#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2diy n SER 2 N 0.00 -1.03 -4.77 1.61 3.41 -1.26 -4.88 113.62 106.71 2diy n SER 2 Ca 0.00 -1.05 -0.27 0.00 -0.26 0.00 0.00 58.87 57.29 2diy n SER 2 Cb 0.00 -1.33 -0.06 0.00 -0.26 0.00 0.00 64.21 62.55 2diy n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2diy s SER 3 N -3.15 4.37 0.00 4.04 1.04 -1.26 -5.05 113.70 113.69 2diy s SER 3 Ca 0.55 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.74 2diy s SER 3 Cb -0.32 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.68 2diy s SER 3 CO 0.85 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.98 2diy n GLY 4 N -1.33 -2.09 3.59 7.32 0.00 -1.26 -5.03 105.19 106.39 2diy n GLY 4 Ca -0.05 0.77 -0.23 0.00 0.00 0.00 0.00 46.02 46.51 2diy n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2diy n SER 5 N 0.00 -5.39 -4.88 1.61 7.64 -1.26 -4.99 113.62 106.35 2diy n SER 5 Ca 0.00 -0.57 -0.33 0.00 1.01 0.00 0.00 58.87 58.98 2diy n SER 5 Cb 0.00 -4.97 -0.05 0.00 -1.01 0.00 0.00 64.21 58.18 2diy n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2diy s SER 6 N -3.54 6.55 -0.01 6.43 0.01 -1.26 -5.10 113.70 116.79 2diy s SER 6 Ca 0.47 0.68 0.02 0.00 1.31 0.00 0.00 55.95 58.43 2diy s SER 6 Cb -0.21 -2.13 -0.00 0.00 0.21 0.00 0.00 66.02 63.89 2diy s SER 6 CO 0.74 0.11 -0.06 -0.83 0.41 0.00 0.00 173.24 173.61 2diy s GLY 7 N -2.11 0.32 0.10 3.44 0.00 -1.26 -5.06 107.32 102.75 2diy s GLY 7 Ca 0.37 -0.25 -0.31 0.00 0.00 0.00 0.00 44.72 44.53 2diy s GLY 7 CO 0.21 -0.16 1.60 1.98 0.00 0.00 0.00 173.10 176.73 2diy h MET 8 N 6.10 -0.69 -3.31 2.90 1.85 -2.07 -3.29 114.93 116.43 2diy h MET 8 Ca -0.30 0.05 -0.71 0.00 -0.61 0.00 0.00 59.70 58.13 2diy h MET 8 Cb 1.18 0.16 -0.35 0.00 0.43 0.00 0.00 31.60 33.02 2diy h MET 8 CO 0.50 -0.46 -0.04 0.00 -0.40 0.00 0.00 176.91 176.51 2diy n ALA 9 N -2.74 3.87 -3.87 0.39 0.00 -1.26 -5.01 120.51 111.89 2diy n ALA 9 Ca -0.09 -4.61 -0.27 0.00 0.00 0.00 0.00 53.44 48.47 2diy n ALA 9 Cb 0.38 -1.76 -0.17 0.00 0.00 0.00 0.00 19.45 17.90 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 -1.42 1.36 0.00 0.00 0.00 -1.24 -4.87 121.76 115.59 2diy s ALA 10 Ca 0.28 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.52 2diy s ALA 10 Cb -0.07 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 21.98 2diy s ALA 10 CO -0.12 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.30 2diy n GLY 11 N 4.92 2.64 3.68 0.00 0.00 -1.26 -5.01 105.19 110.16 2diy n GLY 11 Ca -0.11 -0.60 -0.55 0.00 0.00 0.00 0.00 46.02 44.76 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 0.16 -3.53 4.61 0.00 -1.26 -4.91 120.51 115.57 2diy n ALA 12 Ca 0.00 0.33 -0.08 0.00 0.00 0.00 0.00 53.44 53.68 2diy n ALA 12 Cb 0.00 -2.31 -0.03 0.00 0.00 0.00 0.00 19.45 17.11 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 3.99 -1.89 -0.18 0.00 0.00 -1.26 -5.07 121.76 117.35 2diy s ALA 13 Ca 0.98 1.25 -0.37 0.00 0.00 0.00 0.00 51.96 53.81 2diy s ALA 13 Cb -0.97 0.05 -0.14 0.00 0.00 0.00 0.00 23.12 22.06 2diy s ALA 13 CO 0.61 -0.58 1.79 0.39 0.00 0.00 0.00 175.76 177.98 2diy n GLU 14 N 0.03 1.63 -3.95 0.00 -0.58 -1.26 -4.93 120.64 111.57 2diy n GLU 14 Ca -0.08 0.60 -0.30 0.00 -0.42 0.00 0.00 57.16 56.95 2diy n GLU 14 Cb 0.60 -2.35 -0.14 0.00 -0.57 0.00 0.00 31.44 28.98 2diy n GLU 14 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2diy s ALA 15 N 3.66 2.96 -0.30 0.62 0.00 -1.26 -5.08 121.76 122.36 2diy s ALA 15 Ca 0.95 -2.82 -0.13 0.00 0.00 0.00 0.00 51.96 49.96 2diy s ALA 15 Cb -0.89 -2.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 2diy s ALA 15 CO 0.59 -1.86 0.27 0.00 0.00 0.00 0.00 175.76 174.76 2diy s ALA 16 N 0.38 3.53 -0.29 0.00 0.00 -1.26 -5.06 121.76 119.05 2diy s ALA 16 Ca 0.14 -1.09 -0.13 0.00 0.00 0.00 0.00 51.96 50.88 2diy s ALA 16 Cb -0.22 -2.62 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 2diy s ALA 16 CO -0.05 -0.73 0.28 0.08 0.00 0.00 0.00 175.76 175.34 2diy s VAL 17 N 1.87 5.24 -0.78 0.00 1.01 -1.26 -4.99 120.40 121.50 2diy s VAL 17 Ca 0.10 0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.31 2diy s VAL 17 Cb -0.16 -3.65 0.35 0.00 0.00 0.00 0.00 36.38 32.92 2diy s VAL 17 CO 0.11 0.14 1.64 0.00 0.00 0.00 0.00 175.10 176.99 2diy n ALA 18 N 5.20 5.86 -2.43 5.51 0.00 -1.26 -5.00 120.51 128.40 2diy n ALA 18 Ca -0.11 -4.38 -0.27 0.00 0.00 0.00 0.00 53.44 48.68 2diy n