#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rdm h LEU 1 N 0.00 0.00 0.00 1.04 3.38 -2.04 -3.33 115.31 114.35 2rdm h LEU 1 Ca 0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 2rdm h LEU 1 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 2rdm h LEU 1 CO 0.00 0.24 -2.00 1.21 0.09 0.00 0.00 178.44 177.98 2rdm n GLU 2 N -3.28 0.66 -4.25 1.13 4.07 -1.26 -5.00 120.64 112.71 2rdm n GLU 2 Ca 0.01 0.06 -0.14 0.00 -0.06 0.00 0.00 57.16 57.03 2rdm n GLU 2 Cb 0.51 -1.63 -0.10 0.00 -0.06 0.00 0.00 31.44 30.16 2rdm n GLU 2 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2rdm s ALA 3 N -2.78 1.43 -0.23 4.31 0.00 -1.25 -5.13 121.76 118.11 2rdm s ALA 3 Ca -0.07 -1.54 -0.11 0.00 0.00 0.00 0.00 51.96 50.24 2rdm s ALA 3 Cb 0.08 0.24 -0.05 0.00 0.00 0.00 0.00 23.12 23.40 2rdm s ALA 3 CO 0.84 -0.19 0.17 0.08 0.00 0.00 0.00 175.76 176.66 2rdm s VAL 4 N -3.45 5.36 -0.20 0.00 1.01 -1.26 -4.05 120.40 117.81 2rdm s VAL 4 Ca 0.20 0.21 -0.08 0.00 0.00 0.00 0.00 61.98 62.31 2rdm s VAL 4 Cb 0.04 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 2rdm s VAL 4 CO 0.02 0.37 0.08 -0.89 0.00 0.00 0.00 175.10 174.68 2rdm s THR 5 N 0.88 4.83 -0.18 3.92 2.01 -1.26 -0.77 115.64 125.07 2rdm s THR 5 Ca 0.08 -0.01 -0.03 0.00 0.31 0.00 0.00 61.69 62.04 2rdm s THR 5 Cb -0.13 -3.20 -0.02 0.00 0.01 0.00 0.00 72.50 69.16 2rdm s THR 5 CO 0.03 0.42 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.69 2rdm s ILE 6 N 0.71 3.46 -0.22 1.82 -1.09 0.55 -0.87 121.20 125.56 2rdm s ILE 6 Ca 0.04 -0.49 -0.26 0.00 -2.23 0.00 0.00 60.65 57.72 2rdm s ILE 6 Cb -0.13 -2.53 -0.00 0.00 -1.58 0.00 0.00 42.46 38.21 2rdm s ILE 6 CO 0.02 0.47 0.87 -0.22 -1.23 0.00 0.00 174.94 174.84 2rdm s LEU 7 N 0.86 4.10 -0.19 2.97 2.96 -0.47 -0.97 118.68 127.94 2rdm s LEU 7 Ca -0.01 1.13 -0.01 0.00 -0.22 0.00 0.00 54.13 55.01 2rdm s LEU 7 Cb -0.15 -3.27 0.00 0.00 0.50 0.00 0.00 46.19 43.28 2rdm s LEU 7 CO 0.01 -0.52 -0.12 -0.22 -1.32 0.00 0.00 176.35 174.18 2rdm s LEU 8 N 2.76 2.53 -0.30 -0.68 2.96 -0.21 -0.64 118.68 125.10 2rdm s LEU 8 Ca 0.37 -0.51 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 2rdm s LEU 8 Cb -0.15 -1.61 0.08 0.00 0.50 0.00 0.00 46.19 45.00 2rdm s LEU 8 CO 0.08 0.00 -0.02 0.00 -1.32 0.00 0.00 176.35 175.09 2rdm s ALA 9 N 1.31 2.75 -0.09 5.97 0.00 -0.05 -0.24 121.76 131.41 2rdm s ALA 9 Ca 0.04 -2.09 -0.06 0.00 0.00 0.00 0.00 51.96 49.84 2rdm s ALA 9 Cb -0.14 -1.81 0.03 0.00 0.00 0.00 0.00 23.12 21.20 2rdm s ALA 9 CO -0.07 -1.42 0.22 0.34 0.00 0.00 0.00 175.76 174.83 2rdm s ASP 10 N 1.09 -0.23 0.05 0.00 -1.08 -0.69 -1.24 116.67 114.56 2rdm s ASP 10 Ca -0.00 0.45 -0.31 0.00 -0.52 0.00 0.00 52.55 52.17 2rdm s ASP 10 Cb -0.20 0.41 -0.18 0.00 -1.46 0.00 0.00 42.92 41.50 2rdm s ASP 10 CO -0.06 -0.11 1.44 0.44 0.52 0.00 0.00 175.17 177.41 2rdm h ASP 11 N 6.32 -0.74 -3.57 -0.34 3.32 -1.84 -3.38 116.42 116.19 2rdm h ASP 11 Ca -0.31 -0.01 -0.52 0.00 0.02 0.00 0.00 57.03 56.21 2rdm h ASP 11 Cb 1.18 0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.89 2rdm h ASP 11 CO 0.38 -0.45 0.12 -1.83 -1.72 0.00 0.00 179.24 175.74 2rdm s GLU 12 N -5.50 4.28 0.13 3.56 -1.05 -1.26 -4.95 118.70 113.92 2rdm s GLU 12 Ca -0.16 0.90 -0.16 0.00 -0.15 0.00 0.00 54.97 55.39 2rdm s GLU 12 Cb 0.03 -2.91 -0.01 0.00 -0.44 0.00 0.00 34.13 30.80 2rdm s GLU 12 CO 0.56 0.41 1.72 0.00 0.95 0.00 0.00 175.26 178.90 2rdm h ALA 13 N 3.48 0.49 -0.54 -0.84 0.00 -2.00 -1.63 119.26 118.22 2rdm h ALA 13 Ca -0.48 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.36 2rdm h ALA 13 Cb 1.19 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 2rdm h ALA 13 CO 0.65 0.04 0.33 -0.84 0.00 0.00 0.00 179.25 179.43 2rdm h ILE 14 N 0.47 1.06 0.11 0.00 3.07 -2.00 -2.76 117.51 117.46 2rdm h ILE 14 Ca 0.13 -0.22 -0.23 0.00 1.55 0.00 0.00 64.86 66.09 2rdm h ILE 14 Cb 0.10 0.35 0.02 0.00 -0.27 0.00 0.00 36.82 37.03 2rdm h ILE 14 CO -0.02 0.12 -0.96 -0.07 -1.05 0.00 0.00 178.15 176.17 2rdm h LEU 15 N 0.65 0.67 -0.45 0.16 3.38 -1.96 -2.29 115.31 115.47 2rdm h LEU 15 Ca 0.22 -0.85 0.07 0.00 0.09 0.00 0.00 57.88 57.40 2rdm h LEU 15 Cb 0.02 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.50 