#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e6p s SER 2 N 0.00 5.17 -0.13 1.61 0.15 -1.26 -5.10 113.70 114.14 2e6p s SER 2 Ca 0.00 0.74 -0.30 0.00 0.70 0.00 0.00 55.95 57.09 2e6p s SER 2 Cb 0.00 -1.52 0.11 0.00 -1.71 0.00 0.00 66.02 62.90 2e6p s SER 2 CO 0.00 -1.41 0.89 -0.44 1.20 0.00 0.00 173.24 173.49 2e6p s SER 3 N -4.42 -0.47 -0.05 5.45 0.01 -1.26 -5.13 113.70 107.83 2e6p s SER 3 Ca 0.58 0.54 -0.30 0.00 1.31 0.00 0.00 55.95 58.08 2e6p s SER 3 Cb -0.11 0.42 -0.05 0.00 0.21 0.00 0.00 66.02 66.49 2e6p s SER 3 CO 0.47 -0.42 1.48 -0.83 0.41 0.00 0.00 173.24 174.35 2e6p s GLY 4 N -1.06 1.67 -0.31 3.44 0.00 -1.26 -4.91 107.32 104.90 2e6p s GLY 4 Ca -0.04 0.83 0.13 0.00 0.00 0.00 0.00 44.72 45.64 2e6p s GLY 4 CO 0.04 2.73 1.12 -1.14 0.00 0.00 0.00 173.10 175.85 2e6p n SER 5 N 6.31 3.43 -0.11 1.64 3.41 -1.26 -4.83 113.62 122.22 2e6p n SER 5 Ca 0.15 -3.08 -0.21 0.00 -0.26 0.00 0.00 58.87 55.47 2e6p n SER 5 Cb 0.43 -0.43 -0.10 0.00 -0.26 0.00 0.00 64.21 63.86 2e6p n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2e6p n SER 6 N -0.56 1.88 -4.87 4.04 3.41 -1.26 -4.97 113.62 111.29 2e6p n SER 6 Ca 0.27 0.43 -0.29 0.00 -0.26 0.00 0.00 58.87 59.02 2e6p n SER 6 Cb 0.85 -0.92 -0.05 0.00 -0.26 0.00 0.00 64.21 63.83 2e6p n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2e6p s GLY 7 N -4.92 1.97 0.01 5.00 0.00 -1.26 -5.04 107.32 103.09 2e6p s GLY 7 Ca -0.29 -0.98 -0.23 0.00 0.00 0.00 0.00 44.72 43.22 2e6p s GLY 7 CO 0.52 -0.97 1.31 -0.56 0.00 0.00 0.00 173.10 173.41 2e6p h PRO 8 N 2.85 0.21 -2.11 2.90 0.13 -1.93 -3.46 132.00 130.59 2e6p h PRO 8 Ca -0.47 -0.11 -0.04 0.00 -0.87 0.00 0.00 66.00 64.51 2e6p h PRO 8 Cb 1.17 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.09 2e6p h PRO 8 CO 0.70 0.64 0.06 0.54 -0.23 0.00 0.00 178.00 179.71 2e6p s VAL 9 N -4.29 -0.00 0.03 1.56 0.11 -1.26 -4.88 120.40 111.67 2e6p s VAL 9 Ca -0.15 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 58.92 2e6p s VAL 9 Cb 0.04 -0.94 -0.02 0.00 -1.53 0.00 0.00 36.38 33.93 2e6p s VAL 9 CO 0.72 0.00 -0.06 -1.38 -3.33 0.00 0.00 175.10 171.05 2e6p s HIS 10 N 0.54 0.53 0.41 1.54 -3.43 -1.26 -4.27 115.29 109.34 2e6p s HIS 10 Ca -0.01 -0.39 -0.24 0.00 -0.80 0.00 0.00 55.06 53.62 2e6p s HIS 10 Cb -0.05 -0.33 -0.09 0.00 -1.43 0.00 0.00 32.58 30.69 2e6p s HIS 10 CO -0.02 -0.08 1.08 0.42 -2.00 0.00 0.00 174.74 174.14 2e6p s ILE 11 N -1.05 3.57 -0.12 -5.38 1.01 -1.26 -1.82 121.20 116.16 2e6p s ILE 11 Ca -0.08 1.21 0.07 0.00 0.00 0.00 0.00 60.65 61.85 2e6p s ILE 11 Cb -0.08 -3.63 -0.12 0.00 0.01 0.00 0.00 42.46 38.64 2e6p s ILE 11 CO 0.00 0.02 -0.02 0.18 0.00 0.00 0.00 174.94 175.12 2e6p n LEU 12 N -0.11 1.04 -3.68 2.97 4.77 -1.17 -4.94 117.00 115.88 2e6p n LEU 12 Ca 0.05 -0.03 -0.12 0.00 -0.03 0.00 0.00 56.01 55.89 2e6p n LEU 12 Cb 0.49 0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.50 2e6p n LEU 12 CO 0.46 0.43 0.23 -0.55 -1.33 0.00 0.00 177.39 176.62 2e6p s SER 13 N -4.68 -0.63 1.21 -1.43 0.15 -1.26 -4.38 113.70 102.69 2e6p s SER 13 Ca -0.10 1.14 -0.17 0.00 0.70 0.00 0.00 55.95 57.52 2e6p s SER 13 Cb 0.04 1.11 0.25 0.00 -1.71 0.00 0.00 66.02 65.71 2e6p s SER 13 CO 0.40 -0.20 