ALA 18 Cb 0.51 -1.59 -0.12 0.00 0.00 0.00 0.00 19.45 18.25 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 -3.97 2.46 -0.06 0.00 0.00 -1.26 -4.14 121.76 114.80 2diy s ALA 19 Ca 0.47 -1.60 -0.30 0.00 0.00 0.00 0.00 51.96 50.53 2diy s ALA 19 Cb 0.34 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 2diy s ALA 19 CO -0.25 0.42 1.22 0.08 0.00 0.00 0.00 175.76 177.23 2diy s VAL 20 N -1.63 4.21 -0.11 0.00 1.01 -1.26 -4.78 120.40 117.84 2diy s VAL 20 Ca 0.19 1.53 -0.23 0.00 0.00 0.00 0.00 61.98 63.48 2diy s VAL 20 Cb -0.08 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 2diy s VAL 20 CO 0.09 -0.01 0.69 -1.61 0.00 0.00 0.00 175.10 174.25 2diy s GLU 21 N 2.33 4.36 -0.34 2.72 2.02 -1.06 -4.88 118.70 123.86 2diy s GLU 21 Ca 0.56 0.81 -0.29 0.00 0.02 0.00 0.00 54.97 56.07 2diy s GLU 21 Cb -0.25 -3.49 0.02 0.00 0.10 0.00 0.00 34.13 30.50 2diy s GLU 21 CO 0.22 -0.05 1.13 -1.83 0.02 0.00 0.00 175.26 174.75 2diy s GLU 22 N 1.21 3.99 -0.79 1.61 -1.05 -1.26 -2.39 118.70 120.01 2diy s GLU 22 Ca 0.35 1.03 -0.12 0.00 -0.15 0.00 0.00 54.97 56.07 2diy s GLU 22 Cb -0.17 -3.79 0.21 0.00 -0.44 0.00 0.00 34.13 29.94 2diy s GLU 22 CO 0.15 -1.02 0.71 0.08 0.95 0.00 0.00 175.26 176.14 2diy s VAL 23 N 3.91 5.33 -0.59 1.83 1.01 -0.64 -4.90 120.40 126.36 2diy s VAL 23 Ca 0.48 -2.52 0.00 0.00 0.00 0.00 0.00 61.98 59.94 2diy s VAL 23 Cb -0.12 -4.31 0.50 0.00 0.00 0.00 0.00 36.38 32.45 2diy s VAL 23 CO 0.19 -1.00 1.95 0.61 0.00 0.00 0.00 175.10 176.84 2diy n GLY 24 N 3.93 5.57 3.64 4.51 0.00 -1.26 -3.70 105.19 117.88 2diy n GLY 24 Ca 0.12 -2.02 -0.06 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.84 -0.24 0.13 1.61 1.04 -1.26 -4.80 113.70 108.34 2diy s SER 25 Ca 0.62 0.47 -0.28 0.00 0.48 0.00 0.00 55.95 57.24 2diy s SER 25 Cb 0.49 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 67.05 2diy s SER 25 CO 0.02 -0.08 1.60 0.00 0.98 0.00 0.00 173.24 175.76 2diy h ALA 26 N 3.68 -0.51 -0.88 5.32 0.00 -1.91 -1.87 119.26 123.10 2diy h ALA 26 Ca -0.28 -0.01 0.23 0.00 0.00 0.00 0.00 54.91 54.86 2diy h ALA 26 Cb 1.19 0.67 -0.15 0.00 0.00 0.00 0.00 17.79 19.50 2diy h ALA 26 CO 0.15 -0.87 0.12 0.78 0.00 0.00 0.00 179.25 179.43 2diy h GLY 27 N -0.47 1.20 0.13 0.00 0.00 -1.97 0.11 103.07 102.06 2diy h GLY 27 Ca 0.07 0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.51 2diy h GLY 27 CO -0.34 -0.40 -0.31 -1.61 0.00 0.00 0.00 176.54 173.88 2diy h GLN 28 N 0.12 -0.35 0.59 4.80 4.15 -1.75 0.39 115.11 123.05 2diy h GLN 28 Ca 0.53 0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.95 2diy h GLN 28 Cb 1.06 0.08 0.01 0.00 0.21 0.00 0.00 27.48 28.84 2diy h GLN 28 CO -0.74 -0.24 -0.28 0.35 -1.93 0.00 0.00 178.83 175.99 2diy h PHE 29 N -0.37 -0.74 -0.98 3.99 3.57 -0.93 -1.73 116.94 119.76 2diy h PHE 29 Ca 0.11 -0.02 0.31 0.00 3.53 0.00 0.00 57.97 61.90 2diy h PHE 29 Cb 0.53 0.24 -0.15 0.00 2.79 0.00 0.00 35.95 39.37 2diy h PHE 29 CO -0.42 -0.46 0.48 0.93 -2.23 0.00 0.00 178.31 176.62 2diy h GLU 30 N -1.04 0.26 0.37 1.11 4.39 -0.81 0.10 114.58 118.96 2diy h GLU 30 Ca -0.08 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 2diy h GLU 30 Cb 0.61 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2diy h GLU 30 CO 0.13 0.17 -0.18 1.49 -1.16 0.00 0.00 179.01 179.46 2diy h GLU 31 N 0.26 -0.48 -0.33 2.33 4.57 -0.18 -3.23 114.58 117.53 2diy h GLU 31 Ca 0.70 0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.98 2diy h GLU 31 Cb 1.59 0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 30.23 2diy h GLU 31 CO -0.64 -0.19 -0.10 1.25 -1.18 0.00 0.00 179.01 178.15 2diy h LEU 32 N -0.77 -0.35 -1.08 1.64 5.85 -0.03 -1.29 115.31 119.27 2diy h LEU 32 Ca -0.05 0.10 0.36 0.00 0.84 0.00 0.00 57.88 59.13 2diy h LEU 32 Cb 0.52 0.22 -0.09 0.00 0.37 0.00 0.00 40.66 41.68 2diy h LEU 32 CO 0.08 -0.13 0.71 0.18 -0.34 0.00 0.00 178.44 178.95 2diy n LEU 33 N -5.28 0.12 -0.03 2.25 4.77 0.15 0.18 117.00 119.17 2diy n LEU 33 Ca 0.01 0.95 -0.01 0.00 -0.03 0.00 0.00 56.01 56.93 2diy n LEU 33 Cb 0.20 -0.47 -0.00 0.00 -2.33 0.00 0.00 43.42 40.82 2diy n LEU 33 CO 0.18 -1.02 0.02 0.03 -1.33 0.00 0.00 177.39 175.26 2diy h ARG 34 N 0.00 -0.05 -0.44 3.23 3.08 -1.34 -3.16 114.38 115.70 2diy h ARG 34 Ca 0.65 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.79 2diy h ARG 34 Cb 2.19 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 32.16 2diy