2rdm h LEU 15 CO -0.10 1.45 0.10 0.25 0.09 0.00 0.00 178.44 180.24 2rdm h LEU 16 N -0.03 0.04 -1.00 1.67 5.85 -1.32 0.53 115.31 121.05 2rdm h LEU 16 Ca -0.15 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.54 2rdm h LEU 16 Cb 1.70 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.80 2rdm h LEU 16 CO 0.18 0.05 -0.39 -0.07 -0.34 0.00 0.00 178.44 177.88 2rdm h LEU 17 N 0.24 0.23 0.14 2.25 -0.00 -1.56 0.22 115.31 116.83 2rdm h LEU 17 Ca 0.22 -0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 58.00 2rdm h LEU 17 Cb 0.26 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.86 2rdm h LEU 17 CO -0.27 0.60 -0.07 -0.78 -0.00 0.00 0.00 178.44 177.92 2rdm h ASP 18 N 0.19 -0.16 -0.67 -0.43 3.58 -0.73 -1.34 116.42 116.86 2rdm h ASP 18 Ca 0.02 -0.29 -0.07 0.00 0.42 0.00 0.00 57.03 57.11 2rdm h ASP 18 Cb 0.77 0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.84 2rdm h ASP 18 CO 0.06 0.22 0.16 -0.26 -2.88 0.00 0.00 179.24 176.54 2rdm h PHE 19 N -0.57 1.12 -0.09 0.28 0.04 0.08 -2.19 116.94 115.61 2rdm h PHE 19 Ca -0.02 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.62 2rdm h PHE 19 Cb 0.44 -0.32 -0.00 0.00 2.20 0.00 0.00 35.95 38.27 2rdm h PHE 19 CO 0.04 0.93 0.06 1.49 -0.60 0.00 0.00 178.31 180.23 2rdm h GLU 20 N 1.00 0.12 -0.22 1.51 4.81 -0.58 -1.39 114.58 119.82 2rdm h GLU 20 Ca 0.21 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.30 2rdm h GLU 20 Cb 0.37 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2rdm h GLU 20 CO 0.00 0.09 -0.40 0.66 -0.73 0.00 0.00 179.01 178.64 2rdm h SER 21 N 0.11 0.55 -0.28 1.04 4.64 -1.22 -0.19 113.55 118.19 2rdm h SER 21 Ca 0.03 -0.24 0.05 0.00 -0.47 0.00 0.00 61.79 61.16 2rdm h SER 21 Cb 0.00 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 61.89 2rdm h SER 21 CO -0.01 0.89 0.00 0.74 -0.87 0.00 0.00 176.83 177.58 2rdm h THR 22 N 0.43 0.80 -0.37 2.95 2.02 -1.24 -0.31 112.91 117.18 2rdm h THR 22 Ca 0.04 -0.03 -0.15 0.00 0.77 0.00 0.00 66.41 67.04 2rdm h THR 22 Cb 0.88 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 2rdm h THR 22 CO 0.08 0.02 -0.37 -0.07 0.37 0.00 0.00 175.52 175.54 2rdm h LEU 23 N 0.09 0.93 -0.83 2.58 3.38 -0.95 -2.78 115.31 117.73 2rdm h LEU 23 Ca 0.13 -0.41 -0.11 0.00 0.09 0.00 0.00 57.88 57.58 2rdm h LEU 23 Cb 0.18 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2rdm h LEU 23 CO -0.23 1.19 -0.35 0.71 0.09 0.00 0.00 178.44 179.86 2rdm h THR 24 N 0.72 1.29 -0.51 0.22 1.35 -0.90 -1.76 112.91 113.32 2rdm h THR 24 Ca 0.06 -1.45 -0.01 0.00 -0.55 0.00 0.00 66.41 64.47 2rdm h THR 24 Cb 0.94 1.51 -0.03 0.00 -1.73 0.00 0.00 68.15 68.84 2rdm h THR 24 CO 0.09 0.45 0.28 0.44 -0.25 0.00 0.00 175.52 176.53 2rdm h ASP 25 N 0.39 0.62 0.33 5.36 3.32 -0.98 -2.29 116.42 123.17 2rdm h ASP 25 Ca 0.04 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2rdm h ASP 25 Cb 0.80 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.19 2rdm h ASP 25 CO 0.06 0.50 0.00 0.00 -1.72 0.00 0.00 179.24 178.08 2rdm n ALA 26 N -2.46 2.52 0.00 3.45 0.00 -1.05 -4.89 120.51 118.07 2rdm n ALA 26 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2rdm n ALA 26 Cb 0.10 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.06 2rdm n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rdm n GLY 27 N 1.08 0.77 3.83 0.00 0.00 -0.86 -5.09 105.19 104.91 2rdm n GLY 27 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2rdm n GLY 27 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2rdm s PHE 28 N -2.00 3.57 0.21 1.61 0.08 -0.68 -4.63 117.98 116.13 2rdm s PHE 28 Ca 0.00 1.25 -0.29 0.00 0.12 0.00 0.00 56.93 58.01 2rdm s PHE 28 Cb 0.00 -2.52 -0.08 0.00 -0.57 0.00 0.00 43.02 39.84 2rdm s PHE 28 CO 0.00 0.30 0.91 -0.51 -0.10 0.00 0.00 175.22 175.82 2rdm s LEU 29 N -2.24 4.62 -0.13 -0.37 1.43 0.05 -3.92 118.68 118.12 2rdm s LEU 29 Ca 0.44 1.87 0.02 0.00 -1.03 0.00 0.00 54.13 55.43 2rdm s LEU 29 Cb -0.15 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.55 2rdm s LEU 29 CO 0.20 0.15 -0.19 -0.69 0.23 0.00 0.00 176.35 176.05 2rdm s VAL 30 N -1.04 1.79 -0.47 -1.59 1.01 -1.26 -0.33 120.40 118.51 2rdm s VAL 30 Ca 0.40 -0.81 -0.15 0.00 0.00 0.00 0.00 