 2diy s ALA 50 Ca 0.05 -1.56 0.15 0.00 0.00 0.00 0.00 51.96 50.60 2diy s ALA 50 Cb 0.03 -1.60 0.73 0.00 0.00 0.00 0.00 23.12 22.28 2diy s ALA 50 CO 0.04 -0.92 1.41 -0.35 0.00 0.00 0.00 175.76 175.94 2diy n PRO 51 N 4.58 0.19 -0.04 0.00 -0.04 -1.26 -2.95 135.00 135.47 2diy n PRO 51 Ca -0.16 0.16 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 2diy n PRO 51 Cb 0.45 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.33 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 0.45 -1.60 0.54 7.50 -1.93 -3.17 115.11 116.90 2diy h GLN 52 Ca 0.00 -0.34 0.46 0.00 0.50 0.00 0.00 58.65 59.27 2diy h GLN 52 Cb 0.15 0.06 -0.06 0.00 0.05 0.00 0.00 27.48 27.68 2diy h GLN 52 CO 0.00 0.97 1.27 0.00 -1.50 0.00 0.00 178.83 179.57 2diy h ALA 54 N 0.80 -0.97 -0.59 0.00 0.00 -1.78 0.50 119.26 117.22 2diy h ALA 54 Ca 0.76 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.64 2diy h ALA 54 Cb 3.30 0.24 -0.12 0.00 0.00 0.00 0.00 17.79 21.21 2diy h ALA 54 CO -0.01 -0.92 -0.27 1.96 0.00 0.00 0.00 179.25 180.01 2diy h GLN 55 N -0.74 -0.11 -0.29 0.00 1.08 -0.86 -0.67 115.11 113.52 2diy h GLN 55 Ca -0.06 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 2diy h GLN 55 Cb 0.48 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 2diy h GLN 55 CO 0.10 -0.08 0.10 0.52 -0.95 0.00 0.00 178.83 178.53 2diy h MET 56 N -0.12 0.44 -0.60 1.46 2.86 -1.55 -2.69 114.93 114.73 2diy h MET 56 Ca 0.26 -0.09 0.06 0.00 -2.06 0.00 0.00 59.70 57.87 2diy h MET 56 Cb 0.53 -0.07 -0.09 0.00 0.06 0.00 0.00 31.60 32.03 2diy h MET 56 CO -0.66 0.48 -0.54 -0.97 1.06 0.00 0.00 176.91 176.27 2diy h ASN 57 N 0.31 -1.89 -0.05 1.22 -1.24 0.15 0.26 115.58 114.34 2diy h ASN 57 Ca 0.09 0.26 0.03 0.00 0.71 0.00 0.00 56.30 57.40 2diy h ASN 57 Cb 0.22 0.80 -0.04 0.00 0.73 0.00 0.00 38.32 40.02 2diy h ASN 57 CO -0.01 -0.32 -0.17 -0.33 -1.29 0.00 0.00 177.43 175.31 2diy h GLU 58 N -0.24 -0.25 -0.78 6.67 4.39 -1.35 -2.01 114.58 121.01 2diy h GLU 58 Ca 0.10 0.02 0.17 0.00 0.34 0.00 0.00 59.36 59.98 2diy h GLU 58 Cb 0.50 0.06 -0.11 0.00 -0.10 0.00 0.00 28.75 29.10 2diy h GLU 58 CO -0.69 -0.17 0.27 0.28 -1.16 0.00 0.00 179.01 177.55 2diy h VAL 59 N -0.26 0.55 0.85 3.13 2.07 -0.89 -2.27 116.25 119.43 2diy h VAL 59 Ca 0.07 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 2diy h VAL 59 Cb 0.36 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2diy h VAL 59 CO -0.20 0.07 -0.46 0.24 0.02 0.00 0.00 177.57 177.24 2diy h MET 60 N 0.36 -1.15 -1.00 1.57 2.86 0.15 -2.51 114.93 115.21 2diy h MET 60 Ca 0.45 0.08 0.15 0.00 -2.06 0.00 0.00 59.70 58.32 2diy h MET 60 Cb 0.76 0.26 -0.16 0.00 0.06 0.00 0.00 31.60 32.52 2diy h MET 60 CO -0.48 -0.77 -0.41 0.00 1.06 