h ARG 34 CO -0.28 -0.03 -0.14 -0.07 -1.07 0.00 0.00 179.97 178.38 2diy h LEU 35 N -1.00 -0.50 -3.49 3.04 3.38 -0.20 -0.07 115.31 116.48 2diy h LEU 35 Ca -0.01 0.14 -0.31 0.00 0.09 0.00 0.00 57.88 57.80 2diy h LEU 35 Cb 0.04 0.31 -0.13 0.00 0.09 0.00 0.00 40.66 40.96 2diy h LEU 35 CO 0.01 -0.17 0.39 0.29 0.09 0.00 0.00 178.44 179.04 2diy n LYS 36 N -5.35 1.78 -0.46 1.13 4.76 0.95 -4.40 118.16 116.57 2diy n LYS 36 Ca 0.03 -1.50 0.04 0.00 -2.87 0.00 0.00 58.31 54.01 2diy n LYS 36 Cb 0.26 -1.60 0.21 0.00 -1.84 0.00 0.00 35.03 32.06 2diy n LYS 36 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2diy n ALA 37 N 0.45 3.21 0.00 7.82 0.00 -0.04 -4.10 120.51 127.84 2diy n ALA 37 Ca 0.29 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.74 2diy n ALA 37 Cb 0.57 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.96 2diy n ALA 37 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2diy n LYS 38 N 0.34 0.00 -2.60 0.00 4.76 -1.26 -4.08 118.16 115.31 2diy n LYS 38 Ca 0.14 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.33 2diy n LYS 38 Cb 0.73 -0.48 0.02 0.00 -1.84 0.00 0.00 35.03 33.47 2diy n LYS 38 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2diy s SER 39 N -4.94 5.82 -0.28 4.39 0.01 -1.26 -4.90 113.70 112.53 2diy s SER 39 Ca 0.00 0.66 -0.29 0.00 1.31 0.00 0.00 55.95 57.64 2diy s SER 39 Cb 0.00 -1.80 -0.02 0.00 0.21 0.00 0.00 66.02 64.41 2diy s SER 39 CO 0.00 -0.85 1.75 -0.22 0.41 0.00 0.00 173.24 174.33 2diy s LEU 40 N -4.82 3.65 -0.04 2.44 2.96 -1.23 -4.73 118.68 116.91 2diy s LEU 40 Ca 0.51 1.45 -0.17 0.00 -0.22 0.00 0.00 54.13 55.70 2diy s LEU 40 Cb -0.10 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 2diy s LEU 40 CO 0.43 -1.54 0.47 -0.22 -1.32 0.00 0.00 176.35 174.17 2diy s LEU 41 N 6.28 4.40 -0.25 -0.68 2.96 -1.00 -1.58 118.68 128.81 2diy s LEU 41 Ca 0.78 0.96 0.01 0.00 -0.22 0.00 0.00 54.13 55.66 2diy s LEU 41 Cb -0.24 -2.70 0.07 0.00 0.50 0.00 0.00 46.19 43.82 2diy s LEU 41 CO 0.33 0.18 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.81 2diy s VAL 42 N -0.36 1.51 -0.42 1.68 1.01 0.64 -1.44 120.40 123.02 2diy s VAL 42 Ca 0.26 -1.29 -0.16 0.00 0.00 0.00 0.00 61.98 60.78 2diy s VAL 42 Cb -0.17 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.41 2diy s VAL 42 CO 0.13 -0.18 0.39 -0.69 0.00 0.00 0.00 175.10 174.75 2diy s VAL 43 N 1.39 5.15 -0.15 2.92 1.01 -0.42 -1.24 120.40 129.05 2diy s VAL 43 Ca -0.03 -0.47 -0.10 0.00 0.00 0.00 0.00 61.98 61.37 2diy s VAL 43 Cb -0.19 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 2diy s VAL 43 CO -0.08 -0.39 0.19 -2.28 0.00 0.00 0.00 175.10 172.55 2diy s HIS 44 N 1.97 3.51 -0.34 5.22 5.65 0.18 0.91 115.29 132.39 2diy s HIS 44 Ca 0.09 0.51 -0.18 0.00 0.25 0.00 0.00 55.06 55.73 2diy s HIS 44 Cb -0.18 -2.14 -0.01 0.00 -1.18 0.00 0.00 32.58 29.08 2diy s HIS 44 CO 0.12 0.45 0.53 -0.06 -0.65 0.00 0.00 174.74 175.14 2diy s PHE 45 N -0.18 3.19 -0.05 3.88 0.40 0.27 -0.07 117.98 125.41 2diy s PHE 45 Ca 0.13 0.26 0.04 0.00 -0.60 0.00 0.00 56.93 56.77 2diy s PHE 45 Cb -0.12 -2.93 -0.02 0.00 0.51 0.00 0.00 43.02 40.45 2diy s PHE 45 CO 0.02 -0.52 -0.16 1.67 0.70 0.00 0.00 175.22 176.94 2diy s TRP 46 N 2.43 2.66 0.01 0.36 1.48 -0.35 -3.71 118.94 121.83 2diy s TRP 46 Ca 0.20 -0.20 0.05 0.00 -1.06 0.00 0.00 56.10 55.09 2diy s TRP 46 Cb -0.15 -1.62 -0.02 0.00 -1.16 0.00 0.00 33.47 30.52 2diy s TRP 46 CO 0.13 0.16 -0.16 0.00 -4.06 0.00 0.00 176.95 173.02 2diy s ALA 47 N -0.70 1.30 0.06 2.67 0.00 -1.26 -2.50 121.76 121.33 2diy s ALA 47 Ca 0.11 -0.75 0.33 0.00 0.00 0.00 0.00 51.96 51.65 2diy s ALA 47 Cb -0.11 -0.29 1.37 0.00 0.00 0.00 0.00 23.12 24.09 2diy s ALA 47 CO 0.00 0.30 1.97 -1.00 0.00 0.00 0.00 175.76 177.03 2diy h PRO 48 N 5.45 0.00 0.05 0.00 0.13 -2.00 -3.03 132.00 132.60 2diy h PRO 48 Ca -0.37 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.43 2diy h PRO 48 Cb 1.16 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 2diy h PRO 48 CO 0.47 0.00 -1.94 -2.67 -0.23 0.00 0.00 178.00 173.63 2diy n TRP 49 N -2.99 0.96 -2.71 1.56 4.27 -1.26 -4.82 117.44 112.45 2diy n TRP 49 Ca 0.01 0.27 -0.43 0.00 -3.89 0.00 0.00 57.50 53.46 2diy n TRP 49 Cb 0.29 -1.15 -0.03 0.00 -1.36 0.00 0.00 31.31 29.06 2diy n TRP 49 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2diy s ALA 50 N -2.57 3.30 -1.13 -1.67 0.00 -1.15 -4.89 121.76 113.65 