61.98 61.42 2rdm s VAL 30 Cb -0.25 -1.60 0.07 0.00 0.00 0.00 0.00 36.38 34.60 2rdm s VAL 30 CO 0.31 0.50 0.38 -0.89 0.00 0.00 0.00 175.10 175.39 2rdm s THR 31 N 0.91 5.18 -0.22 3.92 2.01 -0.15 -4.96 115.64 122.33 2rdm s THR 31 Ca -0.07 -1.05 -0.13 0.00 0.31 0.00 0.00 61.69 60.75 2rdm s THR 31 Cb -0.15 -4.08 -0.05 0.00 0.01 0.00 0.00 72.50 68.23 2rdm s THR 31 CO -0.02 -0.56 0.26 0.00 -0.69 0.00 0.00 174.62 173.61 2rdm s ALA 32 N 1.63 3.59 0.16 7.40 0.00 -1.26 -1.04 121.76 132.23 2rdm s ALA 32 Ca 0.04 -0.74 0.06 0.00 0.00 0.00 0.00 51.96 51.32 2rdm s ALA 32 Cb -0.24 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.39 2rdm s ALA 32 CO 0.07 -0.24 -0.13 0.14 0.00 0.00 0.00 175.76 175.59 2rdm s VAL 33 N 1.17 1.43 -1.41 0.00 -7.23 0.67 -4.97 120.40 110.05 2rdm s VAL 33 Ca 0.12 -1.98 0.14 0.00 -1.81 0.00 0.00 61.98 58.45 2rdm s VAL 33 Cb -0.14 -1.80 0.33 0.00 0.56 0.00 0.00 36.38 35.33 2rdm s VAL 33 CO 0.06 -0.57 1.24 -1.54 -0.31 0.00 0.00 175.10 173.98 2rdm n SER 34 N 0.02 2.96 -3.77 4.85 3.41 -1.26 -1.71 113.62 118.12 2rdm n SER 34 Ca -0.11 -1.89 -0.09 0.00 -0.26 0.00 0.00 58.87 56.51 2rdm n SER 34 Cb 0.59 -0.22 -0.06 0.00 -0.26 0.00 0.00 64.21 64.26 2rdm n SER 34 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2rdm s SER 35 N -1.07 -0.03 0.22 4.04 1.04 -1.26 -4.17 113.70 112.46 2rdm s SER 35 Ca 0.27 -0.52 -0.08 0.00 0.48 0.00 0.00 55.95 56.10 2rdm s SER 35 Cb 0.15 0.40 0.18 0.00 0.10 0.00 0.00 66.02 66.86 2rdm s SER 35 CO 0.20 -0.79 1.84 1.23 0.98 0.00 0.00 173.24 176.70 2rdm h GLY 36 N 2.57 1.26 0.94 7.32 0.00 -1.87 -1.38 103.07 111.91 2rdm h GLY 36 Ca -0.34 -0.58 0.02 0.00 0.00 0.00 0.00 47.33 46.43 2rdm h GLY 36 CO 0.52 0.55 0.44 0.00 0.00 0.00 0.00 176.54 178.05 2rdm h ALA 37 N 1.24 0.88 -0.41 3.60 0.00 -1.88 -0.54 119.26 122.16 2rdm h ALA 37 Ca 0.29 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 2rdm h ALA 37 Cb 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2rdm h ALA 37 CO -0.05 0.25 -0.31 0.87 0.00 0.00 0.00 179.25 180.01 2rdm h LYS 38 N 0.89 0.92 -0.48 0.00 1.57 -1.93 -1.88 116.57 115.66 2rdm h LYS 38 Ca 0.26 -0.44 0.01 0.00 -1.87 0.00 0.00 60.65 58.62 2rdm h LYS 38 Cb -0.05 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 2rdm h LYS 38 CO -0.08 1.10 0.30 0.00 -0.57 0.00 0.00 179.45 180.20 2rdm h ALA 39 N 0.86 0.61 -0.56 3.86 0.00 -0.87 -3.01 119.26 120.16 2rdm h ALA 39 Ca 0.08 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2rdm h ALA 39 Cb 0.89 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2rdm h ALA 39 CO 0.08 0.02 0.14 0.82 0.00 0.00 0.00 179.25 180.31 2rdm h ILE 40 N 0.61 1.25 0.00 0.00 2.04 -1.00 -0.67 117.51 119.74 2rdm h ILE 40 Ca 0.19 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.17 2rdm h ILE 40 Cb -0.03 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 2rdm h ILE 40 CO -0.06 0.33 0.00 1.21 0.00 0.00 0.00 178.15 179.62 2rdm n GLU 41 N -4.39 0.00 0.00 2.37 2.13 -0.72 -0.69 120.64 119.34 2rdm n GLU 41 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 2rdm n GLU 41 Cb 0.23 -0.92 0.00 0.00 0.27 0.00 0.00 31.44 31.02 2rdm n GLU 41 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2rdm n LEU 43 N 0.42 0.00 -0.00 4.31 4.77 -0.26 -1.45 117.00 124.80 2rdm n LEU 43 Ca 0.00 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.12 2rdm n LEU 43 Cb 0.00 0.00 0.65 0.00 -2.33 0.00 0.00 43.42 41.74 2rdm n LEU 43 CO 0.00 0.00 0.97 0.29 -1.33 0.00 0.00 177.39 177.32 2rdm n LYS 44 N 0.00 0.11 0.15 3.23 5.02 0.13 -3.65 118.16 123.15 2rdm n LYS 44 Ca 0.00 -0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.42 2rdm n LYS 44 Cb 0.00 -1.50 0.41 0.00 -0.02 0.00 0.00 35.03 33.92 2rdm n LYS 44 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2rdm h SER 45 N 0.00 0.00 0.00 4.39 4.64 -1.50 -3.46 113.55 117.62 2rdm h SER 45 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2rdm h SER 45 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2rdm h SER 45 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2rdm n GLY 46 N 0.84 0.74 3.75 -0.77 0.00 -1.24 -5.06 105.19 103.46 2rdm n GLY 46 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 2rdm