#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h45 n PRO 2 N 0.00 2.27 -3.20 1.61 -0.02 -1.26 -4.96 135.00 129.44 2h45 n PRO 2 Ca 0.00 0.80 -0.40 0.00 -2.02 0.00 0.00 63.50 61.89 2h45 n PRO 2 Cb 0.00 -2.54 -0.07 0.00 -0.02 0.00 0.00 33.50 30.88 2h45 n PRO 2 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2h45 s LEU 3 N -2.00 4.10 0.00 2.45 0.20 -1.26 -4.96 118.68 117.20 2h45 s LEU 3 Ca 0.58 0.64 0.00 0.00 0.69 0.00 0.00 54.13 56.04 2h45 s LEU 3 Cb -0.49 -2.74 0.00 0.00 -0.43 0.00 0.00 46.19 42.53 2h45 s LEU 3 CO 0.60 -0.26 0.00 0.61 -0.29 0.00 0.00 176.35 177.01 2h45 n GLY 4 N 4.11 -0.27 5.20 7.98 0.00 -1.26 -5.03 105.19 115.92 2h45 n GLY 4 Ca -0.03 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.50 2h45 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2h45 n SER 5 N 0.00 0.00 0.00 1.61 2.88 -1.26 -4.70 113.62 112.14 2h45 n SER 5 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2h45 n SER 5 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2h45 n SER 5 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2h45 n HIS 6 N 0.00 0.00 -3.74 0.66 -0.00 -1.26 -4.78 115.22 106.10 2h45 n HIS 6 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.46 2h45 n HIS 6 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.00 2h45 n HIS 6 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2h45 n LEU 7 N 0.00 -0.47 -4.84 2.41 4.77 -1.26 -4.86 117.00 112.74 2h45 n LEU 7 Ca 0.00 -0.78 -0.32 0.00 -0.03 0.00 0.00 56.01 54.88 2h45 n LEU 7 Cb 0.00 -1.03 -0.06 0.00 -2.33 0.00 0.00 43.42 40.00 2h45 n LEU 7 CO 0.00 0.44 0.48 0.54 -1.33 0.00 0.00 177.39 177.53 2h45 s VAL 8 N -3.52 4.61 -0.21 4.08 0.11 -1.26 -4.88 120.40 119.33 2h45 s VAL 8 Ca 0.20 1.08 -0.19 0.00 -2.93 0.00 0.00 61.98 60.14 2h45 s VAL 8 Cb -0.11 -3.61 -0.08 0.00 -1.53 0.00 0.00 36.38 31.04 2h45 s VAL 8 CO 0.62 -0.24 0.81 0.00 -3.33 0.00 0.00 175.10 172.96 2h45 n ALA 9 N -0.49 -0.14 -2.53 1.54 0.00 -1.26 -4.87 120.51 112.76 2h45 n ALA 9 Ca 0.04 0.12 -0.33 0.00 0.00 0.00 0.00 53.44 53.28 2h45 n ALA 9 Cb 0.53 -0.84 -0.12 0.00 0.00 0.00 0.00 19.45 19.02 2h45 n ALA 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2h45 s THR 10 N 2.05 3.34 0.50 0.00 2.01 -1.26 -5.12 115.64 117.16 2h45 s THR 10 Ca 0.48 -0.68 -0.13 0.00 0.31 0.00 0.00 61.69 61.66 2h45 s THR 10 Cb -0.62 -2.36 -0.07 0.00 0.01 0.00 0.00 72.50 69.46 2h45 s THR 10 CO 0.30 0.55 0.92 -0.55 -0.69 0.00 0.00 174.62 175.14 2h45 s SER 11 N -0.91 6.52 0.29 3.53 0.15 -1.26 -4.99 113.70 117.02 2h45 s SER 11 Ca 0.13 1.39 -0.30 0.00 0.70 0.00 0.00 55.95 57.87 2h45 s SER 11 Cb -0.11 -2.44 -0.13 0.00 -1.71 0.00 0.00 66.02 61.64 2h45 s SER 11 CO 0.02 -0.57 1.31 -0.62 1.20 0.00 0.00 173.24 174.58 2h45 n GLU 12 N -1.71 1.98 -0.01 5.44 4.71 -1.26 -4.90 120.64 124.89 2h45 n GLU 12 Ca 0.05 0.70 0.07 0.00 -0.01 0.00 0.00 57.16 57.96 2h45 n GLU 12 Cb 0.54 -2.29 -0.10 0.00 -1.01 0.00 0.00 31.44 28.58 2h45 n GLU 12 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 2h45 n SER 13 N 1.47 1.80 -4.53 1.62 7.64 -1.26 -4.94 113.62 115.42 2h45 n SER 13 Ca 0.09 -0.10 -0.36 0.00 1.01 0.00 0.00 58.87 59.50 2h45 n SER 13 Cb 0.33 1.53 -0.11 0.00 -1.01 0.00 0.00 64.21 