0.00 0.00 176.91 176.32 2diy n ALA 61 N -2.66 -0.17 -0.16 6.32 0.00 -0.82 0.17 120.51 123.19 2diy n ALA 61 Ca -0.15 0.98 0.14 0.00 0.00 0.00 0.00 53.44 54.42 2diy n ALA 61 Cb 0.48 -0.42 0.49 0.00 0.00 0.00 0.00 19.45 20.01 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 0.43 -0.01 0.00 5.08 -1.35 -2.13 114.58 116.61 2diy h GLU 62 Ca 0.33 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.64 2diy h GLU 62 Cb 0.58 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2diy h GLU 62 CO -0.99 0.28 -0.09 -0.07 -1.00 0.00 0.00 179.01 177.15 2diy h LEU 63 N 0.44 0.09 -0.95 1.33 3.38 0.22 -2.78 115.31 117.04 2diy h LEU 63 Ca 0.36 -0.73 0.15 0.00 0.09 0.00 0.00 57.88 57.75 2diy h LEU 63 Cb 0.78 -0.03 -0.15 0.00 0.09 0.00 0.00 40.66 41.35 2diy h LEU 63 CO -0.12 0.81 -0.38 0.00 0.09 0.00 0.00 178.44 178.84 2diy n ALA 64 N -2.49 -0.13 0.13 1.53 0.00 0.85 -0.26 120.51 120.14 2diy n ALA 64 Ca -0.09 0.94 -0.13 0.00 0.00 0.00 0.00 53.44 54.16 2diy n ALA 64 Cb 0.40 -0.42 -0.08 0.00 0.00 0.00 0.00 19.45 19.36 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 -0.32 -0.85 0.00 2.10 -1.63 -3.20 116.57 112.67 2diy h LYS 65 Ca 0.33 0.02 0.18 0.00 -2.00 0.00 0.00 60.65 59.18 2diy h LYS 65 Cb 0.56 0.07 -0.16 0.00 -0.90 0.00 0.00 32.23 31.81 2diy h LYS 65 CO -0.94 0.00 -0.14 1.49 -2.00 0.00 0.00 179.45 177.86 2diy h GLU 66 N -0.69 0.02 -3.81 0.07 4.57 -0.77 -3.17 114.58 110.80 2diy h GLU 66 Ca -0.03 -0.00 -0.71 0.00 -1.18 0.00 0.00 59.36 57.44 2diy h GLU 66 Cb 0.48 -0.00 -0.34 0.00 -0.16 0.00 0.00 28.75 28.72 2diy h GLU 66 CO 0.06 0.01 -0.35 -0.51 -1.18 0.00 0.00 179.01 177.04 2diy s LEU 67 N -11.02 5.42 0.31 1.64 1.43 0.64 -4.91 118.68 112.18 2diy s LEU 67 Ca -0.14 -2.63 0.25 0.00 -1.03 0.00 0.00 54.13 50.58 2diy s LEU 67 Cb 0.24 -1.90 1.05 0.00 0.03 0.00 0.00 46.19 45.62 2diy s LEU 67 CO 0.76 -0.44 1.76 1.55 0.23 0.00 0.00 176.35 180.21 2diy h PRO 68 N 7.37 0.00 -0.68 1.29 0.13 -1.62 -2.57 132.00 135.92 2diy h PRO 68 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2diy h PRO 68 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2diy h PRO 68 CO 0.73 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.50 2diy n GLN 69 N -2.37 3.40 -4.33 0.86 0.00 -1.26 -4.89 117.38 108.78 2diy n GLN 69 Ca 0.02 -2.07 -0.21 0.00 0.00 0.00 0.00 57.00 54.73 2diy n GLN 69 Cb 0.24 -1.92 -0.11 0.00 0.00 0.00 0.00 30.24 28.45 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 -2.05 1.81 -0.18 -0.39 1.01 -0.97 -3.73 120.40 115.91 2diy s VAL 70 Ca 0.36 -1.96 0.01 0.00 0.00 0.00 0.00 61.98 60.39 2diy s VAL 70 Cb 0.26 -1.87 0.03 0.00 0.00 0.00 0.00 36.38 34.80 2diy s VAL 70 CO 0.13 -0.35 -0.15 -0.55 0.00 0.00 0.00 