n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rdm n ALA 47 N -0.63 1.84 -2.13 4.61 0.00 -1.26 -4.90 120.51 118.04 2rdm n ALA 47 Ca 0.00 0.20 -0.41 0.00 0.00 0.00 0.00 53.44 53.23 2rdm n ALA 47 Cb 0.00 -2.38 -0.03 0.00 0.00 0.00 0.00 19.45 17.05 2rdm n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rdm s ALA 48 N -1.23 2.59 -0.16 0.00 0.00 -1.26 -4.95 121.76 116.76 2rdm s ALA 48 Ca 0.65 -0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.29 2rdm s ALA 48 Cb -0.44 -4.14 0.02 0.00 0.00 0.00 0.00 23.12 18.56 2rdm s ALA 48 CO 0.54 -3.18 -0.20 0.42 0.00 0.00 0.00 175.76 173.34 2rdm s ILE 49 N 7.45 2.01 -0.48 0.00 1.01 -1.26 -4.70 121.20 125.23 2rdm s ILE 49 Ca 0.67 -0.93 0.22 0.00 0.00 0.00 0.00 60.65 60.61 2rdm s ILE 49 Cb -0.15 -1.80 -0.26 0.00 0.01 0.00 0.00 42.46 40.25 2rdm s ILE 49 CO 0.27 0.54 0.72 0.47 0.00 0.00 0.00 174.94 176.93 2rdm n ASP 50 N 4.37 0.48 -3.56 3.58 8.00 -0.05 -5.00 116.55 124.36 2rdm n ASP 50 Ca -0.20 -0.41 -0.07 0.00 0.71 0.00 0.00 54.79 54.82 2rdm n ASP 50 Cb 0.51 1.44 -0.02 0.00 -0.02 0.00 0.00 41.12 43.02 2rdm n ASP 50 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2rdm s GLY 51 N -3.82 -0.41 -0.07 0.44 0.00 -1.13 -4.30 107.32 98.03 2rdm s GLY 51 Ca -0.00 0.85 -0.00 0.00 0.00 0.00 0.00 44.72 45.56 2rdm s GLY 51 CO 0.88 0.27 -0.03 0.14 0.00 0.00 0.00 173.10 174.36 2rdm s VAL 52 N -3.12 0.55 -0.27 1.40 1.01 -0.40 -1.37 120.40 118.21 2rdm s VAL 52 Ca 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 2rdm s VAL 52 Cb -0.01 -0.63 0.04 0.00 0.00 0.00 0.00 36.38 35.78 2rdm s VAL 52 CO -0.07 0.26 -0.05 -0.69 0.00 0.00 0.00 175.10 174.55 2rdm s VAL 53 N 1.46 2.76 -0.01 2.92 1.01 0.19 -1.11 120.40 127.62 2rdm s VAL 53 Ca -0.02 -1.25 0.02 0.00 0.00 0.00 0.00 61.98 60.73 2rdm s VAL 53 Cb -0.13 -2.50 -0.00 0.00 0.00 0.00 0.00 36.38 33.75 2rdm s VAL 53 CO -0.03 0.07 -0.07 0.28 0.00 0.00 0.00 175.10 175.34 2rdm s THR 54 N 1.26 0.59 0.87 3.92 -1.32 -0.35 -0.87 115.64 119.73 2rdm s THR 54 Ca -0.03 -0.31 -0.12 0.00 -1.21 0.00 0.00 61.69 60.02 2rdm s THR 54 Cb -0.18 -0.50 0.11 0.00 -1.51 0.00 0.00 72.50 70.42 2rdm s THR 54 CO -0.04 0.17 1.15 0.47 -2.21 0.00 0.00 174.62 174.16 2rdm n ASP 55 N 2.96 0.59 -0.04 8.08 9.92 -0.37 -0.07 116.55 137.62 2rdm n ASP 55 Ca -0.14 0.50 -0.17 0.00 -0.53 0.00 0.00 54.79 54.45 2rdm n ASP 55 Cb 0.57 -1.48 -0.13 0.00 -0.64 0.00 0.00 41.12 39.43 2rdm n ASP 55 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 2rdm h ILE 56 N -1.42 1.55 -3.34 0.53 1.08 -1.75 -3.25 117.51 110.92 2rdm h ILE 56 Ca -0.45 -2.38 -0.65 0.00 -0.39 0.00 0.00 64.86 60.99 2rdm h ILE 56 Cb 1.28 3.15 -0.19 0.00 -3.07 0.00 0.00 36.82 37.99 2rdm h ILE 56 CO 0.43 0.61 -0.65 -0.13 -0.69 0.00 0.00 178.15 177.72 2rdm s ARG 57 N -2.31 3.47 0.53 2.37 0.52 -1.26 -0.64 118.95 121.63 2rdm s ARG 57 Ca -0.19 -0.48 0.03 0.00 -0.52 0.00 0.00 55.73 54.57 2rdm s ARG 57 Cb -0.00 -2.89 0.03 0.00 0.52 0.00 0.00 34.95 32.60 2rdm s ARG 57 CO 0.72 0.39 0.22 1.19 0.02 0.00 0.00 175.30 177.84 2rdm n PHE 58 N 3.10 0.20 -0.29 -0.53 3.72 -1.26 -4.85 117.46 117.55 2rdm n PHE 58 Ca -0.18 -2.39 -0.04 0.00 -0.05 0.00 0.00 57.45 54.80 2rdm n PHE 58 Cb 0.53 -0.39 0.07 0.00 -0.94 0.00 0.00 39.48 38.75 2rdm n PHE 58 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2rdm s GLN 60 N -6.13 0.91 0.79 0.00 -0.21 -1.26 -5.15 119.66 108.60 2rdm s GLN 60 Ca -0.13 -1.21 -0.14 0.00 0.02 0.00 0.00 55.36 53.90 2rdm s GLN 60 Cb 0.16 -0.62 0.06 0.00 1.00 0.00 0.00 33.01 33.61 2rdm s GLN 60 CO 0.79 0.10 1.12 -2.30 -2.12 0.00 0.00 175.29 172.88 2rdm n PRO 61 N 0.47 0.26 -2.44 2.91 -0.02 -1.26 -4.62 135.00 130.30 2rdm n PRO 61 Ca -0.15 0.16 -0.38 0.00 -2.02 0.00 0.00 63.50 61.11 2rdm n PRO 61 Cb 0.58 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 2rdm n PRO 61 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2rdm s PRO 62 N -3.91 4.22 0.90 0.52 0.04 -1.26 -4.82 135.00 130.69 2rdm s PRO 62 Ca 0.73 1.68 -0.12 0.00 0.04 0.00 0.00 61.00 63.33 2rdm s PRO 62 Cb -0.30 -2.72 0.18 0.00 0.04 0.00 0.00 34.50 31.69 2rdm s PRO 62 CO 0.51 -0.13 1.24 0.16 0.04 0.00 0.00 177.00 178.81 2rdm s ASP 63 N -1.28 3.49 0.42 