64.94 2h45 n SER 13 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2h45 s VAL 14 N -2.83 4.72 0.00 0.44 1.01 -1.26 -4.53 120.40 117.96 2h45 s VAL 14 Ca -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.91 2h45 s VAL 14 Cb 0.09 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.26 2h45 s VAL 14 CO 0.55 0.34 0.00 0.41 0.00 0.00 0.00 175.10 176.40 2h45 n THR 15 N 4.65 0.00 -1.64 3.92 -1.04 -1.26 -4.56 114.28 114.34 2h45 n THR 15 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 2h45 n THR 15 Cb 0.52 -0.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 2h45 n THR 15 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2h45 n GLU 16 N -0.31 -2.06 0.11 -2.82 4.71 -1.26 -4.46 120.64 114.55 2h45 n GLU 16 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 57.16 57.24 2h45 n GLU 16 Cb 0.00 -2.95 0.14 0.00 -1.01 0.00 0.00 31.44 27.61 2h45 n GLU 16 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 2h45 n ILE 17 N -1.51 0.00 -1.50 -3.67 5.41 -1.26 -3.20 119.36 113.63 2h45 n ILE 17 Ca 0.00 0.94 -0.36 0.00 1.00 0.00 0.00 62.75 64.33 2h45 n ILE 17 Cb 0.28 -1.80 0.08 0.00 -0.71 0.00 0.00 39.64 37.50 2h45 n ILE 17 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2h45 n THR 18 N -2.49 3.68 -1.64 1.39 -2.24 -1.26 -1.20 114.28 110.51 2h45 n THR 18 Ca 0.07 -0.41 -0.16 0.00 -2.27 0.00 0.00 64.05 61.28 2h45 n THR 18 Cb 1.03 -1.29 -0.06 0.00 -2.10 0.00 0.00 70.33 67.92 2h45 n THR 18 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2h45 n ALA 19 N -2.32 -0.33 -2.90 6.98 0.00 -1.26 -0.41 120.51 120.26 2h45 n ALA 19 Ca 0.14 0.24 -0.22 0.00 0.00 0.00 0.00 53.44 53.61 2h45 n ALA 19 Cb 0.49 -1.70 0.02 0.00 0.00 0.00 0.00 19.45 18.26 2h45 n ALA 19 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2h45 n SER 20 N -1.04 -5.66 -4.56 0.00 3.41 -0.34 -1.76 113.62 103.66 2h45 n SER 20 Ca -0.17 -0.21 -0.29 0.00 -0.26 0.00 0.00 58.87 57.93 2h45 n SER 20 Cb 0.56 -4.62 0.22 0.00 -0.26 0.00 0.00 64.21 60.11 2h45 n SER 20 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2h45 s SER 21 N -2.53 1.72 0.05 4.04 1.04 0.45 -4.53 113.70 113.93 2h45 s SER 21 Ca 0.24 1.75 0.02 0.00 0.48 0.00 0.00 55.95 58.44 2h45 s SER 21 Cb -0.11 -2.40 -0.03 0.00 0.10 0.00 0.00 66.02 63.59 2h45 s SER 21 CO 0.29 -3.78 -0.08 -0.36 0.98 0.00 0.00 173.24 170.30 2h45 s PHE 22 N -2.54 0.68 -0.30 5.02 0.08 -0.90 -4.56 117.98 115.46 2h45 s PHE 22 Ca 0.68 -0.55 0.01 0.00 0.12 0.00 0.00 56.93 57.19 2h45 s PHE 22 Cb -0.24 -0.41 0.09 0.00 -0.57 0.00 0.00 43.02 41.89 2h45 s PHE 22 CO 0.62 -0.10 0.05 0.08 -0.10 0.00 0.00 175.22 175.78 2h45 s VAL 23 N -1.62 1.44 -0.08 -0.44 1.01 -1.26 -0.42 120.40 119.03 2h45 s VAL 23 Ca -0.08 -1.65 0.01 0.00 0.00 0.00 0.00 61.98 60.26 2h45 s VAL 23 Cb -0.08 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 2h45 s VAL 23 CO -0.00 -0.53 -0.11 -0.69 0.00 0.00 0.00 175.10 173.77 2h45 s VAL 24 N 1.35 3.31 0.16 2.92 1.01 -0.95 -4.78 120.40 123.42 2h45 s VAL 24 Ca 0.07 -0.61 0.10 0.00 0.00 0.00 0.00 61.98 61.54 2h45 s VAL 24 Cb -0.18 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 2h45 s VAL 24 CO -0.16 0.57 -0.23 -0.94 0.00 0.00 0.00 175.10 174.34 2h45 s SER 25 N -0.38 