175.10 174.18 2diy s SER 71 N -2.76 3.10 -0.32 3.32 0.15 0.58 -4.95 113.70 112.83 2diy s SER 71 Ca 0.17 -0.69 -0.08 0.00 0.70 0.00 0.00 55.95 56.04 2diy s SER 71 Cb -0.05 -1.30 0.01 0.00 -1.71 0.00 0.00 66.02 62.97 2diy s SER 71 CO 0.07 -0.07 0.13 -0.36 1.20 0.00 0.00 173.24 174.20 2diy s PHE 72 N 1.39 3.18 -0.08 3.44 0.08 -1.26 -0.88 117.98 123.84 2diy s PHE 72 Ca 0.03 -0.86 0.04 0.00 0.12 0.00 0.00 56.93 56.25 2diy s PHE 72 Cb -0.14 -2.32 0.00 0.00 -0.57 0.00 0.00 43.02 39.99 2diy s PHE 72 CO -0.10 -0.55 -0.20 0.14 -0.10 0.00 0.00 175.22 174.40 2diy s VAL 73 N 1.54 1.73 -0.12 -0.44 -7.23 -0.77 -1.84 120.40 113.27 2diy s VAL 73 Ca 0.03 -0.84 -0.02 0.00 -1.81 0.00 0.00 61.98 59.34 2diy s VAL 73 Cb -0.18 -1.51 -0.03 0.00 0.56 0.00 0.00 36.38 35.22 2diy s VAL 73 CO 0.05 0.49 -0.04 -1.59 -0.31 0.00 0.00 175.10 173.69 2diy s LYS 74 N 0.38 3.33 0.05 4.82 -2.85 -0.16 -0.41 119.74 124.91 2diy s LYS 74 Ca -0.16 -0.52 0.08 0.00 -1.00 0.00 0.00 55.97 54.38 2diy s LYS 74 Cb -0.17 -2.80 -0.03 0.00 -2.06 0.00 0.00 37.83 32.77 2diy s LYS 74 CO 0.07 0.41 -0.23 -1.17 0.10 0.00 0.00 175.35 174.53 2diy s LEU 75 N -0.11 2.19 -0.48 2.77 0.20 -0.72 -0.27 118.68 122.25 2diy s LEU 75 Ca 0.02 -0.57 -0.23 0.00 0.69 0.00 0.00 54.13 54.05 2diy s LEU 75 Cb -0.13 -1.08 0.03 0.00 -0.43 0.00 0.00 46.19 44.58 2diy s LEU 75 CO 0.03 0.19 0.79 -0.70 -0.29 0.00 0.00 176.35 176.37 2diy s GLU 76 N -1.30 3.35 0.18 1.98 -6.30 -1.22 -1.62 118.70 113.76 2diy s GLU 76 Ca 0.09 -0.24 -0.24 0.00 -2.50 0.00 0.00 54.97 52.08 2diy s GLU 76 Cb -0.09 -3.98 0.07 0.00 0.00 0.00 0.00 34.13 30.13 2diy s GLU 76 CO 0.02 -1.21 1.57 0.00 0.02 0.00 0.00 175.26 175.67 2diy h ALA 77 N 9.05 -0.22 0.00 6.30 0.00 -1.85 0.56 119.26 133.10 2diy h ALA 77 Ca -0.25 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2diy h ALA 77 Cb 1.08 0.93 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 2diy h ALA 77 CO 0.99 -0.78 -0.24 0.93 0.00 0.00 0.00 179.25 180.15 2diy h GLU 78 N -0.19 0.00 -0.28 0.00 5.08 -1.92 -2.90 114.58 114.38 2diy h GLU 78 Ca 0.21 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.41 2diy h GLU 78 Cb 0.56 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2diy h GLU 78 CO -0.72 0.24 -0.45 0.78 -1.00 0.00 0.00 179.01 177.86 2diy h GLY 79 N 1.08 0.87 -6.78 -3.84 0.00 -0.47 -3.39 103.07 90.55 2diy h GLY 79 Ca -0.00 -0.98 -0.61 0.00 0.00 0.00 0.00 47.33 45.74 2diy h GLY 79 CO 0.03 0.88 -0.77 0.14 0.00 0.00 0.00 176.54 176.82 2diy s VAL 80 N -4.17 1.47 -0.35 4.60 1.01 0.10 -4.87 120.40 118.19 2diy s VAL 80 Ca -0.11 -3.14 0.26 0.00 0.00 0.00 0.00 61.98 58.98 2diy s VAL 80 Cb 0.09 -2.00 0.28 0.00 0.00 0.00 0.00 36.38 34.75 2diy s VAL 80 