2diy s ALA 50 Ca -0.15 -0.47 0.14 0.00 0.00 0.00 0.00 51.96 51.49 2diy s ALA 50 Cb 0.07 -3.71 0.64 0.00 0.00 0.00 0.00 23.12 20.13 2diy s ALA 50 CO 0.79 -1.91 1.43 -0.35 0.00 0.00 0.00 175.76 175.72 2diy n PRO 51 N 7.25 0.06 0.09 0.00 -0.04 -1.26 -3.25 135.00 137.85 2diy n PRO 51 Ca 0.09 0.22 -0.12 0.00 -0.04 0.00 0.00 63.50 63.65 2diy n PRO 51 Cb 0.48 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.36 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 -0.26 -1.16 0.54 4.20 -1.91 -3.04 115.11 113.48 2diy h GLN 52 Ca 0.00 0.02 0.34 0.00 0.06 0.00 0.00 58.65 59.06 2diy h GLN 52 Cb 0.21 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.00 2diy h GLN 52 CO 0.00 0.12 1.19 0.00 -0.67 0.00 0.00 178.83 179.47 2diy h ALA 54 N 0.58 -1.03 -0.96 0.00 0.00 -1.74 0.36 119.26 116.47 2diy h ALA 54 Ca 0.55 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.62 2diy h ALA 54 Cb 2.93 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 20.68 2diy h ALA 54 CO -0.01 -1.02 0.61 -0.56 0.00 0.00 0.00 179.25 178.27 2diy h GLN 55 N -0.10 0.62 -0.59 0.00 3.07 -1.20 0.41 115.11 117.33 2diy h GLN 55 Ca -0.01 -0.04 -0.11 0.00 0.09 0.00 0.00 58.65 58.59 2diy h GLN 55 Cb 0.07 -0.14 -0.02 0.00 0.08 0.00 0.00 27.48 27.47 2diy h GLN 55 CO 0.02 0.41 -0.04 0.52 0.09 0.00 0.00 178.83 179.82 2diy h MET 56 N 0.64 1.07 0.42 0.06 2.86 -1.40 -2.74 114.93 115.85 2diy h MET 56 Ca 0.52 -0.36 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 2diy h MET 56 Cb 0.95 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.51 2diy h MET 56 CO -0.27 1.07 -0.40 -0.91 1.06 0.00 0.00 176.91 177.46 2diy h ASN 57 N 0.96 -1.06 -0.58 1.22 2.35 0.20 -0.93 115.58 117.74 2diy h ASN 57 Ca 0.16 0.09 0.13 0.00 -0.55 0.00 0.00 56.30 56.13 2diy h ASN 57 Cb 0.61 0.35 -0.03 0.00 0.05 0.00 0.00 38.32 39.30 2diy h ASN 57 CO 0.04 -0.55 0.40 1.05 -1.65 0.00 0.00 177.43 176.72 2diy h GLU 58 N -0.83 0.18 -0.47 0.81 4.11 -1.48 -0.50 114.58 116.40 2diy h GLU 58 Ca -0.04 -0.01 -0.13 0.00 0.07 0.00 0.00 59.36 59.25 2diy h GLU 58 Cb 0.73 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 2diy h GLU 58 CO -0.05 0.12 -0.23 0.28 0.07 0.00 0.00 179.01 179.20 2diy h VAL 59 N 0.19 1.27 0.87 -1.06 2.07 -1.01 -3.16 116.25 115.41 2diy h VAL 59 Ca 0.28 -1.40 -0.04 0.00 0.82 0.00 0.00 66.70 66.36 2diy h VAL 59 Cb 0.83 1.16 0.01 0.00 -1.52 0.00 0.00 31.29 31.77 2diy h VAL 59 CO -0.05 0.48 -0.42 0.24 0.02 0.00 0.00 177.57 177.85 2diy h MET 60 N 0.84 -1.12 -0.92 1.57 2.86 0.22 -2.80 114.93 115.58 2diy h MET 60 Ca 0.10 0.08 0.08 0.00 -2.06 0.00 0.00 59.70 57.90 2diy h MET 60 Cb 0.81 0.25 -0.11 0.00 0.06 0.00 0.00 31.60 32.62 2diy h MET 60 CO 0.07 -0.74 -0.54 0.00 1.06 0.00 0.00 176.91 176.75 2diy h ALA 61 N -1.11 -0.51 -0.99 6.32 0.00 -1.54 0.76 119.26 122.19 2diy h ALA 61 Ca -0.12 0.11 0.26 0.00 0.00 0.00 0.00 54.91 55.16 2diy h ALA 61 Cb 0.90 1.35 -0.13 0.00 0.00 0.00 0.00 17.79 19.91 2diy h ALA 61 CO 0.20 -0.90 0.57 0.93 0.00 0.00 0.00 179.25 180.05 2diy h GLU 62 N -0.00 0.50 -0.16 0.00 5.08 -1.55 0.39 114.58 118.84 2diy h GLU 62 Ca 0.15 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.32 2diy h GLU 62 Cb 0.38 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2diy h GLU 62 CO -0.86 0.33 -0.56 -0.07 -1.00 0.00 0.00 179.01 176.85 2diy h LEU 63 N 0.52 0.54 -0.05 1.33 3.38 0.58 -2.77 115.31 118.84 2diy h LEU 63 Ca 0.65 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 58.35 2diy h LEU 63 Cb 1.28 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.82 2diy h LEU 63 CO -0.51 0.99 -0.53 0.00 0.09 0.00 0.00 178.44 178.48 2diy h ALA 64 N 1.02 -0.93 -0.11 1.53 0.00 0.37 0.34 119.26 121.47 2diy h ALA 64 Ca 0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2diy h ALA 64 Cb 1.09 0.97 -0.01 0.00 0.00 0.00 0.00 17.79 19.85 2diy h ALA 64 CO 0.10 -1.10 0.05 1.57 0.00 0.00 0.00 179.25 179.87 2diy h LYS 65 N -0.64 0.17 -0.88 0.00 2.10 -1.58 -2.83 116.57 112.91 2diy h LYS 65 Ca 0.02 -0.03 0.17 0.00 -2.00 0.00 0.00 60.65 58.81 2diy h LYS 65 Cb 0.70 -0.03 -0.10 0.00 -0.90 0.00 0.00 32.23 31.90 2diy h LYS 65 CO -0.38 0.24 0.44 1.49 -2.00 0.00 0.00 179.45 179.23 2diy h GLU 66 N 0.05 0.55 -3.58 0.07 4.57 -1.17 -3.26 114.58 111.82 2diy h GLU 66 Ca 0.04 -0.03 -0.68 0.00 -1.18 0.00 0.00 59.36 57.50 2diy h GLU 66 Cb 0.13 -0.12 -0.37 0.00 -0.16 0.00 0.00 28.75 28.23 2diy h