3.12 0.00 3.32 1.04 -1.26 -1.83 113.70 117.70 2h45 s SER 25 Ca 0.05 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.65 2h45 s SER 25 Cb -0.12 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.79 2h45 s SER 25 CO 0.02 0.09 0.00 -2.67 0.98 0.00 0.00 173.24 171.66 2h45 n TRP 26 N 0.49 -0.16 -4.89 5.02 2.14 -0.24 -4.99 117.44 114.81 2h45 n TRP 26 Ca -0.15 0.00 -0.33 0.00 2.07 0.00 0.00 57.50 59.10 2h45 n TRP 26 Cb 0.55 0.00 -0.14 0.00 -0.81 0.00 0.00 31.31 30.91 2h45 n TRP 26 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 2h45 s VAL 27 N -2.09 2.89 0.54 -1.67 1.01 -1.26 -4.81 120.40 115.01 2h45 s VAL 27 Ca 0.00 -0.74 0.30 0.00 0.00 0.00 0.00 61.98 61.54 2h45 s VAL 27 Cb 0.00 -2.17 0.46 0.00 0.00 0.00 0.00 36.38 34.67 2h45 s VAL 27 CO 0.00 0.55 1.91 0.77 0.00 0.00 0.00 175.10 178.33 2h45 h SER 28 N 6.29 0.00 0.00 3.32 4.64 -1.93 -3.43 113.55 122.44 2h45 h SER 28 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2h45 h SER 28 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2h45 h SER 28 CO 0.53 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.49 2h45 n ALA 29 N -2.67 0.00 -3.64 5.18 0.00 -1.26 -4.70 120.51 113.42 2h45 n ALA 29 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.57 2h45 n ALA 29 Cb 0.87 -0.55 -0.07 0.00 0.00 0.00 0.00 19.45 19.70 2h45 n ALA 29 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2h45 s SER 30 N -1.08 -0.30 0.00 0.00 0.01 -1.26 -5.02 113.70 106.06 2h45 s SER 30 Ca 0.00 0.52 0.26 0.00 1.31 0.00 0.00 55.95 58.04 2h45 s SER 30 Cb 0.00 0.84 0.70 0.00 0.21 0.00 0.00 66.02 67.77 2h45 s SER 30 CO 0.00 -0.09 1.54 0.47 0.41 0.00 0.00 173.24 175.58 2h45 n ASP 31 N 2.72 0.56 -0.12 2.44 8.00 -1.26 -3.57 116.55 125.32 2h45 n ASP 31 Ca -0.15 -0.35 0.15 0.00 0.71 0.00 0.00 54.79 55.15 2h45 n ASP 31 Cb 0.57 0.12 0.72 0.00 -0.02 0.00 0.00 41.12 42.50 2h45 n ASP 31 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2h45 n THR 32 N -1.26 0.00 -2.00 -3.53 -2.24 -1.26 -4.86 114.28 99.12 2h45 n THR 32 Ca 0.08 -0.06 -0.41 0.00 -2.27 0.00 0.00 64.05 61.39 2h45 n THR 32 Cb 0.33 -0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.35 2h45 n THR 32 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2h45 s VAL 33 N -2.28 2.62 -0.56 2.28 0.11 -1.23 -3.10 120.40 118.24 2h45 s VAL 33 Ca 0.36 0.53 0.23 0.00 -2.93 0.00 0.00 61.98 60.16 2h45 s VAL 33 Cb 0.21 -3.34 -0.15 0.00 -1.53 0.00 0.00 36.38 31.57 2h45 s VAL 33 CO 0.42 0.09 0.94 -1.20 -3.33 0.00 0.00 175.10 172.02 2h45 n SER 34 N 2.15 0.58 0.00 3.54 7.64 1.31 -4.60 113.62 124.24 2h45 n SER 34 Ca 0.06 -0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.70 2h45 n SER 34 Cb 0.40 0.97 0.00 0.00 -1.01 0.00 0.00 64.21 64.57 2h45 n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2h45 n GLY 35 N 1.36 -1.31 3.24 0.23 0.00 -1.05 -3.11 105.19 104.56 2h45 n GLY 35 Ca 0.01 -1.03 -0.20 0.00 0.00 0.00 0.00 46.02 44.81 2h45 n GLY 35 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2h45 s PHE 36 N -2.11 1.48 -0.09 1.61 0.08 0.44 0.29 117.98 119.68 2h45 s PHE 36 Ca 0.00 -0.50 0.00 0.00 0.12 0.00 0.00 56.93 56.55 2h45 s PHE 36 Cb 0.00 -0.79 0.02 0.00 -0.57 0.00 0.00 43.02 41.68 2h45 s