CO 0.86 -1.06 1.77 1.55 0.00 0.00 0.00 175.10 178.23 2diy h PRO 81 N 5.89 0.00 0.08 2.72 0.13 -1.73 -3.17 132.00 135.92 2diy h PRO 81 Ca 0.15 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2diy h PRO 81 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2diy h PRO 81 CO 0.51 0.00 -0.04 1.49 -0.23 0.00 0.00 178.00 179.73 2diy h GLU 82 N 0.00 -0.11 -0.19 0.86 4.57 -1.92 0.10 114.58 117.90 2diy h GLU 82 Ca 0.00 0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.12 2diy h GLU 82 Cb 0.38 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.00 2diy h GLU 82 CO 0.00 -0.06 -0.16 0.28 -1.18 0.00 0.00 179.01 177.89 2diy h VAL 83 N -0.12 1.33 -0.93 0.32 2.07 -1.94 -2.93 116.25 114.05 2diy h VAL 83 Ca -0.01 -1.29 0.09 0.00 0.82 0.00 0.00 66.70 66.31 2diy h VAL 83 Cb 0.09 1.76 -0.07 0.00 -1.52 0.00 0.00 31.29 31.55 2diy h VAL 83 CO 0.02 0.39 0.57 0.28 0.02 0.00 0.00 177.57 178.85 2diy h SER 84 N 0.11 0.87 0.92 0.57 0.02 -1.56 -2.44 113.55 112.04 2diy h SER 84 Ca 0.03 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.97 2diy h SER 84 Cb 0.68 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 63.09 2diy h SER 84 CO 0.04 0.51 -0.44 -0.08 -1.14 0.00 0.00 176.83 175.71 2diy h GLU 85 N 0.97 -1.20 -0.60 3.45 4.57 -0.93 1.96 114.58 122.81 2diy h GLU 85 Ca 0.43 0.08 0.07 0.00 -1.18 0.00 0.00 59.36 58.76 2diy h GLU 85 Cb 0.32 0.27 -0.10 0.00 -0.16 0.00 0.00 28.75 29.09 2diy h GLU 85 CO -0.22 -0.80 -0.53 -0.22 -1.18 0.00 0.00 179.01 176.06 2diy h LYS 86 N -1.27 -0.25 0.00 1.92 3.11 -1.31 0.41 116.57 119.19 2diy h LYS 86 Ca -0.13 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.73 2diy h LYS 86 Cb 0.95 0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.24 2diy h LYS 86 CO 0.21 -0.17 0.00 0.66 -2.81 0.00 0.00 179.45 177.34 2diy n TYR 87 N -5.36 0.86 -3.04 1.91 4.01 -0.94 -4.91 117.16 109.70 2diy n TYR 87 Ca -0.01 0.28 -0.18 0.00 -0.16 0.00 0.00 57.90 57.83 2diy n TYR 87 Cb 0.33 -0.95 0.04 0.00 -0.31 0.00 0.00 39.34 38.45 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 -2.23 -4.69 -2.05 -0.72 1.02 0.62 -4.89 120.64 107.70 2diy n GLU 88 Ca 0.04 0.68 -0.32 0.00 -0.02 0.00 0.00 57.16 57.54 2diy n GLU 88 Cb 0.36 -5.12 -0.04 0.00 -0.02 0.00 0.00 31.44 26.62 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 -3.11 3.40 -0.45 -3.67 -1.09 0.12 -4.80 121.20 111.61 2diy s ILE 89 Ca 0.32 -0.09 0.04 0.00 -2.23 0.00 0.00 60.65 58.68 2diy s ILE 89 Cb -0.14 -3.98 0.44 0.00 -1.58 0.00 0.00 42.46 37.20 2diy s ILE 89 CO 0.39 -0.93 1.41 -1.20 -1.23 0.00 0.00 174.94 173.38 2diy n SER 90 N 13.36 5.66 -3.55 3.58 7.64 -1.26 -4.88 113.62 134.16 2diy n SER 90 Ca 0.30 -3.76 -0.01 0.00 1.01 0.00 0.00 