GLU 66 CO -0.00 0.37 -0.43 -0.51 -1.18 0.00 0.00 179.01 177.25 2diy s LEU 67 N -10.39 5.02 0.52 1.64 1.43 0.12 -4.92 118.68 112.09 2diy s LEU 67 Ca -0.12 -2.87 0.30 0.00 -1.03 0.00 0.00 54.13 50.42 2diy s LEU 67 Cb 0.23 -1.80 1.28 0.00 0.03 0.00 0.00 46.19 45.93 2diy s LEU 67 CO 0.78 -0.34 1.96 1.55 0.23 0.00 0.00 176.35 180.53 2diy h PRO 68 N 6.93 0.00 -0.82 1.29 0.13 -1.60 -2.71 132.00 135.22 2diy h PRO 68 Ca -0.03 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.07 2diy h PRO 68 Cb 0.94 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.05 2diy h PRO 68 CO 0.70 0.08 0.04 0.00 -0.23 0.00 0.00 178.00 178.59 2diy n GLN 69 N -3.24 2.74 -4.22 0.86 0.00 -1.26 -4.86 117.38 107.40 2diy n GLN 69 Ca 0.00 -1.50 -0.17 0.00 0.00 0.00 0.00 57.00 55.33 2diy n GLN 69 Cb 0.33 -1.84 -0.11 0.00 0.00 0.00 0.00 30.24 28.62 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 -1.82 1.21 -0.20 -0.39 1.01 -1.02 -3.58 120.40 115.61 2diy s VAL 70 Ca 0.26 -1.67 0.02 0.00 0.00 0.00 0.00 61.98 60.59 2diy s VAL 70 Cb 0.20 -1.45 0.03 0.00 0.00 0.00 0.00 36.38 35.16 2diy s VAL 70 CO 0.07 -0.44 -0.17 -0.55 0.00 0.00 0.00 175.10 174.01 2diy s SER 71 N -2.41 3.53 -0.34 3.32 0.15 -0.62 -4.99 113.70 112.36 2diy s SER 71 Ca 0.07 -0.88 -0.11 0.00 0.70 0.00 0.00 55.95 55.73 2diy s SER 71 Cb -0.05 -1.49 -0.00 0.00 -1.71 0.00 0.00 66.02 62.77 2diy s SER 71 CO 0.02 -0.06 0.20 -0.36 1.20 0.00 0.00 173.24 174.24 2diy s PHE 72 N 1.24 3.21 -0.10 3.44 0.40 -1.26 -0.26 117.98 124.64 2diy s PHE 72 Ca 0.01 -0.50 0.01 0.00 -0.60 0.00 0.00 56.93 55.84 2diy s PHE 72 Cb -0.15 -2.42 0.02 0.00 0.51 0.00 0.00 43.02 40.97 2diy s PHE 72 CO -0.10 -0.46 -0.10 0.14 0.70 0.00 0.00 175.22 175.40 2diy s VAL 73 N 1.65 1.14 -0.19 -0.44 -7.23 -0.37 -2.55 120.40 112.40 2diy s VAL 73 Ca 0.05 -0.40 -0.10 0.00 -1.81 0.00 0.00 61.98 59.71 2diy s VAL 73 Cb -0.18 -1.10 -0.05 0.00 0.56 0.00 0.00 36.38 35.61 2diy s VAL 73 CO 0.08 0.38 0.14 -1.59 -0.31 0.00 0.00 175.10 173.80 2diy s LYS 74 N 1.30 4.14 -0.06 4.82 -2.85 -1.01 -0.64 119.74 125.44 2diy s LYS 74 Ca -0.02 -0.20 0.02 0.00 -1.00 0.00 0.00 55.97 54.77 2diy s LYS 74 Cb -0.14 -3.41 -0.03 0.00 -2.06 0.00 0.00 37.83 32.20 2diy s LYS 74 CO -0.04 0.33 -0.11 -1.17 0.10 0.00 0.00 175.35 174.45 2diy s LEU 75 N 0.27 2.90 -0.63 2.77 0.20 0.90 -1.61 118.68 123.49 2diy s LEU 75 Ca 0.09 -0.14 -0.26 0.00 0.69 0.00 0.00 54.13 54.51 2diy s LEU 75 Cb -0.11 -1.61 0.04 0.00 -0.43 0.00 0.00 46.19 44.08 2diy s LEU 75 CO -0.01 0.34 1.12 -0.70 -0.29 0.00 0.00 176.35 176.80 2diy s GLU 76 N -0.68 3.31 0.32 1.98 2.12 -1.24 -1.21 118.70 123.29 2diy s GLU 76 Ca 0.10 -0.19 0.07 0.00 0.36 0.00 0.00 54.97 55.31 2diy s GLU 76 Cb -0.11 -4.10 0.76 0.00 0.26 0.00 0.00 34.13 30.94 2diy s GLU 76 CO 0.01 -1.78 1.80 0.00 -0.54 0.00 0.00 175.26 174.75 2diy h ALA 77 N 9.62 1.73 -0.56 6.30 0.00 -1.83 0.42 119.26 134.95 2diy h ALA 77 Ca -0.27 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 2diy h ALA 77 Cb 1.06 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 2diy h ALA 77 CO 1.19 -0.07 0.11 0.39 0.00 0.00 0.00 179.25 180.87 2diy n GLU 78 N -4.69 3.84 0.00 0.00 -0.58 -1.26 -4.21 120.64 113.74 2diy n GLU 78 Ca 0.22 -2.63 0.00 0.00 -0.42 0.00 0.00 57.16 54.33 2diy n GLU 78 Cb 0.55 -2.12 0.00 0.00 -0.57 0.00 0.00 31.44 29.30 2diy n GLU 78 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2diy n GLY 79 N 0.24 0.00 2.59 0.62 0.00 0.13 -4.93 105.19 103.84 2diy n GLY 79 Ca 0.29 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.04 2diy n GLY 79 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2diy n VAL 80 N -2.06 0.50 0.64 1.61 0.31 -0.22 -4.85 118.33 114.26 2diy n VAL 80 Ca 0.00 -4.32 0.07 0.00 -0.01 0.00 0.00 64.34 60.08 2diy n VAL 80 Cb 0.40 -1.97 0.35 0.00 -0.91 0.00 0.00 33.84 31.72 2diy n VAL 80 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2diy n PRO 81 N 2.07 0.15 0.10 5.55 -0.04 -1.26 -2.74 135.00 138.83 2diy n PRO 81 Ca 0.25 0.18 -0.02 0.00 -0.04 0.00 0.00 63.50 63.86 2diy n PRO 81 Cb 0.42 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.60 2diy n PRO 81 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2diy h GLU 82 N 0.00 0.22 0.06 0.54 4.57 -1.95 -2.68 114.58 115.35 2diy h GLU 82 Ca 0.00 -0.11 -0.37 0.00 -1.18 0.00 0.00 59.36 57.70 2diy h GLU 82 Cb 0.17 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.71 