PHE 36 CO 0.00 0.16 -0.07 0.50 -0.10 0.00 0.00 175.22 175.71 2h45 s ARG 37 N -2.32 1.34 -0.12 0.44 3.52 0.15 0.37 118.95 122.34 2h45 s ARG 37 Ca 0.07 -0.21 -0.02 0.00 -0.13 0.00 0.00 55.73 55.44 2h45 s ARG 37 Cb -0.07 -1.39 -0.03 0.00 -1.56 0.00 0.00 34.95 31.90 2h45 s ARG 37 CO 0.03 -0.20 -0.04 0.08 -0.81 0.00 0.00 175.30 174.36 2h45 s VAL 38 N 1.49 3.87 -0.12 7.11 1.01 0.76 -0.48 120.40 134.04 2h45 s VAL 38 Ca 0.00 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.62 2h45 s VAL 38 Cb -0.13 -2.65 0.01 0.00 0.00 0.00 0.00 36.38 33.61 2h45 s VAL 38 CO -0.05 0.54 -0.21 -0.70 0.00 0.00 0.00 175.10 174.68 2h45 s GLU 39 N -0.16 2.81 -0.04 2.72 2.12 -0.68 -0.54 118.70 124.93 2h45 s GLU 39 Ca 0.03 -0.78 0.01 0.00 0.36 0.00 0.00 54.97 54.59 2h45 s GLU 39 Cb -0.13 -2.23 0.02 0.00 0.26 0.00 0.00 34.13 32.05 2h45 s GLU 39 CO 0.02 0.04 -0.06 1.52 -0.54 0.00 0.00 175.26 176.25 2h45 s TYR 40 N 0.69 0.83 0.11 5.30 -0.85 -1.01 -2.07 117.35 120.35 2h45 s TYR 40 Ca -0.11 -0.23 -0.09 0.00 -0.52 0.00 0.00 57.07 56.11 2h45 s TYR 40 Cb -0.16 -0.68 -0.00 0.00 0.38 0.00 0.00 41.96 41.50 2h45 s TYR 40 CO 0.02 -0.17 0.23 -1.83 -1.52 0.00 0.00 175.55 172.27 2h45 s GLU 41 N 0.71 0.95 0.05 -3.49 -1.05 -1.17 -2.64 118.70 112.05 2h45 s GLU 41 Ca -0.10 -1.01 -0.30 0.00 -0.15 0.00 0.00 54.97 53.40 2h45 s GLU 41 Cb -0.13 0.36 -0.05 0.00 -0.44 0.00 0.00 34.13 33.87 2h45 s GLU 41 CO 0.01 -0.32 1.13 -0.51 0.95 0.00 0.00 175.26 176.52 2h45 s LEU 42 N -2.89 4.38 0.41 1.83 1.43 -1.26 -1.08 118.68 121.49 2h45 s LEU 42 Ca 0.08 1.93 0.22 0.00 -1.03 0.00 0.00 54.13 55.34 2h45 s LEU 42 Cb 0.04 -3.58 0.65 0.00 0.03 0.00 0.00 46.19 43.34 2h45 s LEU 42 CO -0.08 -0.40 1.71 0.77 0.23 0.00 0.00 176.35 178.58 2h45 h SER 43 N 6.67 0.00 0.00 2.29 4.64 -0.18 -0.67 113.55 126.30 2h45 h SER 43 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2h45 h SER 43 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2h45 h SER 43 CO 0.79 0.24 0.00 -0.62 -0.87 0.00 0.00 176.83 176.37 2h45 n GLU 44 N -3.28 0.00 -0.26 4.77 1.02 -1.26 -4.49 120.64 117.15 2h45 n GLU 44 Ca 0.01 0.23 0.02 0.00 -0.02 0.00 0.00 57.16 57.40 2h45 n GLU 44 Cb 0.51 -0.71 0.24 0.00 -0.02 0.00 0.00 31.44 31.46 2h45 n GLU 44 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2h45 h GLU 45 N 0.00 1.01 -0.66 3.49 5.08 -1.91 -3.46 114.58 118.13 2h45 h GLU 45 Ca 0.00 -0.06 -0.21 0.00 -1.00 0.00 0.00 59.36 58.09 2h45 h GLU 45 Cb 0.00 -0.23 -0.07 0.00 0.50 0.00 0.00 28.75 28.95 2h45 h GLU 45 CO 0.00 0.67 -0.20 0.41 -1.00 0.00 0.00 179.01 178.89 2h45 n GLY 46 N -1.41 0.93 1.95 -3.84 0.00 -0.26 -4.98 105.19 97.58 2h45 n GLY 46 Ca 0.10 -0.55 -0.07 0.00 0.00 0.00 0.00 46.02 45.51 2h45 n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2h45 n ASP 47 N 0.32 -2.03 -4.77 1.61 2.03 -1.26 -4.82 116.55 107.63 2h45 n ASP 47 Ca -0.10 -0.19 -0.40 0.00 0.52 0.00 0.00 54.79 54.61 2h45 n ASP 47 Cb 0.38 -0.45 -0.03 0.00 -0.72 0.00 0.00 41.12 40.31 2h45 n ASP 47 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2h45 s GLU 48 N -2.32 4.44 0.49 -0.67 -1.05 -1.26 -4.69 118.70 113.65 2h45 s GLU 48 Ca 0.14 2.05 -0.21 0.00 -0.15 0.00 0.00 54.97 56.80 2h45 s GLU 48 Cb -0.03 -3.09 -0.08 0.00 -0.44 0.00 0.00 34.13 30.50 2h45 s GLU 48 CO 0.12 -0.05 1.09 -1.25 0.95 0.00 0.00 175.26 176.12 2h45 s PRO 49 N -1.69 3.71 0.09 -4.83 0.04 -1.26 -4.86 135.00 126.19 2h45 s PRO 49 Ca 0.48 1.53 0.08 0.00 0.04 0.00 0.00 61.00 63.14 2h45 s PRO 49 Cb -0.36 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 31.95 2h45 s PRO 49 CO 0.48 -0.54 -0.19 -0.65 0.04 0.00 0.00 177.00 176.14 2h45 s GLN 50 N -3.04 1.86 -0.02 4.56 -0.21 -1.08 -4.98 119.66 116.73 2h45 s GLN 50 Ca 0.67 -1.12 0.06 0.00 0.02 0.00 0.00 55.36 55.00 2h45 s GLN 50 Cb -0.22 -2.11 -0.02 0.00 1.00 0.00 0.00 33.01 31.67 2h45 s GLN 50 CO 0.26 0.50 -0.21 0.71 -2.12 0.00 0.00 175.29 174.43 2h45 s TYR 51 N -1.03 1.88 -0.09 0.91 2.02 -1.26 -2.41 117.35 117.36 2h45 s TYR 51 Ca 0.16 -0.37 0.03 0.00 -0.37 0.00 0.00 57.07 56.51 2h45 s TYR 51 Cb -0.10 -1.21 0.01 0.00 -0.40 0.00 0.00 41.96 40.25 2h45 s TYR 51 CO 0.07 -0.05 -0.17 -0.51 -1.57 0.00 0.00 175.55 173.33 2h45 s LEU 52 N -0.45 1.82 -0.17 -1.29 1.43 0.30 -4.94 118.68 115.39 2h45 s LEU 52 Ca 0.07 -0.43 -0.07 0.00 -1.03 0.00 0.00 54.13 52.67 2h45 s LEU 52 Cb -0.08 -1.10 -0.04 0.00 0.03 0.00 0.00 46.19 44.99 2h45 s LEU 52 CO -0.00 0.07 0.07 -1.81 0.23 0.00 0.00 176.35 174.90 2h45 s ASP 53 N 0.66 5.71 0.13 2.29 1.01 -1.26 -0.17 116.67 125.04 2h45 s ASP 53 Ca -0.13 0.14 0.06 0.00 0.71 0.00 0.00 52.55 53.33 2h45 s ASP 53 Cb -0.16 -1.94 -0.04 0.00 1.01 0.00 0.00 42.92 41.79 2h45 s ASP 53 CO 0.04 0.22 -0.14 -0.76 0.21 0.00 0.00 175.17 174.73 2h45 s LEU 54 N 0.09 2.42 0.70 1.23 1.43 0.16 -4.94 118.68 119.77 2h45 s LEU 54 Ca 0.06 -0.83 -0.14 0.00 -1.03 0.00 0.00 54.13 52.18 2h45 s LEU 54 Cb -0.12 -0.57 0.02 0.00 0.03 0.00 0.00 46.19 45.55 2h45 s LEU 54 CO 0.01 -0.14 1.13 -2.16 0.23 0.00 0.00 176.35 175.41 2h45 s PRO 55 N -2.77 2.51 0.31 1.29 0.04 -1.26 0.17 135.00 135.28 2h45 s PRO 55 Ca 0.10 1.44 0.19 0.00 0.04 0.00 0.00 61.00 62.77 2h45 s PRO 55 Cb -0.04 -1.91 1.03 0.00 0.04 0.00 0.00 34.50 33.62 2h45 s PRO 55 CO 0.03 -1.49 1.55 -1.13 0.04 0.00 0.00 177.00 176.01 2h45 n SER 56 N -2.72 0.49 0.01 6.66 3.41 -1.18 0.53 113.62 120.83 2h45 n SER 56 Ca 0.11 0.71 0.12 0.00 -0.26 0.00 0.00 58.87 59.54 2h45 n SER 56 Cb 0.52 -0.75 0.24 0.00 -0.26 0.00 0.00 64.21 63.96 2h45 n SER 56 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2h45 n THR 57 N -2.18 0.07 -2.87 6.66 -2.24 -1.26 -4.85 114.28 107.61 2h45 n THR 57 Ca -0.01 -0.06 -0.41 0.00 -2.27 0.00 0.00 64.05 61.30 2h45 n THR 57 Cb 0.10 0.14 -0.04 0.00 -2.10 0.00 0.00 70.33 68.43 2h45 n THR 57 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2h45 s ALA 58 N -3.04 3.27 -0.00 6.98 0.00 0.19 -4.92 121.76 124.23 2h45 s ALA 58 Ca 0.10 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.43 2h45 s ALA 58 Cb 0.17 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 20.15 2h45 s ALA 58 CO 0.70 -0.11 0.87 0.25 0.00 0.00 0.00 175.76 177.48 2h45 n THR 59 N 3.51 0.75 -3.58 0.00 -2.24 -1.26 -4.87 114.28 106.59 2h45 n THR 59 Ca 0.02 -0.75 -0.13 0.00 -2.27 0.00 0.00 64.05 60.91 2h45 n THR 59 Cb 0.51 0.62 -0.06 0.00 -2.10 0.00 0.00 70.33 69.30 2h45 n THR 59 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2h45 s SER 