58.87 56.41 2diy n SER 90 Cb 0.49 -0.56 -0.05 0.00 -1.01 0.00 0.00 64.21 63.08 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 -3.01 -0.72 0.14 6.43 1.04 -1.26 -5.18 113.70 111.14 2diy s SER 91 Ca 0.53 1.04 0.07 0.00 0.48 0.00 0.00 55.95 58.08 2diy s SER 91 Cb 0.43 1.62 -0.04 0.00 0.10 0.00 0.00 66.02 68.13 2diy s SER 91 CO -0.06 -0.15 -0.17 0.68 0.98 0.00 0.00 173.24 174.52 2diy s VAL 92 N 2.11 1.58 0.90 5.02 -7.23 -1.26 -4.10 120.40 117.42 2diy s VAL 92 Ca -0.06 -1.77 -0.12 0.00 -1.81 0.00 0.00 61.98 58.23 2diy s VAL 92 Cb -0.06 -1.65 0.13 0.00 0.56 0.00 0.00 36.38 35.35 2diy s VAL 92 CO -0.17 -0.32 1.09 -2.16 -0.31 0.00 0.00 175.10 173.23 2diy s PRO 93 N -2.60 1.26 0.11 4.82 0.04 -1.26 -4.87 135.00 132.50 2diy s PRO 93 Ca 0.11 0.82 0.04 0.00 0.04 0.00 0.00 61.00 62.02 2diy s PRO 93 Cb -0.06 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 2diy s PRO 93 CO 0.05 -2.24 -0.11 0.99 0.04 0.00 0.00 177.00 175.72 2diy s THR 94 N -2.93 1.08 -0.17 1.26 2.01 -1.23 -3.42 115.64 112.23 2diy s THR 94 Ca 0.63 -1.74 -0.05 0.00 0.31 0.00 0.00 61.69 60.84 2diy s THR 94 Cb -0.18 -1.50 0.07 0.00 0.01 0.00 0.00 72.50 70.90 2diy s THR 94 CO 0.57 -0.56 0.12 -0.36 -0.69 0.00 0.00 174.62 173.69 2diy s PHE 95 N -2.55 0.09 -0.35 4.92 0.08 -0.91 -1.61 117.98 117.66 2diy s PHE 95 Ca 0.08 -0.19 -0.01 0.00 0.12 0.00 0.00 56.93 56.93 2diy s PHE 95 Cb -0.02 -0.62 0.08 0.00 -0.57 0.00 0.00 43.02 41.89 2diy s PHE 95 CO 0.01 -0.52 0.09 -0.51 -0.10 0.00 0.00 175.22 174.19 2diy s LEU 96 N 2.18 4.58 -0.42 -0.37 1.43 -0.56 -0.85 118.68 124.66 2diy s LEU 96 Ca 0.03 -1.71 -0.27 0.00 -1.03 0.00 0.00 54.13 51.15 2diy s LEU 96 Cb -0.16 -1.75 0.02 0.00 0.03 0.00 0.00 46.19 44.33 2diy s LEU 96 CO -0.10 -0.40 1.02 -0.36 0.23 0.00 0.00 176.35 176.75 2diy s PHE 97 N 1.16 2.96 -0.21 0.29 0.40 -0.72 -1.92 117.98 119.93 2diy s PHE 97 Ca 0.03 0.73 -0.05 0.00 -0.60 0.00 0.00 56.93 57.03 2diy s PHE 97 Cb -0.21 -4.01 -0.02 0.00 0.51 0.00 0.00 43.02 39.29 2diy s PHE 97 CO -0.03 -1.04 0.00 -0.06 0.70 0.00 0.00 175.22 174.79 2diy s PHE 98 N 3.92 3.03 -0.58 0.36 0.08 -0.38 -1.76 117.98 122.65 2diy s PHE 98 Ca 0.43 -0.52 -0.06 0.00 0.12 0.00 0.00 56.93 56.89 2diy s PHE 98 Cb -0.10 -2.11 0.15 0.00 -0.57 0.00 0.00 43.02 40.39 2diy s PHE 98 CO 0.25 -0.30 0.42 0.21 -0.10 0.00 0.00 175.22 175.69 2diy s LYS 99 N 1.17 2.59 -0.39 0.44 2.47 0.01 -1.96 119.74 124.06 2diy s LYS 99 Ca 0.03 -2.22 -0.03 0.00 -1.56 0.00 0.00 55.97 52.19 2diy s LYS 99 Cb -0.14 -3.85 0.00 0.00 -1.46 0.00 0.00 37.83 32.38 2diy s LYS 99 CO 0.01 -1.18 0.34 -1.71 0.16 0.00 0.00 175.35 172.98 2diy n ASN 100 N 4.08 -3.23 -0.90 1.43 2.85 -1.14 -3.29 115.26 115.05 2diy n ASN 