2diy h GLU 82 CO 0.00 0.62 -2.22 0.28 -1.18 0.00 0.00 179.01 176.50 2diy n VAL 83 N -4.01 1.63 0.00 0.32 0.31 -1.11 -4.09 118.33 111.39 2diy n VAL 83 Ca -0.02 -0.63 0.13 0.00 -0.01 0.00 0.00 64.34 63.82 2diy n VAL 83 Cb 0.49 -1.54 0.57 0.00 -0.91 0.00 0.00 33.84 32.45 2diy n VAL 83 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2diy h SER 84 N 0.04 0.21 -0.10 4.52 0.02 -1.60 -1.91 113.55 114.73 2diy h SER 84 Ca -0.50 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.43 2diy h SER 84 Cb 1.98 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 64.47 2diy h SER 84 CO 0.00 0.13 -0.05 1.05 -1.14 0.00 0.00 176.83 176.82 2diy h GLU 85 N 0.24 0.21 0.13 3.45 4.11 -1.65 1.19 114.58 122.26 2diy h GLU 85 Ca 0.21 -0.10 0.02 0.00 0.07 0.00 0.00 59.36 59.57 2diy h GLU 85 Cb 0.54 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 2diy h GLU 85 CO -0.04 0.57 -0.42 -0.22 0.07 0.00 0.00 179.01 178.97 2diy h LYS 86 N -0.15 -0.64 0.00 1.06 3.64 -1.50 -1.73 116.57 117.25 2diy h LYS 86 Ca 0.02 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2diy h LYS 86 Cb 0.51 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2diy h LYS 86 CO 0.02 -0.42 -0.10 0.66 -2.27 0.00 0.00 179.45 177.33 2diy n TYR 87 N -5.47 0.26 -3.38 1.91 4.02 -1.03 -4.93 117.16 108.54 2diy n TYR 87 Ca -0.07 0.07 -0.18 0.00 -0.01 0.00 0.00 57.90 57.71 2diy n TYR 87 Cb 0.38 -0.58 0.08 0.00 -0.02 0.00 0.00 39.34 39.19 2diy n TYR 87 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2diy n GLU 88 N -1.72 -6.54 -2.61 -0.72 1.02 0.37 -4.90 120.64 105.53 2diy n GLU 88 Ca 0.06 0.74 -0.42 0.00 -0.02 0.00 0.00 57.16 57.53 2diy n GLU 88 Cb 0.37 -5.50 -0.02 0.00 -0.02 0.00 0.00 31.44 26.27 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 -3.30 4.11 -0.51 -3.67 -1.09 0.11 -4.78 121.20 112.06 2diy s ILE 89 Ca 0.28 -1.34 0.02 0.00 -2.23 0.00 0.00 60.65 57.38 2diy s ILE 89 Cb -0.12 -5.08 0.47 0.00 -1.58 0.00 0.00 42.46 36.14 2diy s ILE 89 CO 0.65 -1.93 1.72 -1.54 -1.23 0.00 0.00 174.94 172.61 2diy n SER 90 N 8.37 6.30 -3.67 3.58 3.41 -1.26 -4.91 113.62 125.44 2diy n SER 90 Ca 0.38 -3.77 -0.13 0.00 -0.26 0.00 0.00 58.87 55.10 2diy n SER 90 Cb 0.49 -0.74 -0.08 0.00 -0.26 0.00 0.00 64.21 63.61 2diy n SER 90 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2diy s SER 91 N -2.44 -0.65 0.01 4.04 0.01 -1.26 -5.17 113.70 108.23 2diy s SER 91 Ca 0.59 1.21 -0.08 0.00 1.31 0.00 0.00 55.95 58.98 2diy s SER 91 Cb 0.47 1.21 0.00 0.00 0.21 0.00 0.00 66.02 67.91 2diy s SER 91 CO 0.01 -0.21 0.16 0.68 0.41 0.00 0.00 173.24 174.29 2diy s VAL 92 N 0.50 0.08 0.79 3.43 -7.23 -1.26 -4.12 120.40 112.60 2diy s VAL 92 Ca -0.01 -0.70 -0.11 0.00 -1.81 0.00 0.00 61.98 59.35 2diy s VAL 92 Cb -0.04 -0.50 0.07 0.00 0.56 0.00 0.00 36.38 36.46 2diy s VAL 92 CO -0.02 -0.38 1.09 -2.16 -0.31 0.00 0.00 175.10 173.32 2diy s PRO 93 N -1.50 2.11 -0.30 4.82 0.04 -1.26 -4.93 135.00 133.98 2diy s PRO 93 Ca -0.14 1.12 -0.09 0.00 0.04 0.00 0.00 61.00 61.93 2diy s PRO 93 Cb -0.07 -1.88 0.14 0.00 0.04 0.00 0.00 34.50 32.73 2diy s PRO 93 CO 0.01 -1.73 0.68 0.99 0.04 0.00 0.00 177.00 176.99 2diy s THR 94 N -2.91 -0.94 0.15 1.26 2.01 -1.24 -2.31 115.64 111.66 2diy s THR 94 Ca 0.61 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 62.60 2diy s THR 94 Cb -0.17 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.29 2diy s THR 94 CO 0.56 0.00 0.34 -0.36 -0.69 0.00 0.00 174.62 174.47 2diy s PHE 95 N 2.85 3.49 -0.24 4.92 0.40 0.24 -0.57 117.98 129.07 2diy s PHE 95 Ca -0.01 0.38 -0.03 0.00 -0.60 0.00 0.00 56.93 56.68 2diy s PHE 95 Cb -0.12 -1.87 0.08 0.00 0.51 0.00 0.00 43.02 41.61 2diy s PHE 95 CO -0.19 0.45 0.07 -0.51 0.70 0.00 0.00 175.22 175.74 2diy s LEU 96 N -2.93 1.32 -0.25 -0.37 1.43 0.26 -2.36 118.68 115.77 2diy s LEU 96 Ca 0.38 -1.12 -0.27 0.00 -1.03 0.00 0.00 54.13 52.10 2diy s LEU 96 Cb -0.12 -0.61 0.00 0.00 0.03 0.00 0.00 46.19 45.50 2diy s LEU 96 CO 0.27 -0.36 0.93 -0.36 0.23 0.00 0.00 176.35 177.06 2diy s PHE 97 N 1.85 3.29 -0.06 0.29 0.40 -0.83 -1.31 117.98 121.61 2diy s PHE 97 Ca 0.04 1.23 0.04 0.00 -0.60 0.00 0.00 56.93 57.63 2diy s PHE 97 Cb -0.17 -3.23 -0.02 0.00 0.51 0.00 0.00 43.02 40.11 2diy s PHE 97 CO -0.18 -0.49 -0.17 -0.06 0.70 0.00 0.00 175.22 175.02 2diy s PHE 98 N 3.09 2.66 -0.41 0.36 0.08 -0.52 -2.08 117.98 121.14 2diy s PHE 98 Ca 0.39 -0.36 