0.90 -0.81 1.20 0.00 0.00 173.24 174.73 2e6p n PRO 14 N 3.28 -2.79 -0.08 5.44 -0.04 -1.26 -0.49 135.00 139.05 2e6p n PRO 14 Ca -0.16 -1.45 -0.14 0.00 -0.04 0.00 0.00 63.50 61.71 2e6p n PRO 14 Cb 0.56 -1.36 -0.14 0.00 -0.04 0.00 0.00 33.50 32.53 2e6p n PRO 14 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2e6p n GLN 15 N -4.27 0.68 -4.06 0.54 6.02 -1.26 -4.98 117.38 110.04 2e6p n GLN 15 Ca 0.13 0.12 -0.10 0.00 -0.01 0.00 0.00 57.00 57.14 2e6p n GLN 15 Cb 0.49 -1.58 -0.08 0.00 1.02 0.00 0.00 30.24 30.08 2e6p n GLN 15 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 2e6p s ASP 16 N -6.13 0.09 0.04 1.08 1.47 -1.26 -5.10 116.67 106.86 2e6p s ASP 16 Ca -0.19 -1.08 -0.38 0.00 1.18 0.00 0.00 52.55 52.08 2e6p s ASP 16 Cb 0.07 0.43 -0.19 0.00 -0.34 0.00 0.00 42.92 42.88 2e6p s ASP 16 CO 0.74 -0.90 0.99 1.17 0.68 0.00 0.00 175.17 177.85 2e6p n LYS 17 N -0.24 0.03 -3.72 2.11 4.81 -1.26 -4.87 118.16 115.02 2e6p n LYS 17 Ca -0.03 0.01 -0.25 0.00 -0.87 0.00 0.00 58.31 57.16 2e6p n LYS 17 Cb 0.64 -1.43 0.01 0.00 0.02 0.00 0.00 35.03 34.26 2e6p n LYS 17 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 2e6p n VAL 18 N 1.27 0.00 -3.75 3.15 0.24 -0.94 -5.02 118.33 113.28 2e6p n VAL 18 Ca 0.20 -2.15 -0.13 0.00 -2.04 0.00 0.00 64.34 60.21 2e6p n VAL 18 Cb 0.11 -0.09 -0.14 0.00 -1.47 0.00 0.00 33.84 32.26 2e6p n VAL 18 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2e6p s SER 19 N -4.28 -0.17 0.06 -1.34 0.15 -1.26 -2.61 113.70 104.24 2e6p s SER 19 Ca 0.35 0.38 -0.06 0.00 0.70 0.00 0.00 55.95 57.32 2e6p s SER 19 Cb -0.03 0.29 -0.01 0.00 -1.71 0.00 0.00 66.02 64.56 2e6p s SER 19 CO 0.22 -0.14 0.11 -0.76 1.20 0.00 0.00 173.24 173.88 2e6p s LEU 20 N 0.98 1.77 -0.04 3.45 1.43 0.13 -4.95 118.68 121.45 2e6p s LEU 20 Ca -0.07 -0.68 -0.04 0.00 -1.03 0.00 0.00 54.13 52.31 2e6p s LEU 20 Cb -0.09 0.72 0.01 0.00 0.03 0.00 0.00 46.19 46.85 2e6p s LEU 20 CO -0.06 -0.62 0.11 -0.89 0.23 0.00 0.00 176.35 175.12 2e6p s THR 21 N -3.42 0.00 0.28 5.49 2.01 -1.26 -2.74 115.64 116.00 2e6p s THR 21 Ca 0.02 -0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.00 2e6p s THR 21 Cb 0.03 -0.17 -0.03 0.00 0.01 0.00 0.00 72.50 72.34 2e6p s THR 21 CO -0.08 -0.02 0.26 -0.36 -0.69 0.00 0.00 174.62 173.73 2e6p s PHE 22 N -0.01 1.37 0.01 4.92 0.40 -0.21 -4.96 117.98 119.49 2e6p s PHE 22 Ca -0.01 -1.46 0.02 0.00 -0.60 0.00 0.00 56.93 54.88 2e6p s PHE 22 Cb -0.01 -0.52 -0.04 0.00 0.51 0.00 0.00 43.02 42.96 2e6p s PHE 22 CO 0.00 -0.83 -0.00 0.99 0.70 0.00 0.00 175.22 176.08 2e6p s THR 23 N -3.69 4.11 0.32 0.64 2.01 -1.26 0.14 115.64 117.91 2e6p s THR 23 Ca 0.38 -0.64 -0.27 0.00 0.31 0.00 0.00 61.69 61.46 2e6p s THR 23 Cb 0.04 -2.84 -0.13 0.00 0.01 0.00 0.00 72.50 69.57 2e6p s THR 23 CO 0.20 0.36 1.06 0.41 -0.69 0.00 0.00 174.62 175.95 2e6p n THR 24 N 1.33 2.05 -2.82 -0.82 -1.04 -1.13 -2.81 114.28 109.04 2e6p n THR 24 Ca -0.14 -0.50 -0.10 0.00 -2.04 0.00 0.00 64.05 61.27 2e6p n THR 24 Cb 0.53 -1.12 0.05 0.00 -1.82 0.00 0.00 70.33 67.96 2e6p n THR 24 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2e6p n SER 25 N 1.04 -2.43 -4.27 8.00 7.64 0.15 -4.83 113.62 118.93 2e6p n SER 25 Ca 0.09 -0.32 -0.15 0.00 1.01 0.00 0.00 58.87 59.50 2e6p n SER 25 Cb 0.34 -2.96 -0.10 0.00 -1.01 0.00 0.00 64.21 60.47 2e6p n SER 25 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2e6p s GLU 26 N -4.90 1.16 -0.35 1.43 0.41 -1.12 -4.80 118.70 110.53 2e6p s GLU 26 Ca 0.05 -1.55 -0.17 0.00 -0.41 0.00 0.00 54.97 52.89 2e6p s GLU 26 Cb -0.02 -0.45 -0.00 0.00 -1.78 0.00 0.00 34.13 31.88 2e6p s GLU 26 CO 0.39 -0.07 0.47 0.50 -0.49 0.00 0.00 175.26 176.06 2e6p s ARG 27 N -3.86 3.58 -0.02 1.61 3.52 -1.26 -0.62 118.95 121.89 2e6p s ARG 27 Ca 0.23 -0.26 0.01 0.00 -0.13 0.00 0.00 55.73 55.58 2e6p s ARG 27 Cb 0.05 -3.82 -0.03 0.00 -1.56 0.00 0.00 34.95 29.59 2e6p s ARG 27 CO 0.04 -0.62 -0.01 0.08 -0.81 0.00 0.00 175.30 173.98 2e6p s VAL 28 N 2.28 4.10 -0.25 7.11 1.01 -0.87 -4.94 120.40 128.85 2e6p s VAL 28 Ca 0.16 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 2e6p s VAL 28 Cb -0.16 -2.80 0.11 0.00 0.00 0.00 0.00 36.38 33.53 2e6p s VAL 28 CO 0.13 0.43 0.24 -0.69 0.00 0.00 0.00 175.10 175.21 2e6p s VAL 29 N -1.03 -0.33 0.55 2.92 1.01 -1.26 0.38 120.40 122.64 2e6p s VAL 29 Ca 0.18 -0.33 -0.09 0.00 0.00 0.00 0.00 61.98 61.74 2e6p s VAL 29 Cb -0.11 -0.83 0.13 0.00 0.00 0.00 0.00 36.38 35.56 2e6p s VAL 29 CO 0.08 -0.36 0.63 0.18 0.00 0.00 0.00 175.10 175.63 2e6p n LEU 30 N 5.31 0.00 -3.63 3.92 4.77 -0.16 -4.91 117.00 122.30 2e6p n LEU 30 Ca -0.04 -0.68 -0.11 0.00 -0.03 0.00 0.00 56.01 55.15 2e6p n LEU 30 Cb 0.48 -0.51 -0.07 0.00 -2.33 0.00 0.00 43.42 40.98 2e6p n LEU 30 CO 0.05 -1.23 0.45 -0.89 -1.33 0.00 0.00 177.39 174.43 2e6p s THR 31 N -2.28 0.00 -0.06 -5.08 2.01 -1.26 -4.10 115.64 104.86 2e6p s THR 31 Ca 0.37 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 62.20 2e6p s THR 31 Cb -0.02 -1.00 0.04 0.00 0.01 0.00 0.00 72.50 71.53 2e6p s THR 31 CO 0.27 0.00 0.41 0.00 -0.69 0.00 0.00 174.62 174.61 2e6p s GLU 33 N -0.84 1.61 0.32 0.00 2.12 0.35 -0.01 118.70 122.27 2e6p s GLU 33 Ca -0.09 -1.42 0.04 0.00 0.36 0.00 0.00 54.97 53.86 2e6p s GLU 33 Cb -0.04 -1.93 -0.04 0.00 0.26 0.00 0.00 34.13 32.38 2e6p s GLU 33 CO 0.04 0.42 0.16 -0.51 -0.54 0.00 0.00 175.26 174.84 2e6p s LEU 34 N -2.53 1.74 -0.40 2.70 1.43 0.09 -3.04 118.68 118.68 2e6p s LEU 34 Ca 0.20 -1.59 0.05 0.00 -1.03 0.00 0.00 54.13 51.76 2e6p s LEU 34 Cb -0.09 0.17 0.55 0.00 0.03 0.00 0.00 46.19 46.85 2e6p s LEU 34 CO 0.10 -0.90 1.67 -0.24 0.23 0.00 0.00 176.35 177.21 2e6p n SER 35 N -1.04 3.78 -3.65 2.29 2.88 -0.75 -4.76 113.62 112.37 2e6p n SER 35 Ca 0.01 -3.73 -0.03 0.00 -1.33 0.00 0.00 58.87 53.79 2e6p n SER 35 Cb 0.65 -0.73 -0.05 0.00 -0.75 0.00 0.00 64.21 63.33 2e6p n SER 35 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2e6p s ARG 36 N -3.38 0.58 0.36 -1.46 0.52 -1.26 -4.71 118.95 109.60 2e6p s ARG 36 Ca 0.52 1.39 -0.26 0.00 -0.52 0.00 0.00 55.73 56.86 2e6p s ARG 36 Cb 0.45 0.72 -0.09 0.00 0.52 0.00 0.00 34.95 36.55 2e6p s ARG 36 CO 0.04 -0.20 1.05 0.08 0.02 0.00 0.00 175.30 176.28 2e6p s VAL 37 N 2.68 3.73 -1.34 3.52 1.01 -1.26 -3.76 120.40 124.99 2e6p s VAL 37 Ca -0.06 1.44 -0.03 0.00 0.00 0.00 0.00 61.98 63.33 2e6p s VAL 37 Cb -0.11 -3.80 -0.00 0.00 0.00 0.00 0.00 36.38 32.46 2e6p s VAL 37 CO -0.19 0.12 0.55 0.47 0.00 0.00 0.00 175.10 176.06 2e6p n ASP 38 N 0.35 -1.32 -4.76 3.32 8.00 -1.26 -4.88 116.55 116.01 2e6p n ASP 38 Ca 0.03 -0.96 -0.36 0.00 0.71 0.00 0.00 54.79 54.22 2e6p n ASP 38 Cb 0.48 -3.39 -0.08 0.00 -0.02 0.00 0.00 41.12 38.11 2e6p n ASP 38 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2e6p s PHE 39 N -3.80 3.33 0.37 1.24 5.36 -1.25 -5.09 117.98 118.14 2e6p s PHE 39 Ca 0.07 0.32 -0.26 0.00 -0.96 0.00 0.00 56.93 56.10 2e6p s PHE 39 Cb -0.03 -1.85 -0.09 0.00 -0.34 0.00 0.00 43.02 40.71 2e6p s PHE 39 CO 0.86 0.56 1.20 -1.25 -1.46 0.00 0.00 175.22 175.13 2e6p s PRO 40 N -0.90 4.17 0.27 10.12 0.04 -1.26 -5.04 135.00 142.40 2e6p s PRO 40 Ca 0.14 1.93 -0.17 0.00 0.04 0.00 0.00 61.00 62.94 2e6p s PRO 40 Cb -0.12 -2.81 0.01 0.00 0.04 0.00 0.00 34.50 31.62 2e6p s PRO 40 CO 0.03 -0.25 0.61 0.00 0.04 0.00 0.00 177.00 177.42 2e6p s ALA 41 N -1.32 -0.70 -0.19 8.56 0.00 -1.26 -4.59 121.76 122.26 2e6p s ALA 41 Ca 0.54 -0.62 -0.04 0.00 0.00 0.00 0.00 51.96 51.84 2e6p s ALA 41 Cb -0.33 0.95 0.09 0.00 0.00 0.00 0.00 23.12 23.83 2e6p s ALA 41 CO 0.42 -0.95 0.26 0.99 0.00 0.00 0.00 175.76 176.49 2e6p s THR 42 N -3.88 -0.40 0.22 0.00 2.01 -0.93 -5.02 115.64 107.63 2e6p s THR 42 Ca 0.17 0.02 -0.30 0.00 0.31 0.00 0.00 61.69 61.89 2e6p s THR 42 Cb -0.03 -0.63 -0.09 0.00 0.01 0.00 0.00 72.50 71.76 2e6p s THR 42 CO 0.08 -0.09 1.26 0.26 -0.69 0.00 0.00 174.62 175.45 2e6p s TRP 43 N 2.39 3.30 -0.04 4.92 0.52 -1.26 -2.52 118.94 126.25 2e6p s TRP 43 Ca 0.06 1.34 0.04 0.00 0.02 0.00 0.00 56.10 57.56 2e6p s TRP 43 Cb -0.15 -3.54 -0.00 0.00 -1.15 0.00 0.00 33.47 28.63 2e6p s TRP 43 CO -0.12 -1.59 -0.17 0.71 0.02 0.00 0.00 176.95 175.80 2e6p s TYR 44 N -0.18 1.69 -0.09 -1.98 2.02 0.11 -2.64 117.35 116.28 2e6p s TYR 44 Ca 0.54 -0.47 0.03 0.00 -0.37 0.00 0.00 57.07 56.79 2e6p s TYR 44 Cb -0.35 -1.14 0.01 0.00 -0.40 0.00 0.00 41.96 40.08 2e6p s TYR 44 CO 0.40 -0.16 -0.17 0.21 -1.57 0.00 0.00 175.55 174.26 2e6p s LYS 45 N 0.01 2.35 -1.61 -0.62 2.20 -0.16 -0.44 119.74 121.47 2e6p s LYS 45 Ca -0.03 -0.63 -0.15 0.00 -0.36 0.00 0.00 55.97 54.80 2e6p s LYS 45 Cb -0.11 -1.87 0.11 0.00 -1.51 0.00 0.00 37.83 34.45 2e6p s LYS 45 CO 0.02 0.06 0.83 -3.47 -0.36 0.00 0.00 175.35 172.43 2e6p n ASP 46 N 3.81 -3.54 -3.06 1.43 2.03 -0.92 -0.53 116.55 115.76 2e6p n ASP 46 Ca -0.21 -0.92 -0.20 0.00 0.52 0.00 0.00 54.79 53.98 2e6p n ASP 46 Cb 0.52 -3.24 0.06 0.00 -0.72 0.00 0.00 41.12 37.75 2e6p n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2e6p n GLY 47 N -1.57 -0.32 3.14 0.27 0.00 -1.26 -5.01 105.19 100.44 2e6p n GLY 47 Ca 0.02 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 2e6p n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2e6p s GLN 48 N -6.04 0.28 0.40 1.61 -0.21 0.31 -5.14 119.66 110.86 2e6p s GLN 48 Ca 0.47 0.62 -0.26 0.00 0.02 0.00 0.00 55.36 56.20 2e6p s GLN 48 Cb -0.21 -0.07 -0.11 0.00 1.00 0.00 0.00 33.01 33.63 2e6p s GLN 48 CO 0.58 -0.15 1.26 1.17 -2.12 0.00 0.00 175.29 176.03 2e6p n LYS 49 N 4.16 1.96 -3.45 2.91 4.81 -1.26 -0.99 118.16 126.30 2e6p n LYS 49 Ca -0.24 0.70 -0.28 0.00 -0.87 0.00 0.00 58.31 57.61 2e6p n LYS 49 Cb 0.54 -2.35 -0.03 0.00 