6.66 1.47 -1.26 -4.17 116.67 122.00 2rdm s ASP 63 Ca 0.55 0.14 0.16 0.00 1.18 0.00 0.00 52.55 54.58 2rdm s ASP 63 Cb -0.27 -0.29 0.94 0.00 -0.34 0.00 0.00 42.92 42.96 2rdm s ASP 63 CO 0.34 -2.48 1.92 1.23 0.68 0.00 0.00 175.17 176.86 2rdm h GLY 64 N -1.34 0.00 1.01 2.12 0.00 -0.91 -1.85 103.07 102.10 2rdm h GLY 64 Ca -0.43 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 2rdm h GLY 64 CO 0.40 0.00 0.44 1.49 0.00 0.00 0.00 176.54 178.86 2rdm h TRP 65 N 0.00 0.96 -0.29 5.60 -0.00 -1.83 -1.85 115.95 118.54 2rdm h TRP 65 Ca -0.00 -0.00 -0.14 0.00 -0.00 0.00 0.00 58.89 58.74 2rdm h TRP 65 Cb 0.51 -0.32 -0.01 0.00 -0.00 0.00 0.00 29.16 29.35 2rdm h TRP 65 CO 0.00 0.65 -0.41 1.96 -0.00 0.00 0.00 178.44 180.64 2rdm h GLN 66 N 0.99 0.69 -0.41 0.49 4.20 -1.79 -2.63 115.11 116.65 2rdm h GLN 66 Ca 0.26 -0.36 0.04 0.00 0.06 0.00 0.00 58.65 58.65 2rdm h GLN 66 Cb -0.03 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.72 2rdm h GLN 66 CO -0.05 0.98 0.17 0.28 -0.67 0.00 0.00 178.83 179.54 2rdm h VAL 67 N 0.57 0.92 -0.52 -0.54 2.07 -1.05 -1.96 116.25 115.73 2rdm h VAL 67 Ca 0.04 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 2rdm h VAL 67 Cb 0.95 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 2rdm h VAL 67 CO 0.09 0.07 0.07 0.00 0.02 0.00 0.00 177.57 177.81 2rdm h ALA 68 N 1.25 1.15 -0.37 1.67 0.00 -1.19 -1.24 119.26 120.54 2rdm h ALA 68 Ca 0.19 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2rdm h ALA 68 Cb 0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2rdm h ALA 68 CO -0.16 0.56 0.17 0.00 0.00 0.00 0.00 179.25 179.81 2rdm h ARG 69 N 0.78 0.54 -0.32 0.00 3.08 -1.11 -0.68 114.38 116.67 2rdm h ARG 69 Ca 0.16 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 2rdm h ARG 69 Cb 0.37 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 2rdm h ARG 69 CO 0.01 0.50 0.20 0.28 -1.07 0.00 0.00 179.97 179.89 2rdm h VAL 70 N 0.45 1.10 -0.84 2.04 2.07 -1.09 -0.65 116.25 119.34 2rdm h VAL 70 Ca 0.13 -0.23 0.09 0.00 0.82 0.00 0.00 66.70 67.51 2rdm h VAL 70 Cb 0.14 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 30.52 2rdm h VAL 70 CO -0.01 0.10 0.49 0.00 0.02 0.00 0.00 177.57 178.16 2rdm h ALA 71 N 1.09 1.20 0.00 1.67 0.00 -0.99 -2.14 119.26 120.09 2rdm h ALA 71 Ca 0.12 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 2rdm h ALA 71 Cb -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2rdm h ALA 71 CO -0.02 0.12 -0.47 0.00 0.00 0.00 0.00 179.25 178.87 2rdm h ARG 72 N 0.81 0.00 -0.64 0.00 2.47 -0.71 0.45 114.38 116.76 2rdm h ARG 72 Ca 0.40 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 59.09 2rdm h ARG 72 Cb 0.36 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.65 2rdm h ARG 72 CO -0.24 0.47 0.28 0.93 0.56 0.00 0.00 179.97 181.97 2rdm h GLU 73 N 0.00 0.94 -0.16 0.04 5.08 -0.57 -2.57 114.58 117.35 2rdm h GLU 73 Ca -0.00 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.12 2rdm h GLU 73 Cb 1.16 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 2rdm h GLU 73 CO 0.06 0.77 -0.23 0.82 -1.00 0.00 0.00 179.01 179.44 2rdm h ILE 74 N 0.89 1.35 -2.69 3.13 2.04 -1.14 -3.42 117.51 117.67 2rdm h ILE 74 Ca 0.22 -1.44 -0.40 0.00 1.00 0.00 0.00 64.86 64.23 2rdm h ILE 74 Cb 0.16 1.90 -0.38 0.00 -0.74 0.00 0.00 36.82 37.77 2rdm h ILE 74 CO -0.02 0.43 -0.70 -0.62 0.00 0.00 0.00 178.15 177.24 2rdm s ASP 75 N -6.30 2.12 0.66 1.72 2.15 0.13 -5.02 116.67 112.12 2rdm s ASP 75 Ca -0.14 -0.61 0.42 0.00 0.43 0.00 0.00 52.55 52.66 2rdm s ASP 75 Cb 0.06 0.06 2.33 0.00 -0.30 0.00 0.00 42.92 45.08 2rdm s ASP 75 CO 0.78 -0.36 2.35 1.55 -0.17 0.00 0.00 175.17 179.32 2rdm h PRO 76 N 8.36 0.00 -5.43 4.34 0.13 -1.70 -3.35 132.00 134.35 2rdm h PRO 76 Ca -0.16 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.34 2rdm h PRO 76 Cb 1.12 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.15 2rdm h PRO 76 CO 0.32 0.00 -0.46 -0.80 -0.23 0.00 0.00 178.00 176.83 2rdm s ASN 77 N -5.32 6.31 -0.14 1.44 0.02 -1.26 -4.98 114.94 111.01 2rdm s ASN 77 Ca -0.05 0.35 0.01 0.00 -1.02 0.00 0.00 52.86 52.15 2rdm s ASN 77 Cb 0.13 -2.10 -0.01 0.00 0.02 0.00 0.00 41.25 39.30 2rdm s ASN 77 CO 0.43 0.25 -0.16 -2.84 0.02 0.00 0.00 177.10 174.81 2rdm s PRO 79 N -0.11 3.25 -0.11 -0.60 0.02 -1.26 -4.92 135.00 131.26 2rdm s PRO 79 Ca 0.11 -0.75 -0.00 0.00 0.02 0.00 0.00 61.00 60.38 2rdm s PRO 79 Cb -0.12 -2.59 0.03 0.00 0.02 0.00 0.00 34.50 31.84 2rdm s PRO 79 CO 0.01 0.10 -0.07 0.42 -0.33 0.00 0.00 177.00 177.12 2rdm s ILE 80 N 0.62 1.00 -0.16 2.83 -1.09 -1.26 -1.27 121.20 121.86 2rdm s ILE 80 Ca -0.09 -0.28 0.01 0.00 -2.23 0.00 0.00 60.65 58.07 2rdm s ILE 80 Cb -0.16 -1.03 0.01 0.00 -1.58 0.00 0.00 42.46 39.70 2rdm s ILE 80 CO 0.03 0.36 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.21 2rdm s VAL 81 N 1.72 2.17 0.04 2.92 1.01 -0.27 -1.96 120.40 126.03 2rdm s VAL 81 Ca 0.05 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 60.97 2rdm s VAL 81 Cb -0.13 -1.90 -0.06 0.00 0.00 0.00 0.00 36.38 34.30 2rdm s VAL 81 CO -0.08 0.54 0.42 -0.31 0.00 0.00 0.00 175.10 175.67 2rdm s TYR 82 N 1.08 3.69 -0.06 5.22 2.02 -0.02 -1.22 117.35 128.06 2rdm s TYR 82 Ca -0.00 0.96 -0.02 0.00 -0.37 0.00 0.00 57.07 57.64 2rdm s TYR 82 Cb -0.14 -2.27 -0.04 0.00 -0.40 0.00 0.00 41.96 39.11 2rdm s TYR 82 CO -0.07 0.59 0.04 0.42 -1.57 0.00 0.00 175.55 174.96 2rdm s ILE 83 N -1.19 4.55 -0.00 2.71 1.01 0.89 -0.75 121.20 128.42 2rdm s ILE 83 Ca 0.27 -0.27 -0.17 0.00 0.00 0.00 0.00 60.65 60.49 2rdm s ILE 83 Cb -0.16 -2.98 0.03 0.00 0.01 0.00 0.00 42.46 39.36 2rdm s ILE 83 CO 0.15 0.52 0.36 -0.94 0.00 0.00 0.00 174.94 175.03 2rdm s SER 84 N -1.18 -0.24 -0.10 3.58 1.04 -0.61 -1.93 113.70 114.25 2rdm s SER 84 Ca 0.16 0.09 -0.06 0.00 0.48 0.00 0.00 55.95 56.62 2rdm s SER 84 Cb -0.12 0.35 -0.05 0.00 0.10 0.00 0.00 66.02 66.31 2rdm s SER 84 CO 0.06 -0.52 0.20 1.23 0.98 0.00 0.00 173.24 175.19 2rdm h GLY 85 N 3.57 -0.05 0.00 7.32 0.00 -1.92 -1.28 103.07 110.71 2rdm h GLY 85 Ca -0.30 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2rdm h GLY 85 CO 0.41 -0.02 0.00 1.42 0.00 0.00 0.00 176.54 178.36 2rdm n HIS 86 N -4.78 0.00 -2.78 5.60 8.25 -1.26 -4.05 115.22 116.20 2rdm n HIS 86 Ca -0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.01 2rdm n HIS 86 Cb 0.10 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.17 2rdm n HIS 86 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2rdm s ALA 87 N -2.50 3.18 -0.58 -1.41 0.00 -1.26 -4.81 121.76 114.38 2rdm s ALA 87 Ca 0.00 -0.89 0.18 0.00 0.00 0.00 0.00 51.96 51.25 2rdm s ALA 87 Cb 0.00 -3.73 -0.22 0.00 0.00 0.00 0.00 23.12 19.18 2rdm s ALA 87 CO 0.00 -2.22 0.64 0.00 0.00 0.00 0.00 175.76 174.18 2rdm n ALA 88 N 7.43 3.80 0.27 0.00 0.00 -1.26 -4.34 120.51 126.41 2rdm n ALA 88 Ca 0.06 -0.48 0.16 0.00 0.00 0.00 0.00 53.44 53.18 2rdm n ALA 88 Cb 0.48 -0.63 0.67 0.00 0.00 0.00 0.00 19.45 19.97 2rdm n ALA 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2rdm h LEU 89 N 0.00 0.00 -2.23 0.00 5.85 -2.04 -1.41 115.31 115.48 2rdm h LEU 89 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2rdm h LEU 89 Cb 0.54 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 2rdm h LEU 89 CO 0.00 0.04 -0.04 -0.33 -0.34 0.00 0.00 178.44 177.77 2rdm h GLU 90 N 0.00 0.00 -0.57 1.25 5.08 -1.99 -2.57 114.58 115.78 2rdm h GLU 90 Ca -0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2rdm h GLU 90 Cb 0.52 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 2rdm h GLU 90 CO 0.01 0.04 0.38 2.35 -1.00 0.00 0.00 179.01 180.79 2rdm h TRP 91 N 0.00 0.70 0.00 4.33 7.01 -1.54 -0.53 115.95 125.91 2rdm h TRP 91 Ca -0.00 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 2rdm h TRP 91 Cb 0.23 -0.24 -0.00 0.00 -2.10 0.00 0.00 29.16 27.05 2rdm h TRP 91 CO 0.00 0.43 -0.03 0.00 -2.79 0.00 0.00 178.44 176.05 2rdm h ALA 92 N 1.65 1.72 0.00 2.65 0.00 -1.64 0.11 119.26 123.76 2rdm h ALA 92 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2rdm h ALA 92 Cb -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2rdm h ALA 92 CO -0.05 0.03 -1.23 -1.13 0.00 0.00 0.00 179.25 176.87 2rdm n SER 93 N -4.17 1.45 0.00 0.00 3.41 -1.01 -4.79 113.62 108.51 2rdm n SER 93 Ca -0.03 -0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.28 2rdm n SER 93 Cb 0.11 1.38 0.00 0.00 -0.26 0.00 0.00 64.21 65.44 2rdm n SER 93 