0.02 0.00 0.12 0.00 0.00 56.93 57.10 2diy s PHE 98 Cb -0.15 -1.66 0.12 0.00 -0.57 0.00 0.00 43.02 40.76 2diy s PHE 98 CO 0.08 0.03 0.18 0.21 -0.10 0.00 0.00 175.22 175.62 2diy s LYS 99 N -0.42 1.40 -0.56 0.44 2.47 0.08 -2.37 119.74 120.79 2diy s LYS 99 Ca 0.05 -1.97 -0.00 0.00 -1.56 0.00 0.00 55.97 52.49 2diy s LYS 99 Cb -0.12 -2.71 0.00 0.00 -1.46 0.00 0.00 37.83 33.54 2diy s LYS 99 CO 0.02 -1.07 0.47 -1.71 0.16 0.00 0.00 175.35 173.22 2diy n ASN 100 N 3.82 -2.14 -2.80 1.43 2.85 -1.26 -3.36 115.26 113.81 2diy n ASN 100 Ca 0.05 -0.28 -0.20 0.00 -0.11 0.00 0.00 54.58 54.04 2diy n ASN 100 Cb 0.37 -2.63 0.04 0.00 1.24 0.00 0.00 39.78 38.80 2diy n ASN 100 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2diy n SER 101 N -1.89 -5.63 -3.44 1.20 7.64 -1.25 -4.99 113.62 105.26 2diy n SER 101 Ca -0.12 -0.31 -0.10 0.00 1.01 0.00 0.00 58.87 59.35 2diy n SER 101 Cb 0.58 -4.40 -0.09 0.00 -1.01 0.00 0.00 64.21 59.29 2diy n SER 101 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2diy s GLN 102 N -5.71 0.32 -0.08 1.43 -0.21 -1.21 -5.12 119.66 109.08 2diy s GLN 102 Ca 0.33 0.63 -0.30 0.00 0.02 0.00 0.00 55.36 56.05 2diy s GLN 102 Cb -0.15 -0.32 -0.08 0.00 1.00 0.00 0.00 33.01 33.46 2diy s GLN 102 CO 0.41 -0.54 2.06 1.17 -2.12 0.00 0.00 175.29 176.27 2diy n LYS 103 N 5.37 2.42 -0.08 2.91 4.81 -1.26 -0.74 118.16 131.59 2diy n LYS 103 Ca -0.05 0.82 -0.10 0.00 -0.87 0.00 0.00 58.31 58.12 2diy n LYS 103 Cb 0.50 -3.03 -0.10 0.00 0.02 0.00 0.00 35.03 32.42 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 6.32 1.02 -4.18 3.15 -5.35 -0.88 -4.92 119.36 114.51 2diy n ILE 104 Ca 0.25 -0.53 -0.13 0.00 -0.27 0.00 0.00 62.75 62.07 2diy n ILE 104 Cb 0.40 -0.84 -0.09 0.00 -1.74 0.00 0.00 39.64 37.37 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 -5.20 0.39 -0.11 7.28 2.15 -1.18 -5.07 116.67 114.93 2diy s ASP 105 Ca -0.15 -1.40 -0.30 0.00 0.43 0.00 0.00 52.55 51.14 2diy s ASP 105 Cb 0.05 0.44 0.09 0.00 -0.30 0.00 0.00 42.92 43.20 2diy s ASP 105 CO 0.52 -0.93 0.80 -0.60 -0.17 0.00 0.00 175.17 174.79 2diy s ARG 106 N -3.99 0.87 -0.07 4.34 3.52 -1.26 -1.96 118.95 120.40 2diy s ARG 106 Ca 0.37 0.29 -0.01 0.00 -0.13 0.00 0.00 55.73 56.26 2diy s ARG 106 Cb 0.05 0.41 0.03 0.00 -1.56 0.00 0.00 34.95 33.88 2diy s ARG 106 CO 0.14 -0.26 -0.03 -1.17 -0.81 0.00 0.00 175.30 173.18 2diy s LEU 107 N -0.99 0.89 -0.11 -0.88 0.20 -1.00 -4.98 118.68 111.82 2diy s LEU 107 Ca -0.07 -0.15 -0.02 0.00 0.69 0.00 0.00 54.13 54.59 2diy s LEU 107 Cb -0.01 -0.54 -0.03 0.00 -0.43 0.00 0.00 46.19 45.18 2diy s LEU 107 CO 0.06 -0.14 -0.04 1.51 -0.29 0.00 0.00 176.35 177.45 2diy s ASP 108 N 1.67 4.83 0.00 3.68 1.47 -1.26 -0.59 116.67 126.46 2diy s ASP 108 Ca 0.01 -0.04 0.00 0.00 1.18 0.00 0.00 52.55 53.71 2diy s ASP 108 Cb -0.13 -1.50 0.00 0.00 -0.34 0.00 0.00 42.92 40.95 2diy s ASP 108 CO -0.05 0.28 0.00 0.61 0.68 0.00 0.00 175.17 176.69 2diy n GLY 109 N 2.79 1.84 3.48 2.12 0.00 -0.98 -4.85 105.19 109.58 2diy n GLY 109 Ca -0.18 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.43 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 -2.40 3.34 -0.26 4.61 0.00 -1.26 -4.66 121.76 121.12 2diy s ALA 110 Ca 0.00 -2.76 -0.01 0.00 0.00 0.00 0.00 51.96 49.18 2diy s ALA 110 Cb 0.00 -4.16 0.03 0.00 0.00 0.00 0.00 23.12 18.99 2diy s ALA 110 CO 0.00 -3.07 -0.06 -1.01 0.00 0.00 0.00 175.76 171.62 2diy s HIS 111 N 2.98 3.12 -0.02 0.00 3.76 -1.26 -5.01 115.29 118.86 2diy s HIS 111 Ca 0.37 -1.71 -0.21 0.00 -0.15 0.00 0.00 55.06 53.36 2diy s HIS 111 Cb -0.03 -2.05 -0.13 0.00 1.11 0.00 0.00 32.58 31.48 2diy s HIS 111 CO -0.08 -0.76 0.92 0.00 -0.85 0.00 0.00 174.74 173.96 2diy h ALA 112 N 7.98 -0.57 0.05 -1.40 0.00 -1.97 -2.84 119.26 120.51 2diy h ALA 112 Ca -0.29 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 2diy h ALA 112 Cb 1.09 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2diy h ALA 112 CO 0.56 -0.58 -0.02 -1.00 0.00 0.00 0.00 179.25 178.20 2diy h PRO 113 N -1.04 -0.06 -0.74 0.00 0.13 -2.00 -3.16 132.00 125.12 2diy h PRO 113 Ca -0.06 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.24 2diy h PRO 113 Cb 0.53 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 31.56 2diy h PRO 113 CO 0.09 0.40 0.15 1.49 -0.23 0.00 0.00 178.00 179.90 2diy h GLU 114 N -0.55 0.23 0.09 0.86 4.57 -1.99 0.52 114.58 118.30 2diy h GLU 114 Ca -0.01 