100 Ca 0.03 -0.16 -0.08 0.00 -0.11 0.00 0.00 54.58 54.26 2diy n ASN 100 Cb 0.40 -1.81 -0.01 0.00 1.24 0.00 0.00 39.78 39.60 2diy n ASN 100 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 2diy n SER 101 N 0.13 -3.14 -3.57 1.20 2.88 -1.25 -4.97 113.62 104.90 2diy n SER 101 Ca 0.00 0.03 -0.22 0.00 -1.33 0.00 0.00 58.87 57.35 2diy n SER 101 Cb 0.52 -2.27 -0.15 0.00 -0.75 0.00 0.00 64.21 61.56 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 -4.13 0.11 0.16 -1.46 -0.21 -1.21 -5.09 119.66 107.83 2diy s GLN 102 Ca 0.00 0.10 -0.32 0.00 0.02 0.00 0.00 55.36 55.16 2diy s GLN 102 Cb 0.00 -1.41 -0.12 0.00 1.00 0.00 0.00 33.01 32.48 2diy s GLN 102 CO 0.00 -0.62 1.76 1.17 -2.12 0.00 0.00 175.29 175.48 2diy n LYS 103 N 5.30 2.72 -0.00 2.91 4.81 -1.26 -0.81 118.16 131.82 2diy n LYS 103 Ca -0.06 0.99 -0.00 0.00 -0.87 0.00 0.00 58.31 58.36 2diy n LYS 103 Cb 0.49 -2.85 -0.00 0.00 0.02 0.00 0.00 35.03 32.69 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 4.26 0.04 -4.26 3.15 -5.35 -0.72 -4.90 119.36 111.57 2diy n ILE 104 Ca 0.17 -0.02 -0.14 0.00 -0.27 0.00 0.00 62.75 62.49 2diy n ILE 104 Cb 0.35 -0.63 -0.10 0.00 -1.74 0.00 0.00 39.64 37.52 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 -3.84 0.71 -0.17 7.28 2.15 -1.22 -5.06 116.67 116.52 2diy s ASP 105 Ca -0.01 -1.40 -0.28 0.00 0.43 0.00 0.00 52.55 51.30 2diy s ASP 105 Cb 0.00 0.28 0.08 0.00 -0.30 0.00 0.00 42.92 42.99 2diy s ASP 105 CO 0.02 -0.79 0.78 -0.60 -0.17 0.00 0.00 175.17 174.41 2diy s ARG 106 N -4.08 0.85 -0.19 4.34 3.52 -1.26 -1.76 118.95 120.36 2diy s ARG 106 Ca 0.38 0.56 0.00 0.00 -0.13 0.00 0.00 55.73 56.55 2diy s ARG 106 Cb 0.07 0.41 0.05 0.00 -1.56 0.00 0.00 34.95 33.92 2diy s ARG 106 CO 0.13 -0.19 -0.07 -1.17 -0.81 0.00 0.00 175.30 173.19 2diy s LEU 107 N -0.42 2.07 -0.23 -0.88 0.20 -0.03 -5.01 118.68 114.37 2diy s LEU 107 Ca -0.04 -0.87 -0.12 0.00 0.69 0.00 0.00 54.13 53.79 2diy s LEU 107 Cb -0.03 -1.09 -0.05 0.00 -0.43 0.00 0.00 46.19 44.60 2diy s LEU 107 CO 0.04 -0.18 0.23 -0.62 -0.29 0.00 0.00 176.35 175.52 2diy s ASP 108 N 1.50 6.20 0.00 3.68 -1.08 -1.26 -2.14 116.67 123.56 2diy s ASP 108 Ca -0.02 0.21 0.00 0.00 -0.52 0.00 0.00 52.55 52.23 2diy s ASP 108 Cb -0.16 -2.14 0.00 0.00 -1.46 0.00 0.00 42.92 39.15 2diy s ASP 108 CO -0.08 0.01 0.00 0.61 0.52 0.00 0.00 175.17 176.24 2diy n GLY 109 N 4.26 2.81 3.54 2.66 0.00 -1.22 -4.89 105.19 112.35 2diy n GLY 109 Ca -0.13 -1.84 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 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 -2.47 3.39 -0.26 4.61 0.00 -1.26 -4.81 121.76 120.96 2diy s ALA 110 Ca 0.00 -2.91 -0.06 0.00 0.00 0.00 0.00 51.96 48.99 2diy s ALA 110 Cb 