0.02 0.00 0.00 35.03 33.21 2e6p n LYS 49 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2e6p s VAL 50 N -1.17 5.08 -0.19 3.15 -7.23 -1.08 -4.83 120.40 114.12 2e6p s VAL 50 Ca 0.59 -0.07 -0.06 0.00 -1.81 0.00 0.00 61.98 60.63 2e6p s VAL 50 Cb -0.53 -3.73 -0.03 0.00 0.56 0.00 0.00 36.38 32.65 2e6p s VAL 50 CO 0.59 -0.27 0.01 -1.83 -0.31 0.00 0.00 175.10 173.29 2e6p s GLU 51 N -3.48 3.71 -0.38 4.82 -1.05 -1.26 -4.96 118.70 116.10 2e6p s GLU 51 Ca 0.42 -0.48 -0.29 0.00 -0.15 0.00 0.00 54.97 54.48 2e6p s GLU 51 Cb -0.11 -3.10 0.01 0.00 -0.44 0.00 0.00 34.13 30.49 2e6p s GLU 51 CO 0.30 0.09 1.34 -1.21 0.95 0.00 0.00 175.26 176.73 2e6p s GLU 52 N 0.80 3.71 0.37 -4.83 2.02 -1.26 -4.57 118.70 114.94 2e6p s GLU 52 Ca 0.01 1.00 -0.14 0.00 0.02 0.00 0.00 54.97 55.86 2e6p s GLU 52 Cb -0.14 -3.96 0.04 0.00 0.10 0.00 0.00 34.13 30.17 2e6p s GLU 52 CO 0.02 -1.39 0.73 0.45 0.02 0.00 0.00 175.26 175.09 2e6p s SER 53 N 3.36 0.12 0.32 -0.19 0.15 -0.59 -4.97 113.70 111.91 2e6p s SER 53 Ca 0.58 -1.14 0.10 0.00 0.70 0.00 0.00 55.95 56.18 2e6p s SER 53 Cb -0.14 0.80 0.88 0.00 -1.71 0.00 0.00 66.02 65.86 2e6p s SER 53 CO 0.29 -1.58 1.74 1.05 1.20 0.00 0.00 173.24 175.94 2e6p h GLU 54 N 2.02 0.58 0.00 5.44 4.11 -2.02 0.83 114.58 125.55 2e6p h GLU 54 Ca -0.30 -0.04 -0.04 0.00 0.07 0.00 0.00 59.36 59.05 2e6p h GLU 54 Cb 1.25 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2e6p h GLU 54 CO 0.38 0.39 -0.19 -0.07 0.07 0.00 0.00 179.01 179.59 2e6p h LEU 55 N 0.60 0.00 -7.31 3.06 3.38 -1.95 -3.40 115.31 109.68 2e6p h LEU 55 Ca 0.63 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 58.03 2e6p h LEU 55 Cb 1.19 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.54 2e6p h LEU 55 CO -0.44 0.19 -0.76 -0.22 0.09 0.00 0.00 178.44 177.29 2e6p s LEU 56 N -6.72 2.03 -0.12 1.67 0.20 0.29 -4.32 118.68 111.70 2e6p s LEU 56 Ca 0.00 -1.28 -0.06 0.00 0.69 0.00 0.00 54.13 53.48 2e6p s LEU 56 Cb 0.10 -0.86 -0.04 0.00 -0.43 0.00 0.00 46.19 44.96 2e6p s LEU 56 CO 0.62 -0.34 0.09 -0.69 -0.29 0.00 0.00 176.35 175.74 2e6p s VAL 57 N 1.63 5.06 -0.10 1.68 1.01 -0.96 -1.54 120.40 127.19 2e6p s VAL 57 Ca 0.03 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.06 2e6p s VAL 57 Cb -0.18 -3.20 0.02 0.00 0.00 0.00 0.00 36.38 33.02 2e6p s VAL 57 CO -0.15 0.58 -0.10 -0.69 0.00 0.00 0.00 175.10 174.75 2e6p s VAL 58 N -0.69 1.09 0.31 2.92 1.01 -1.26 -1.20 120.40 122.58 2e6p s VAL 58 Ca 0.12 -0.38 0.11 0.00 0.00 0.00 0.00 61.98 61.83 2e6p s VAL 58 Cb -0.12 -1.06 -0.06 0.00 0.00 0.00 0.00 36.38 35.15 2e6p s VAL 58 CO 0.03 0.37 -0.12 -0.54 0.00 0.00 0.00 175.10 174.83 2e6p s LYS 59 N 1.29 1.82 -0.13 2.72 -0.14 -1.10 -5.05 119.74 119.15 2e6p s LYS 59 Ca -0.03 -1.81 -0.04 0.00 -1.36 0.00 0.00 55.97 52.73 2e6p s LYS 59 Cb -0.14 -1.79 0.06 0.00 -1.68 0.00 0.00 37.83 34.28 2e6p s LYS 59 CO -0.04 0.23 0.11 1.41 -0.76 0.00 0.00 175.35 176.31 2e6p s MET 60 N -3.58 0.04 -0.84 1.68 1.75 -1.26 -3.26 119.30 113.83 2e6p s MET 60 Ca 0.32 0.16 0.01 0.00 -1.25 0.00 0.00 55.69 54.92 2e6p s MET 60 Cb -0.02 -1.20 0.23 0.00 2.84 0.00 0.00 34.83 36.68 2e6p s MET 60 CO 0.16 -0.53 0.80 -0.25 -0.65 0.00 0.00 175.02 174.55 2e6p n