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.18 2diy h GLU 114 Cb 0.49 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.99 2diy h GLU 114 CO 0.01 0.15 -0.29 1.25 -1.18 0.00 0.00 179.01 178.95 2diy h LEU 115 N 0.23 -0.85 -0.09 1.64 5.85 -1.54 -1.21 115.31 119.35 2diy h LEU 115 Ca 0.42 0.10 0.02 0.00 0.84 0.00 0.00 57.88 59.26 2diy h LEU 115 Cb 0.73 0.33 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 2diy h LEU 115 CO -0.54 -0.38 -0.02 0.74 -0.34 0.00 0.00 178.44 177.90 2diy h THR 116 N -0.50 0.91 -0.39 1.05 2.02 -1.23 0.01 112.91 114.79 2diy h THR 116 Ca 0.04 -0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.30 2diy h THR 116 Cb 0.54 0.91 -0.09 0.00 -1.74 0.00 0.00 68.15 67.76 2diy h THR 116 CO -0.19 0.00 -0.31 0.11 0.37 0.00 0.00 175.52 175.50 2diy h LYS 117 N 0.00 -0.24 -0.20 6.66 1.57 -0.65 0.16 116.57 123.87 2diy h LYS 117 Ca 0.04 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2diy h LYS 117 Cb 0.07 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2diy h LYS 117 CO -0.09 -0.16 0.11 0.87 -0.57 0.00 0.00 179.45 179.61 2diy h LYS 118 N -0.25 0.28 -0.15 3.15 1.57 -1.01 0.25 116.57 120.42 2diy h LYS 118 Ca 0.17 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.97 2diy h LYS 118 Cb 0.53 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.72 2diy h LYS 118 CO -0.52 0.28 -0.27 0.28 -0.57 0.00 0.00 179.45 178.64 2diy h VAL 119 N 0.22 0.37 -0.54 0.50 2.07 -0.08 -1.63 116.25 117.16 2diy h VAL 119 Ca 0.07 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.48 2diy h VAL 119 Cb 0.08 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 2diy h VAL 119 CO -0.01 0.00 -0.10 1.56 0.02 0.00 0.00 177.57 179.04 2diy h GLN 120 N -0.33 1.01 -0.05 1.57 4.20 -0.62 -0.75 115.11 120.13 2diy h GLN 120 Ca 0.10 -0.36 0.02 0.00 0.06 0.00 0.00 58.65 58.47 2diy h GLN 120 Cb 0.49 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.15 2diy h GLN 120 CO -0.33 1.05 -0.48 -0.09 -0.67 0.00 0.00 178.83 178.31 2diy h ARG 121 N 0.90 -0.54 0.08 1.46 2.43 0.19 0.45 114.38 119.35 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 0.66 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 2diy h ARG 121 CO 0.05 -0.36 -0.04 0.45 -1.51 0.00 0.00 179.97 178.56 2diy h HIS 122 N -0.56 -0.10 -1.03 2.20 3.86 -1.35 0.24 115.15 118.41 2diy h HIS 122 Ca 0.02 -0.00 0.27 0.00 -1.16 0.00 0.00 60.37 59.50 2diy h HIS 122 Cb 0.62 0.03 -0.12 0.00 1.06 0.00 0.00 27.41 29.00 2diy h HIS 122 CO -0.53 0.27 0.62 0.00 0.86 0.00 0.00 177.93 179.15 2diy h ALA 123 N 0.38 1.97 0.00 2.45 0.00 -0.97 -2.43 119.26 120.66 2diy h ALA 123 Ca -0.01 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2diy h ALA 123 Cb 0.42 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2diy h ALA 123 CO 0.02 -0.45 -0.26 1.03 0.00 0.00 0.00 179.25 179.59 2diy h SER 124 N 0.47 0.00 -3.37 0.00 0.87 -0.01 -3.48 113.55 108.04 2diy h SER 124 Ca 0.66 -0.45 -0.23 0.00 -1.23 0.00 0.00 61.79 60.54 2diy h SER 124 Cb 1.42 0.00 -0.31 0.00 -0.44 0.00 0.00 62.40 63.07 2diy h SER 124 CO -0.45 0.87 -0.56 -0.44 -0.53 0.00 0.00 176.83 175.72 2diy s SER 125 N -6.02 -0.11 0.68 6.23 0.01 0.83 -5.09 113.70 110.24 2diy s SER 125 Ca -0.13 0.39 -0.02 0.00 1.31 0.00 0.00 55.95 57.49 2diy s SER 125 Cb 0.00 0.28 0.03 0.00 0.21 0.00 0.00 66.02 66.54 2diy s SER 125 CO 0.37 -0.16 0.06 0.61 0.41 0.00 0.00 173.24 174.54 2diy n GLY 126 N 4.31 -2.35 0.00 3.44 0.00 -1.23 -3.58 105.19 105.77 2diy n GLY 126 Ca -0.25 -0.77 0.07 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.40 0.49 -1.13 1.61 -0.04 -1.26 -4.82 135.00 128.45 2diy n PRO 127 Ca 0.01 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.07 2diy n PRO 127 Cb 0.04 -1.44 -0.03 0.00 -0.04 0.00 0.00 33.50 32.03 2diy n PRO 127 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2diy n SER 128 N -0.94 -0.82 -4.22 3.54 3.41 -1.26 -4.89 113.62 108.44 2diy n SER 128 Ca 0.10 0.90 -0.40 0.00 -0.26 0.00 0.00 58.87 59.22 2diy n SER 128 Cb 0.05 -0.75 -0.10 0.00 -0.26 0.00 0.00 64.21 63.15 2diy n SER 128 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2diy s SER 129 N -0.65 5.59 0.00 4.04 0.01 -1.26 -5.17 113.70 116.25 2diy s SER 129 Ca 0.55 -1.72 0.02 0.00 1.31 0.00 0.00 55.95 56.11 2diy s SER 129 Cb -0.79 -1.97 0.01 0.00 0.21 0.00 0.00 66.02 63.49 2diy s SER 129 CO 0.45 -0.59 0.56 0.61 0.41 0.00 0.00 173.24 174.68