60 N -0.77 -0.52 0.01 3.42 1.04 -1.26 -1.08 113.70 114.53 2h45 s SER 60 Ca 0.00 0.74 -0.13 0.00 0.48 0.00 0.00 55.95 57.05 2h45 s SER 60 Cb 0.00 0.66 0.02 0.00 0.10 0.00 0.00 66.02 66.81 2h45 s SER 60 CO 0.00 -0.36 0.28 0.54 0.98 0.00 0.00 173.24 174.68 2h45 s VAL 61 N -0.63 0.07 -0.23 5.02 0.11 -0.76 -5.00 120.40 118.98 2h45 s VAL 61 Ca -0.03 -0.61 -0.09 0.00 -2.93 0.00 0.00 61.98 58.32 2h45 s VAL 61 Cb -0.02 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 34.04 2h45 s VAL 61 CO 0.02 -0.33 0.12 0.21 -3.33 0.00 0.00 175.10 171.78 2h45 s ASN 62 N -1.67 5.75 -0.46 3.54 3.04 -1.26 -2.25 114.94 121.63 2h45 s ASN 62 Ca -0.10 0.02 -0.17 0.00 0.04 0.00 0.00 52.86 52.65 2h45 s ASN 62 Cb -0.03 -2.03 0.05 0.00 -1.54 0.00 0.00 41.25 37.70 2h45 s ASN 62 CO 0.01 0.06 0.47 -0.63 -3.04 0.00 0.00 177.10 173.97 2h45 s ILE 63 N 1.06 5.08 0.65 -5.21 1.01 0.45 -4.93 121.20 119.32 2h45 s ILE 63 Ca 0.06 -0.65 -0.00 0.00 0.00 0.00 0.00 60.65 60.05 2h45 s ILE 63 Cb -0.14 -4.14 0.13 0.00 0.01 0.00 0.00 42.46 38.32 2h45 s ILE 63 CO 0.04 -0.59 0.90 -0.81 0.00 0.00 0.00 174.94 174.48 2h45 n PRO 64 N 5.62 -0.05 -3.42 2.79 -0.04 -1.26 -2.11 135.00 136.52 2h45 n PRO 64 Ca -0.09 -2.41 -0.24 0.00 -0.04 0.00 0.00 63.50 60.72 2h45 n PRO 64 Cb 0.45 -0.60 0.05 0.00 -0.04 0.00 0.00 33.50 33.37 2h45 n PRO 64 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2h45 n ASP 65 N -2.93 -6.02 -4.85 3.54 8.00 -1.26 -4.98 116.55 108.04 2h45 n ASP 65 Ca 0.15 -0.47 -0.34 0.00 0.71 0.00 0.00 54.79 54.84 2h45 n ASP 65 Cb 0.53 -4.79 -0.06 0.00 -0.02 0.00 0.00 41.12 36.78 2h45 n ASP 65 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2h45 s LEU 66 N -7.06 4.28 -0.18 0.64 1.43 -0.72 -5.05 118.68 112.03 2h45 s LEU 66 Ca 0.49 1.01 -0.23 0.00 -1.03 0.00 0.00 54.13 54.36 2h45 s LEU 66 Cb -0.22 -3.38 -0.02 0.00 0.03 0.00 0.00 46.19 42.60 2h45 s LEU 66 CO 0.60 0.05 0.74 -0.76 0.23 0.00 0.00 176.35 177.22 2h45 s LEU 67 N -2.22 4.17 0.40 1.79 1.43 -1.26 -4.14 118.68 118.84 2h45 s LEU 67 Ca 0.40 1.03 -0.26 0.00 -1.03 0.00 0.00 54.13 54.28 2h45 s LEU 67 Cb -0.14 -3.09 -0.09 0.00 0.03 0.00 0.00 46.19 42.91 2h45 s LEU 67 CO 0.20 -0.34 1.22 -2.16 0.23 0.00 0.00 176.35 175.50 2h45 s PRO 68 N 2.01 4.04 -0.15 1.29 0.04 -1.26 -3.11 135.00 137.86 2h45 s PRO 68 Ca 0.34 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.34 2h45 s PRO 68 Cb -0.16 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.65 2h45 s PRO 68 CO 0.12 -0.36 0.00 0.41 0.04 0.00 0.00 177.00 177.20 2h45 n GLY 69 N 0.67 0.49 3.27 0.56 0.00 -0.18 -5.02 105.19 104.99 2h45 n GLY 69 Ca 0.04 -0.97 -0.22 0.00 0.00 0.00 0.00 46.02 44.87 2h45 n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2h45 s ARG 70 N -2.03 1.09 -0.19 1.61 1.81 -1.18 -4.95 118.95 115.11 2h45 s ARG 70 Ca 0.00 -1.19 -0.10 0.00 -1.72 0.00 0.00 55.73 52.73 2h45 s ARG 70 Cb 0.00 -1.23 -0.05 0.00 -0.45 0.00 0.00 34.95 33.22 2h45 s ARG 70 CO 0.00 0.27 0.12 0.21 -0.68 0.00 0.00 175.30 175.23 2h45 s LYS 71 N -2.14 4.12 0.25 3.54 2.20 -1.26 -1.47 119.74 124.98 2h45 s LYS 71 Ca 0.07 -0.23 0.11 0.00 -0.36 0.00 0.00 55.97 55.56 2h45 s LYS 71 Cb -0.09 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.80 