ASP 61 N 5.30 4.15 -3.05 1.11 9.92 0.16 -4.91 116.55 129.21 2e6p n ASP 61 Ca -0.05 -3.24 0.00 0.00 -0.53 0.00 0.00 54.79 50.97 2e6p n ASP 61 Cb 0.49 -0.95 0.00 0.00 -0.64 0.00 0.00 41.12 40.02 2e6p n ASP 61 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2e6p n GLY 62 N 1.86 0.00 2.36 0.44 0.00 -1.26 -2.65 105.19 105.95 2e6p n GLY 62 Ca 0.23 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.10 2e6p n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2e6p n ARG 63 N 1.66 -1.16 -3.73 1.61 1.74 -1.25 -4.91 116.66 110.63 2e6p n ARG 63 Ca 0.00 0.89 -0.29 0.00 -0.77 0.00 0.00 57.85 57.68 2e6p n ARG 63 Cb 0.33 -5.15 -0.16 0.00 -1.02 0.00 0.00 32.46 26.46 2e6p n ARG 63 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2e6p s LYS 64 N -4.09 0.68 -0.27 5.56 1.02 -1.08 -0.73 119.74 120.82 2e6p s LYS 64 Ca 0.00 -0.67 -0.06 0.00 0.02 0.00 0.00 55.97 55.26 2e6p s LYS 64 Cb 0.00 -2.01 0.00 0.00 -0.52 0.00 0.00 37.83 35.31 2e6p s LYS 64 CO 0.00 -0.79 0.04 -1.01 -0.92 0.00 0.00 175.35 172.67 2e6p s HIS 65 N 1.78 3.10 0.02 3.18 3.76 0.99 -0.67 115.29 127.45 2e6p s HIS 65 Ca 0.03 -0.99 0.03 0.00 -0.15 0.00 0.00 55.06 53.99 2e6p s HIS 65 Cb -0.17 -2.20 -0.02 0.00 1.11 0.00 0.00 32.58 31.30 2e6p s HIS 65 CO -0.16 -0.57 -0.11 -0.98 -0.85 0.00 0.00 174.74 172.07 2e6p s ARG 66 N 1.49 0.77 -0.21 1.40 1.70 -1.20 -0.67 118.95 122.22 2e6p s ARG 66 Ca 0.03 -0.58 -0.04 0.00 -0.47 0.00 0.00 55.73 54.68 2e6p s ARG 66 Cb -0.16 -0.72 -0.01 0.00 -0.57 0.00 0.00 34.95 33.48 2e6p s ARG 66 CO 0.01 0.18 -0.04 -1.17 -1.08 0.00 0.00 175.30 173.20 2e6p s LEU 67 N -0.84 2.99 0.11 -1.89 0.20 -1.26 -2.70 118.68 115.29 2e6p s LEU 67 Ca 0.00 -0.33 0.02 0.00 0.69 0.00 0.00 54.13 54.52 2e6p s LEU 67 Cb -0.06 -1.75 -0.04 0.00 -0.43 0.00 0.00 46.19 43.90 2e6p s LEU 67 CO 0.00 0.02 0.19 -0.63 -0.29 0.00 0.00 176.35 175.65 2e6p s ILE 68 N 1.23 5.03 -0.06 6.68 1.01 -0.34 -0.98 121.20 133.76 2e6p s ILE 68 Ca 0.03 -0.69 -0.02 0.00 0.00 0.00 0.00 60.65 59.97 2e6p s ILE 68 Cb -0.14 -3.51 0.03 0.00 0.01 0.00 0.00 42.46 38.84 2e6p s ILE 68 CO -0.01 0.02 0.05 -0.76 0.00 0.00 0.00 174.94 174.24 2e6p s LEU 69 N -2.83 0.26 0.19 2.97 1.43 0.16 -2.26 118.68 118.59 2e6p s LEU 69 Ca 0.33 -0.03 -0.05 0.00 -1.03 0.00 0.00 54.13 53.34 2e6p s LEU 69 Cb -0.12 -0.21 0.10 0.00 0.03 0.00 0.00 46.19 45.99 2e6p s LEU 69 CO 0.26 -0.25 1.53 1.55 0.23 0.00 0.00 176.35 179.67 2e6p h PRO 70 N 8.41 0.72 -3.34 1.29 0.13 -1.81 -2.30 132.00 135.09 2e6p h PRO 70 Ca -0.14 -0.38 -0.57 0.00 -0.87 0.00 0.00 66.00 64.04 2e6p h PRO 70 Cb 1.12 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.87 2e6p h PRO 70 CO 0.19 1.00 -0.76 -2.00 -0.23 0.00 0.00 178.00 176.19 2e6p s GLU 71 N -4.28 0.59 -0.77 0.86 2.12 -1.26 -4.38 118.70 111.58 2e6p s GLU 71 Ca -0.09 -0.96 -0.27 0.00 0.36 0.00 0.00 54.97 54.02 2e6p s GLU 71 Cb 0.12 -1.78 0.03 0.00 0.26 0.00 0.00 34.13 32.76 2e6p s GLU 71 CO 0.85 -1.00 1.33 0.00 -0.54 0.00 0.00 175.26 175.89 2e6p s ALA 72 N 1.71 2.72 0.73 6.30 0.00 0.20 -4.85 121.76 128.57 2e6p s ALA 72 Ca 0.10 -1.45 -0.01 0.00 0.00 0.00 0.00 51.96 50.60 2e6p s ALA 72 Cb -0.17 -4.29 0.14 0.00 0.00 0.00 0.00 23.12 18.79 2e6p s ALA 