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2rdm n ASN 94 N -1.72 4.63 -4.77 4.04 3.02 -0.24 -5.06 115.26 115.17 2rdm n ASN 94 Ca -0.01 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.21 2rdm n ASN 94 Cb 0.29 0.84 0.04 0.00 -0.61 0.00 0.00 39.78 40.34 2rdm n ASN 94 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2rdm s GLY 95 N -2.04 2.24 0.47 7.41 0.00 0.00 -4.92 107.32 110.49 2rdm s GLY 95 Ca 0.00 0.61 -0.07 0.00 0.00 0.00 0.00 44.72 45.26 2rdm s GLY 95 CO 0.00 0.97 0.81 -1.34 0.00 0.00 0.00 173.10 173.54 2rdm s VAL 96 N -2.23 4.85 0.56 1.40 -7.23 -1.26 -4.97 120.40 111.52 2rdm s VAL 96 Ca 0.68 0.39 -0.21 0.00 -1.81 0.00 0.00 61.98 61.03 2rdm s VAL 96 Cb -0.22 -3.83 -0.04 0.00 0.56 0.00 0.00 36.38 32.85 2rdm s VAL 96 CO 0.40 -0.79 1.37 -2.84 -0.31 0.00 0.00 175.10 172.92 2rdm s PRO 97 N -4.53 3.07 -1.87 4.82 0.02 -1.26 -2.79 135.00 132.46 2rdm s PRO 97 Ca 0.49 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.76 2rdm s PRO 97 Cb -0.10 -2.22 0.00 0.00 0.02 0.00 0.00 34.50 32.19 2rdm s PRO 97 CO 0.42 -1.25 0.00 -0.25 -0.33 0.00 0.00 177.00 175.59 2rdm n ASP 98 N -1.11 -5.13 -4.93 2.53 8.00 -1.26 -5.01 116.55 109.63 2rdm n ASP 98 Ca 0.11 0.44 -0.25 0.00 0.71 0.00 0.00 54.79 55.79 2rdm n ASP 98 Cb 0.45 -4.18 0.04 0.00 -0.02 0.00 0.00 41.12 37.40 2rdm n ASP 98 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2rdm s SER 99 N -2.81 5.39 -0.06 -2.24 1.04 -1.12 -4.75 113.70 109.16 2rdm s SER 99 Ca 0.00 0.49 0.06 0.00 0.48 0.00 0.00 55.95 56.98 2rdm s SER 99 Cb 0.00 -1.42 -0.01 0.00 0.10 0.00 0.00 66.02 64.69 2rdm s SER 99 CO 0.00 -1.15 -0.24 -0.63 0.98 0.00 0.00 173.24 172.19 2rdm s ILE 100 N -2.96 2.00 -0.14 -1.02 1.01 -0.83 -5.03 121.20 114.23 2rdm s ILE 100 Ca 0.55 -1.04 -0.03 0.00 0.00 0.00 0.00 60.65 60.13 2rdm s ILE 100 Cb -0.10 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.64 2rdm s ILE 100 CO 0.43 0.56 -0.02 -0.51 0.00 0.00 0.00 174.94 175.39 2rdm s ILE 101 N -0.16 4.04 -0.22 2.92 2.07 -1.26 -0.84 121.20 127.74 2rdm s ILE 101 Ca -0.03 -0.32 -0.06 0.00 -1.41 0.00 0.00 60.65 58.83 2rdm s ILE 101 Cb -0.13 -2.75 -0.02 0.00 0.13 0.00 0.00 42.46 39.68 2rdm s ILE 101 CO 0.03 0.52 0.01 -0.76 -1.91 0.00 0.00 174.94 172.83 2rdm s LEU 102 N 0.08 3.22 -0.15 8.50 1.43 0.07 -4.95 118.68 126.88 2rdm s LEU 102 Ca 0.00 -0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 52.79 2rdm s LEU 102 Cb -0.13 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 2rdm s LEU 102 CO 0.02 0.00 0.03 -1.83 0.23 0.00 0.00 176.35 174.81 2rdm s GLU 103 N 1.37 3.69 0.30 1.70 -1.05 -1.26 -1.58 118.70 121.87 2rdm s GLU 103 Ca 0.05 -0.38 -0.30 0.00 -0.15 0.00 0.00 54.97 54.19 2rdm s GLU 103 Cb -0.15 -3.07 -0.12 0.00 -0.44 0.00 0.00 34.13 30.36 2rdm s GLU 103 CO 0.01 0.39 1.55 1.63 0.95 0.00 0.00 175.26 179.79 2rdm n LYS 104 N 3.15 2.60 -3.08 -4.83 5.02 -0.48 -3.97 118.16 116.58 2rdm n LYS 104 Ca -0.17 0.92 -0.35 0.00 -2.02 0.00 0.00 58.31 56.69 2rdm n LYS 104 Cb 0.53 -2.68 -0.06 0.00 -0.02 0.00 0.00 35.03 32.80 2rdm n LYS 104 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2rdm s PRO 105 N -0.75 4.23 0.09 1.97 0.04 -1.26 -4.90 135.00 134.42 2rdm s PRO 105 Ca 0.63 0.87 -0.02 0.00 0.04 0.00 0.00 61.00 62.52 2rdm s PRO 105 Cb -0.51 -2.77 -0.04 0.00 0.04 0.00 0.00 34.50 31.22 2rdm s PRO 105 CO 0.51 0.33 0.03 -0.59 0.04 0.00 0.00 177.00 177.32 2rdm s PHE 106 N -1.63 0.62 0.38 0.56 -0.12 -1.25 -5.17 117.98 111.35 2rdm s PHE 106 Ca 0.46 -1.09 0.06 0.00 -0.05 0.00 0.00 56.93 56.32 2rdm s PHE 106 Cb -0.15 -0.39 -0.00 0.00 -0.63 0.00 0.00 43.02 41.85 2rdm s PHE 106 CO 0.20 -0.46 0.53 0.95 -0.05 0.00 0.00 175.22 176.39 2rdm s THR 107 N -3.97 3.71 0.24 -4.49 -4.23 -1.26 -5.00 115.64 100.65 2rdm s THR 107 Ca 0.14 -0.95 -0.05 0.00 -1.18 0.00 0.00 61.69 59.65 2rdm s THR 107 Cb 0.07 -3.28 0.21 0.00 1.34 0.00 0.00 72.50 70.84 2rdm s THR 107 CO -0.05 -0.12 1.83 0.77 -0.54 0.00 0.00 174.62 176.51 2rdm h SER 108 N 0.75 0.77 -0.64 3.99 4.64 -2.00 -2.28 113.55 118.78 2rdm h SER 108 Ca -0.44 0.03 0.02 0.00 -0.47 0.00 0.00 61.79 60.93 2rdm h SER 108 Cb 1.26 -0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 63.19 2rdm h SER 