0.00 -4.45 -0.01 0.00 0.00 0.00 0.00 23.12 18.66 2diy s ALA 110 CO 0.00 -3.20 0.05 -1.01 0.00 0.00 0.00 175.76 171.60 2diy s HIS 111 N 3.58 3.08 -0.00 0.00 3.76 -1.26 -5.01 115.29 119.44 2diy s HIS 111 Ca 0.48 -0.76 -0.24 0.00 -0.15 0.00 0.00 55.06 54.40 2diy s HIS 111 Cb 0.01 -2.21 -0.14 0.00 1.11 0.00 0.00 32.58 31.35 2diy s HIS 111 CO 0.02 -0.49 1.03 0.00 -0.85 0.00 0.00 174.74 174.46 2diy h ALA 112 N 8.21 -0.72 -0.02 -1.40 0.00 -1.95 -2.63 119.26 120.74 2diy h ALA 112 Ca -0.36 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 2diy h ALA 112 Cb 1.15 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 2diy h ALA 112 CO 0.59 -0.72 -0.02 -1.00 0.00 0.00 0.00 179.25 178.10 2diy h PRO 113 N -1.10 0.06 -0.88 0.00 0.13 -2.01 -3.19 132.00 125.01 2diy h PRO 113 Ca -0.07 -0.03 0.18 0.00 -0.87 0.00 0.00 66.00 65.20 2diy h PRO 113 Cb 0.61 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.64 2diy h PRO 113 CO 0.12 0.53 0.44 1.49 -0.23 0.00 0.00 178.00 180.35 2diy h GLU 114 N -0.41 0.55 0.52 0.86 4.81 -1.99 -1.83 114.58 117.09 2diy h GLU 114 Ca 0.00 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 2diy h GLU 114 Cb 0.52 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 2diy h GLU 114 CO 0.01 0.36 -0.45 1.25 -0.73 0.00 0.00 179.01 179.45 2diy h LEU 115 N 0.56 -1.19 -0.69 1.64 5.85 -1.48 -2.35 115.31 117.66 2diy h LEU 115 Ca 0.51 0.09 0.15 0.00 0.84 0.00 0.00 57.88 59.47 2diy h LEU 115 Cb 0.83 0.38 -0.11 0.00 0.37 0.00 0.00 40.66 42.13 2diy h LEU 115 CO -0.42 -0.62 0.05 0.74 -0.34 0.00 0.00 178.44 177.85 2diy h THR 116 N -0.95 0.45 -0.37 1.05 2.02 -1.40 0.14 112.91 113.84 2diy h THR 116 Ca -0.07 -0.05 0.08 0.00 0.77 0.00 0.00 66.41 67.14 2diy h THR 116 Cb 0.80 0.28 -0.09 0.00 -1.74 0.00 0.00 68.15 67.41 2diy h THR 116 CO -0.01 0.03 -0.28 0.11 0.37 0.00 0.00 175.52 175.74 2diy h LYS 117 N 0.15 -0.21 -0.30 6.66 1.57 -1.07 0.22 116.57 123.58 2diy h LYS 117 Ca 0.38 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 59.13 2diy h LYS 117 Cb 0.64 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 2diy h LYS 117 CO -0.57 -0.14 0.04 0.87 -0.57 0.00 0.00 179.45 179.09 2diy h LYS 118 N -0.22 0.50 0.27 3.15 1.57 -0.68 -1.13 116.57 120.04 2diy h LYS 118 Ca 0.18 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2diy h LYS 118 Cb 0.50 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.72 2diy h LYS 118 CO -0.50 0.60 -0.49 0.28 -0.57 0.00 0.00 179.45 178.78 2diy h VAL 119 N 0.32 0.06 0.08 0.50 2.07 0.05 -1.27 116.25 118.06 2diy h VAL 119 Ca 0.09 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.62 2diy h VAL 119 Cb 0.35 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 2diy h VAL 