2h45 s LYS 71 CO 0.04 0.33 -0.14 0.71 -0.36 0.00 0.00 175.35 175.94 2h45 s TYR 72 N 0.27 2.45 -0.16 4.03 1.51 -0.10 0.57 117.35 125.92 2h45 s TYR 72 Ca 0.08 -0.29 -0.02 0.00 -1.01 0.00 0.00 57.07 55.84 2h45 s TYR 72 Cb -0.11 -1.11 -0.01 0.00 -0.11 0.00 0.00 41.96 40.62 2h45 s TYR 72 CO -0.01 0.64 -0.10 0.42 -1.11 0.00 0.00 175.55 175.38 2h45 s ILE 73 N -2.24 3.16 -0.15 2.71 1.01 -0.24 -1.62 121.20 123.82 2h45 s ILE 73 Ca 0.29 -0.60 -0.01 0.00 0.00 0.00 0.00 60.65 60.32 2h45 s ILE 73 Cb -0.06 -2.37 -0.02 0.00 0.01 0.00 0.00 42.46 40.02 2h45 s ILE 73 CO 0.16 0.49 -0.10 -0.69 0.00 0.00 0.00 174.94 174.80 2h45 s VAL 74 N 0.78 3.27 -0.06 2.92 1.01 0.15 -3.07 120.40 125.40 2h45 s VAL 74 Ca -0.04 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.37 2h45 s VAL 74 Cb -0.15 -2.40 0.02 0.00 0.00 0.00 0.00 36.38 33.85 2h45 s VAL 74 CO 0.01 0.51 -0.05 0.20 0.00 0.00 0.00 175.10 175.77 2h45 s ASN 75 N 0.48 1.38 -0.19 3.32 0.01 -0.88 -0.30 114.94 118.76 2h45 s ASN 75 Ca -0.07 -0.16 -0.07 0.00 -0.71 0.00 0.00 52.86 51.85 2h45 s ASN 75 Cb -0.15 -0.54 -0.04 0.00 0.41 0.00 0.00 41.25 40.92 2h45 s ASN 75 CO 0.04 -0.09 0.05 -0.69 -1.51 0.00 0.00 177.10 174.90 2h45 s VAL 76 N 1.28 4.62 -0.02 1.60 1.01 0.21 -1.69 120.40 127.40 2h45 s VAL 76 Ca -0.05 -0.09 0.07 0.00 0.00 0.00 0.00 61.98 61.91 2h45 s VAL 76 Cb -0.14 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 2h45 s VAL 76 CO -0.02 0.45 -0.25 -0.31 0.00 0.00 0.00 175.10 174.97 2h45 s TYR 77 N 0.55 2.26 -0.16 5.22 2.02 0.37 -1.33 117.35 126.28 2h45 s TYR 77 Ca 0.02 -0.46 -0.07 0.00 -0.37 0.00 0.00 57.07 56.19 2h45 s TYR 77 Cb -0.13 -1.46 -0.04 0.00 -0.40 0.00 0.00 41.96 39.93 2h45 s TYR 77 CO 0.01 -0.06 0.10 1.14 -1.57 0.00 0.00 175.55 175.17 2h45 s GLN 78 N -0.53 3.75 -0.29 -0.62 -2.07 -0.77 0.32 119.66 119.45 2h45 s GLN 78 Ca 0.08 -0.24 -0.12 0.00 -1.82 0.00 0.00 55.36 53.26 2h45 s GLN 78 Cb -0.10 -3.22 -0.04 0.00 -1.09 0.00 0.00 33.01 28.55 2h45 s GLN 78 CO -0.00 0.50 0.24 0.42 -1.32 0.00 0.00 175.29 175.13 2h45 s ILE 79 N -0.25 5.28 0.75 3.63 1.01 0.15 -2.74 121.20 129.02 2h45 s ILE 79 Ca 0.10 0.21 -0.09 0.00 0.00 0.00 0.00 60.65 60.86 2h45 s ILE 79 Cb -0.12 -3.59 0.07 0.00 0.01 0.00 0.00 42.46 38.83 2h45 s ILE 79 CO 0.01 0.19 1.10 -0.94 0.00 0.00 0.00 174.94 175.30 2h45 s SER 80 N 1.73 4.71 0.62 3.58 1.04 -0.46 0.40 113.70 125.32 2h45 s SER 80 Ca 0.09 0.65 0.42 0.00 0.48 0.00 0.00 55.95 57.58 2h45 s SER 80 Cb -0.16 -1.23 2.28 0.00 0.10 0.00 0.00 66.02 67.00 2h45 s SER 80 CO 0.11 -1.73 2.28 -0.33 0.98 0.00 0.00 173.24 174.55 2h45 h GLU 81 N -0.82 0.00 -0.02 4.02 5.08 -1.88 0.11 114.58 121.07 2h45 h GLU 81 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2h45 h GLU 81 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2h45 h GLU 81 CO 0.63 0.00 -0.09 -0.40 -1.00 0.00 0.00 179.01 178.15 2h45 n ASP 82 N -2.97 1.78 0.00 1.42 5.68 -1.26 -4.92 116.55 116.28 2h45 n ASP 82 Ca -0.03 -1.49 0.00 0.00 -0.50 0.00 0.00 54.79 52.77 2h45 n ASP 82 Cb 0.07 0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 2h45 n ASP 82 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2h45 n GLY 83 N 1.27 0.67 3.77 6.12 0.00 0.37 -5.05 