108 CO 0.51 0.47 0.41 0.00 -0.87 0.00 0.00 176.83 177.35 2rdm h ALA 109 N 1.42 0.82 -0.85 5.18 0.00 -1.99 -1.62 119.26 122.23 2rdm h ALA 109 Ca 0.38 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 2rdm h ALA 109 Cb 0.25 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2rdm h ALA 109 CO -0.20 0.18 0.47 1.96 0.00 0.00 0.00 179.25 181.66 2rdm h GLN 110 N 0.81 1.18 -0.21 0.00 4.20 -1.84 -0.33 115.11 118.91 2rdm h GLN 110 Ca 0.25 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 2rdm h GLN 110 Cb -0.02 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.52 2rdm h GLN 110 CO -0.08 0.86 0.02 1.25 -0.67 0.00 0.00 178.83 180.21 2rdm h LEU 111 N 1.18 0.35 -0.39 1.46 5.85 -1.04 -1.68 115.31 121.03 2rdm h LEU 111 Ca 0.30 -0.28 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 2rdm h LEU 111 Cb 0.02 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 2rdm h LEU 111 CO -0.05 0.55 0.02 0.40 -0.34 0.00 0.00 178.44 179.02 2rdm h ILE 112 N 0.14 1.25 -0.44 4.05 1.08 -1.12 -1.65 117.51 120.84 2rdm h ILE 112 Ca 0.06 -0.96 0.01 0.00 -0.39 0.00 0.00 64.86 63.59 2rdm h ILE 112 Cb 0.35 1.10 -0.03 0.00 -3.07 0.00 0.00 36.82 35.18 2rdm h ILE 112 CO 0.01 0.32 0.27 0.74 -0.69 0.00 0.00 178.15 178.80 2rdm h THR 113 N 0.51 1.07 -0.15 -0.27 2.02 -1.07 -0.66 112.91 114.37 2rdm h THR 113 Ca 0.11 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.11 2rdm h THR 113 Cb 0.44 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 2rdm h THR 113 CO 0.02 0.10 0.09 0.00 0.37 0.00 0.00 175.52 176.10 2rdm h ALA 114 N 1.18 0.19 -0.10 6.16 0.00 -1.08 -0.76 119.26 124.85 2rdm h ALA 114 Ca 0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2rdm h ALA 114 Cb -0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2rdm h ALA 114 CO -0.06 -0.33 0.03 0.28 0.00 0.00 0.00 179.25 179.16 2rdm h VAL 115 N 0.19 1.18 -0.48 0.00 2.07 -1.18 -2.47 116.25 115.56 2rdm h VAL 115 Ca 0.06 -0.55 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 2rdm h VAL 115 Cb -0.01 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 2rdm h VAL 115 CO -0.02 0.16 0.11 0.28 0.02 0.00 0.00 177.57 178.12 2rdm h SER 116 N -0.03 0.74 -0.68 0.57 0.02 -1.03 -1.53 113.55 111.60 2rdm h SER 116 Ca 0.03 -0.24 0.01 0.00 -0.84 0.00 0.00 61.79 60.75 2rdm h SER 116 Cb 0.23 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 2rdm h SER 116 CO -0.00 0.79 0.45 -0.61 -1.14 0.00 0.00 176.83 176.32 2rdm h GLN 117 N 0.66 0.90 -0.19 3.45 4.15 -1.12 0.82 115.11 123.78 2rdm h GLN 117 Ca 0.15 -0.05 -0.16 0.00 0.77 0.00 0.00 58.65 59.36 2rdm h GLN 117 Cb 0.34 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 2rdm h GLN 117 CO 0.00 0.59 -0.54 -0.07 -1.93 0.00 0.00 178.83 176.89 2rdm h LEU 118 N 0.92 0.61 -0.52 -2.39 3.38 -1.20 -1.66 115.31 114.45 2rdm h LEU 118 Ca 0.25 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 2rdm h LEU 118 Cb -0.11 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 2rdm h LEU 118 CO -0.05 1.03 0.07 -0.07 0.09 0.00 0.00 178.44 179.50 2rdm h LEU 119 N 0.42 0.84 -1.45 1.67 3.38 -1.11 -3.06 115.31 116.00 2rdm h LEU 119 Ca 0.01 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 2rdm h LEU 119 Cb 1.08 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2rdm h LEU 119 CO 0.10 0.90 -0.15 0.78 0.09 0.00 0.00 178.44 180.16 2rdm h ASN 120 N 0.75 0.16 0.60 -0.43 2.35 -0.69 -2.95 115.58 115.37 2rdm h ASN 120 Ca 0.15 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2rdm h ASN 120 Cb 0.43 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.76 2rdm h ASN 120 CO 0.01 0.33 0.00 0.00 -1.65 0.00 0.00 177.43 176.13 2rdm n ALA 121 N -2.49 2.19 -0.31 -0.83 0.00 -0.64 -3.99 120.51 114.44 2rdm n ALA 121 Ca -0.01 -0.10 0.10 0.00 0.00 0.00 0.00 53.44 53.42 2rdm n ALA 121 Cb 0.27 -1.39 0.32 0.00 0.00 0.00 0.00 19.45 18.64 2rdm n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rdm h ARG 122 N 0.00 0.80 0.00 0.00 3.08 -1.57 -3.51 114.38 113.19 2rdm h ARG 122 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2rdm h ARG 122 Cb 0.30 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2rdm h ARG 122 CO 0.00 0.53 0.00 0.39 -1.07 0.00 0.00 179.97 179.82