119 CO 0.01 0.00 -0.12 1.56 0.02 0.00 0.00 177.57 179.04 2diy h GLN 120 N -0.83 -0.23 -0.61 1.57 4.20 -0.63 0.26 115.11 118.85 2diy h GLN 120 Ca -0.02 0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.78 2diy h GLN 120 Cb 0.78 0.05 -0.10 0.00 0.30 0.00 0.00 27.48 28.52 2diy h GLN 120 CO -0.19 -0.15 -0.54 -0.09 -0.67 0.00 0.00 178.83 177.19 2diy h ARG 121 N -0.24 -0.24 0.25 1.46 2.43 -1.00 -1.88 114.38 115.16 2diy h ARG 121 Ca 0.02 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2diy h ARG 121 Cb 0.25 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2diy h ARG 121 CO -0.06 -0.16 -0.12 0.45 -1.51 0.00 0.00 179.97 178.57 2diy h HIS 122 N -0.25 -0.31 -0.71 2.20 3.86 -1.10 -3.03 115.15 115.81 2diy h HIS 122 Ca 0.12 -0.01 0.28 0.00 -1.16 0.00 0.00 60.37 59.61 2diy h HIS 122 Cb 0.54 0.10 -0.13 0.00 1.06 0.00 0.00 27.41 28.99 2diy h HIS 122 CO -0.81 -0.02 0.32 0.00 0.86 0.00 0.00 177.93 178.28 2diy n ALA 123 N -2.37 0.67 -1.05 2.45 0.00 0.90 -4.55 120.51 116.56 2diy n ALA 123 Ca -0.09 0.73 -0.37 0.00 0.00 0.00 0.00 53.44 53.71 2diy n ALA 123 Cb 0.23 -0.70 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 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 -4.66 -0.77 -4.23 0.00 7.64 -0.77 -4.91 113.62 105.93 2diy n SER 124 Ca 0.25 0.84 -0.30 0.00 1.01 0.00 0.00 58.87 60.68 2diy n SER 124 Cb 0.86 -0.70 0.19 0.00 -1.01 0.00 0.00 64.21 63.55 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 -0.61 2.43 0.00 6.43 0.01 -1.26 -4.98 113.70 115.71 2diy s SER 125 Ca 0.51 0.63 0.00 0.00 1.31 0.00 0.00 55.95 58.40 2diy s SER 125 Cb -0.73 -0.92 0.00 0.00 0.21 0.00 0.00 66.02 64.57 2diy s SER 125 CO 0.42 -3.19 0.00 0.61 0.41 0.00 0.00 173.24 171.48 2diy n GLY 126 N -2.21 0.75 3.77 3.44 0.00 -1.26 -5.09 105.19 104.59 2diy n GLY 126 Ca 0.12 -2.00 -0.37 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.17 3.85 -0.09 1.61 0.04 -1.26 -4.99 135.00 133.00 2diy s PRO 127 Ca 0.00 1.81 -0.24 0.00 0.04 0.00 0.00 61.00 62.61 2diy s PRO 127 Cb 0.00 -2.50 -0.20 0.00 0.04 0.00 0.00 34.50 31.84 2diy s PRO 127 CO 0.00 -0.48 0.87 0.77 0.04 0.00 0.00 177.00 178.19 2diy h SER 128 N 2.25 -0.04 -0.96 6.66 0.02 -1.97 -3.47 113.55 116.03 2diy h SER 128 Ca -0.49 -0.65 -0.63 0.00 -0.84 0.00 0.00 61.79 59.18 2diy h SER 128 Cb 1.24 0.01 -0.11 0.00 0.14 0.00 0.00 62.40 63.68 2diy h SER 128 CO 0.61 0.69 -0.51 -0.94 -1.14 0.00 0.00 176.83 175.54 2diy s SER 129 N -5.86 4.18 0.00 3.07 1.04 -1.26 -4.94 113.70 109.92 2diy s SER 129 Ca -0.15 -1.42 0.10 0.00 0.48 0.00 0.00 55.95 54.95 2diy s SER 129 Cb -0.01 0.08 0.08 0.00 0.10 0.00 0.00 66.02 66.27 2diy s SER 129 CO 0.59 -0.72 0.82 0.61 0.98 0.00 0.00 173.24 175.51