105.19 112.34 2h45 n GLY 83 Ca 0.16 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2h45 n GLY 83 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h45 s GLU 84 N -0.57 4.59 -0.07 1.61 0.41 -1.26 -4.79 118.70 118.62 2h45 s GLU 84 Ca 0.00 1.19 0.01 0.00 -0.41 0.00 0.00 54.97 55.75 2h45 s GLU 84 Cb 0.00 -3.28 -0.03 0.00 -1.78 0.00 0.00 34.13 29.04 2h45 s GLU 84 CO 0.00 0.53 -0.07 -0.65 -0.49 0.00 0.00 175.26 174.58 2h45 s GLN 85 N -1.00 2.80 -0.02 1.61 -0.21 -1.26 -1.36 119.66 120.22 2h45 s GLN 85 Ca 0.37 -0.55 0.01 0.00 0.02 0.00 0.00 55.36 55.21 2h45 s GLN 85 Cb -0.23 -2.61 0.01 0.00 1.00 0.00 0.00 33.01 31.18 2h45 s GLN 85 CO 0.26 0.64 -0.03 0.45 -2.12 0.00 0.00 175.29 174.50 2h45 s SER 86 N -0.75 0.51 -0.18 5.90 0.15 -1.11 -4.92 113.70 113.31 2h45 s SER 86 Ca 0.11 -0.07 -0.29 0.00 0.70 0.00 0.00 55.95 56.40 2h45 s SER 86 Cb -0.11 -0.15 -0.02 0.00 -1.71 0.00 0.00 66.02 64.03 2h45 s SER 86 CO 0.02 -0.00 1.38 -0.22 1.20 0.00 0.00 173.24 175.61 2h45 s LEU 87 N 0.34 4.11 -0.04 3.45 2.96 -1.26 -1.85 118.68 126.39 2h45 s LEU 87 Ca -0.03 1.68 0.12 0.00 -0.22 0.00 0.00 54.13 55.68 2h45 s LEU 87 Cb -0.07 -3.54 -0.17 0.00 0.50 0.00 0.00 46.19 42.91 2h45 s LEU 87 CO -0.01 -0.91 0.21 2.30 -1.32 0.00 0.00 176.35 176.62 2h45 n ILE 88 N 5.67 0.18 -3.66 6.68 -5.35 -0.44 -4.98 119.36 117.47 2h45 n ILE 88 Ca 0.15 -0.32 -0.07 0.00 -0.27 0.00 0.00 62.75 62.25 2h45 n ILE 88 Cb 0.45 0.01 -0.08 0.00 -1.74 0.00 0.00 39.64 38.27 2h45 n ILE 88 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2h45 s LEU 89 N -4.07 -0.73 -0.10 7.28 2.96 -1.21 -4.84 118.68 117.98 2h45 s LEU 89 Ca -0.05 1.18 -0.00 0.00 -0.22 0.00 0.00 54.13 55.05 2h45 s LEU 89 Cb 0.07 1.70 0.02 0.00 0.50 0.00 0.00 46.19 48.48 2h45 s LEU 89 CO 0.49 -0.22 -0.07 -0.55 -1.32 0.00 0.00 176.35 174.67 2h45 s SER 90 N 2.45 1.94 0.11 3.68 0.15 -1.26 0.65 113.70 121.42 2h45 s SER 90 Ca -0.05 -0.26 -0.18 0.00 0.70 0.00 0.00 55.95 56.17 2h45 s SER 90 Cb -0.11 -0.75 0.04 0.00 -1.71 0.00 0.00 66.02 63.49 2h45 s SER 90 CO -0.15 -0.10 0.43 0.28 1.20 0.00 0.00 173.24 174.90 2h45 s THR 91 N 1.53 0.06 0.16 6.45 -1.32 0.59 -5.01 115.64 118.10 2h45 s THR 91 Ca 0.01 -0.48 0.10 0.00 -1.21 0.00 0.00 61.69 60.11 2h45 s THR 91 Cb -0.13 -1.10 -0.04 0.00 -1.51 0.00 0.00 72.50 69.72 2h45 s THR 91 CO -0.05 -0.26 -0.18 -0.94 -2.21 0.00 0.00 174.62 170.97 2h45 s SER 92 N -2.58 3.81 0.05 8.08 1.04 -1.26 0.34 113.70 123.18 2h45 s SER 92 Ca 0.01 -0.68 -0.00 0.00 0.48 0.00 0.00 55.95 55.76 2h45 s SER 92 Cb 0.01 -0.48 -0.04 0.00 0.10 0.00 0.00 66.02 65.61 2h45 s SER 92 CO -0.09 0.14 -0.04 -1.10 0.98 0.00 0.00 173.24 173.12 2h45 s GLN 93 N -2.51 0.59 -0.25 4.02 -0.21 -0.64 -4.96 119.66 115.69 2h45 s GLN 93 Ca 0.21 -1.10 0.01 0.00 0.02 0.00 0.00 55.36 54.50 2h45 s GLN 93 Cb -0.09 0.08 0.05 0.00 1.00 0.00 0.00 33.01 34.04 2h45 s GLN 93 CO 0.11 -0.07 -0.11 0.99 -2.12 0.00 0.00 175.29 174.10 2h45 s THR 94 N -3.24 2.36 -1.72 -0.19 2.01 -1.26 -0.92 115.64 112.68 2h45 s THR 94 Ca 0.02 -1.38 0.00 0.00 0.31 0.00 0.00 61.69 60.64 2h45 s THR 94 Cb 0.03 -2.28 0.00 0.00 0.01 0.00 0.00 72.50 70.26 2h45 s THR 94 CO -0.07 0.10 0.43 0.35 -0.69 0.00 0.00 174.62 174.75