72 CO -0.28 -3.36 0.95 1.63 0.00 0.00 0.00 175.76 174.70 2e6p n LYS 73 N 9.31 -0.11 0.20 0.00 5.02 -1.26 0.30 118.16 131.62 2e6p n LYS 73 Ca 0.07 -2.52 0.05 0.00 -2.02 0.00 0.00 58.31 53.90 2e6p n LYS 73 Cb 0.49 -0.64 0.42 0.00 -0.02 0.00 0.00 35.03 35.28 2e6p n LYS 73 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2e6p h VAL 74 N -0.63 1.01 -0.43 -0.18 2.07 -1.95 -3.00 116.25 113.14 2e6p h VAL 74 Ca -0.31 -1.24 -0.07 0.00 0.82 0.00 0.00 66.70 65.90 2e6p h VAL 74 Cb 1.14 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.61 2e6p h VAL 74 CO 0.33 0.33 0.00 1.56 0.02 0.00 0.00 177.57 179.81 2e6p h GLN 75 N 0.00 0.75 0.00 1.57 4.20 -1.94 -2.24 115.11 117.45 2e6p h GLN 75 Ca -0.00 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.47 2e6p h GLN 75 Cb 0.69 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.40 2e6p h GLN 75 CO 0.04 0.82 0.00 -3.47 -0.67 0.00 0.00 178.83 175.55 2e6p n ASP 76 N -4.42 0.23 -4.56 1.46 2.03 -1.13 -4.40 116.55 105.76 2e6p n ASP 76 Ca -0.00 0.61 -0.26 0.00 0.52 0.00 0.00 54.79 55.65 2e6p n ASP 76 Cb 0.29 -0.64 -0.05 0.00 -0.72 0.00 0.00 41.12 40.00 2e6p n ASP 76 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2e6p s SER 77 N -3.43 5.06 0.00 1.67 0.01 -0.84 -4.74 113.70 111.42 2e6p s SER 77 Ca -0.01 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.64 2e6p s SER 77 Cb 0.03 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2e6p s SER 77 CO 0.09 -2.82 0.00 0.61 0.41 0.00 0.00 173.24 171.53 2e6p n GLY 78 N 6.83 3.37 3.11 3.44 0.00 -0.42 -4.85 105.19 116.67 2e6p n GLY 78 Ca 0.40 -0.28 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 2e6p n GLY 78 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2e6p s GLU 79 N 3.56 1.79 0.32 1.61 2.56 -1.26 0.04 118.70 127.33 2e6p s GLU 79 Ca 0.00 -0.57 0.07 0.00 0.00 0.00 0.00 54.97 54.48 2e6p s GLU 79 Cb 0.00 -1.53 -0.03 0.00 2.00 0.00 0.00 34.13 34.57 2e6p s GLU 79 CO 0.00 0.19 0.26 -0.06 -0.56 0.00 0.00 175.26 175.09 2e6p s PHE 80 N 0.19 2.93 -0.24 5.30 0.40 -0.21 -2.18 117.98 124.17 2e6p s PHE 80 Ca -0.07 -0.26 -0.15 0.00 -0.60 0.00 0.00 56.93 55.85 2e6p s PHE 80 Cb -0.13 -1.69 0.07 0.00 0.51 0.00 0.00 43.02 41.78 2e6p s PHE 80 CO 0.03 0.27 0.60 -2.00 0.70 0.00 0.00 175.22 174.82 2e6p s GLU 81 N -3.95 0.62 -1.14 0.44 2.12 0.41 -1.32 118.70 115.87 2e6p s GLU 81 Ca 0.39 1.05 -0.09 0.00 0.36 0.00 0.00 54.97 56.68 2e6p s GLU 81 Cb -0.06 0.12 0.25 0.00 0.26 0.00 0.00 34.13 34.70 2e6p s GLU 81 CO 0.26 -0.14 1.31 0.00 -0.54 0.00 0.00 175.26 176.14 2e6p n ARG 83 N 3.13 2.72 -4.19 0.00 0.00 -1.05 -4.04 116.66 113.23 2e6p n ARG 83 Ca 0.28 0.99 -0.11 0.00 -0.00 0.00 0.00 57.85 59.01 2e6p n ARG 83 Cb 0.38 -2.88 -0.10 0.00 0.00 0.00 0.00 32.46 29.86 2e6p n ARG 83 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 2e6p s THR 84 N 2.96 0.27 -1.15 5.15 -1.32 -0.94 -2.19 115.64 118.42 2e6p s THR 84 Ca 0.84 -1.94 -0.24 0.00 -1.21 0.00 0.00 61.69 59.13 2e6p s THR 84 Cb -0.50 -2.13 -0.14 0.00 -1.51 0.00 0.00 72.50 68.21 2e6p s THR 84 CO 0.39 -0.41 2.01 -0.70 -2.21 0.00 0.00 174.62 173.70 2e6p s GLU 85 N -4.02 1.95 0.00 7.08 2.56 -1.26 -3.42 118.70 121.59 2e6p s GLU 85 Ca 0.26 -0.87 0.00 0.00 0.00 0.00 0.00 54.97 54.36 2e6p s GLU 85 Cb 0.07 -5.14 0.00 0.00 2.00 0.00 0.00 34.13 31.06 2e6p s GLU 85 CO 0.04 -4.61 0.00 0.41 -0.56 0.00 0.00 175.26 170.54 2e6p n GLY 86 N 5.94 1.01 2.50 -1.50 0.00 -1.26 -4.05 105.19 107.83 2e6p n GLY 86 Ca 0.43 -0.08 -0.17 0.00 0.00 0.00 0.00 46.02 46.20 2e6p n GLY 86 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2e6p n VAL 87 N 0.00 0.00 -3.75 1.61 0.24 -1.22 -5.08 118.33 110.13 2e6p n VAL 87 Ca 0.00 -1.84 -0.12 0.00 -2.04 0.00 0.00 64.34 60.34 2e6p n VAL 87 Cb 0.00 0.80 -0.07 0.00 -1.47 0.00 0.00 33.84 33.10 2e6p n VAL 87 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2e6p s SER 88 N -2.84 -0.14 0.44 -1.34 0.01 -1.26 -2.21 113.70 106.35 2e6p s SER 88 Ca 0.24 -0.13 0.08 0.00 1.31 0.00 0.00 55.95 57.44 2e6p s SER 88 Cb 0.01 0.35 -0.00 0.00 0.21 0.00 0.00 66.02 66.59 2e6p s SER 88 CO 0.17 -0.59 0.44 0.00 0.41 0.00 0.00 173.24 173.66 2e6p s ALA 89 N -2.35 4.22 -0.06 1.44 0.00 -1.26 -4.92 121.76 118.83 2e6p s ALA 89 Ca -0.06 -1.81 -0.03 0.00 0.00 0.00 0.00 51.96 50.06 2e6p s ALA 89 Cb -0.02 -1.09 0.04 0.00 0.00 0.00 0.00 23.12 22.05 2e6p s ALA 89 CO -0.02 -0.31 0.11 -0.06 0.00 0.00 0.00 175.76 175.48 2e6p s PHE 90 N -2.51 -0.06 -0.25 0.00 0.40 -1.26 -3.57 117.98 110.73 2e6p s PHE 90 Ca 0.48 0.43 0.02 0.00 -0.60 0.00 0.00 56.93 57.27 2e6p s PHE 90 Cb -0.04 -0.35 0.05 0.00 0.51 0.00 0.00 43.02 43.19 2e6p s PHE 90 CO 0.29 -0.23 -0.11 -0.06 0.70 0.00 0.00 175.22 175.81 2e6p s PHE 91 N 2.16 3.16 -0.83 0.36 0.08 -0.43 -2.22 117.98 120.26 2e6p s PHE 91 Ca 0.03 -2.09 -0.24 0.00 0.12 0.00 0.00 56.93 54.75 2e6p s PHE 91 Cb -0.12 -1.96 0.06 0.00 -0.57 0.00 0.00 43.02 40.43 2e6p s PHE 91 CO -0.04 -0.85 1.23 0.20 -0.10 0.00 0.00 175.22 175.66 2e6p s GLY 92 N 1.17 1.25 -0.02 4.36 0.00 -1.07 -1.05 107.32 111.96 2e6p s GLY 92 Ca -0.05 -1.93 -0.07 0.00 0.00 0.00 0.00 44.72 42.67 2e6p s GLY 92 CO -0.06 2.43 0.24 0.14 0.00 0.00 0.00 173.10 175.85 2e6p s VAL 93 N 4.68 5.34 -0.20 1.40 1.01 0.11 -0.70 120.40 132.05 2e6p s VAL 93 Ca 0.35 0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.48 2e6p s VAL 93 Cb -0.07 -3.54 0.10 0.00 0.00 0.00 0.00 36.38 32.86 2e6p s VAL 93 CO 0.03 0.43 0.27 -0.89 0.00 0.00 0.00 175.10 174.95 2e6p s THR 94 N -1.23 -0.42 -0.45 3.92 2.01 -1.11 -1.30 115.64 117.06 2e6p s THR 94 Ca 0.25 -0.01 -0.18 0.00 0.31 0.00 0.00 61.69 62.06 2e6p s THR 94 Cb -0.13 -0.66 0.03 0.00 0.01 0.00 0.00 72.50 71.75 2e6p s THR 94 CO 0.14 -0.11 0.51 -0.69 -0.69 0.00 0.00 174.62 173.78 2e6p s VAL 95 N 2.41 5.01 -0.25 3.82 1.01 -1.26 -1.04 120.40 130.10 2e6p s VAL 95 Ca 0.07 -0.38 -0.13 0.00 0.00 0.00 0.00 61.98 61.55 2e6p s VAL 95 Cb -0.15 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 2e6p s VAL 95 CO -0.12 -0.55 0.26 -1.10 0.00 0.00 0.00 175.10 173.58 2e6p s GLN 96 N 2.31 4.05 0.36 2.72 -0.21 0.12 -4.66 119.66 124.35 2e6p s GLN 96 Ca 0.14 -0.13 -0.28 0.00 0.02 0.00 0.00 55.36 55.11 2e6p s GLN 96 Cb -0.18 -3.59 -0.11 0.00 1.00 0.00 0.00 33.01 30.13 2e6p s GLN 96 CO 0.13 -0.08 1.46 0.16 -2.12 0.00 0.00 175.29 174.84 2e6p s ASP 97 N 1.33 6.42 0.97 5.90 -4.77 -1.26 -2.83 116.67 122.43 2e6p s ASP 97 Ca 0.11 2.98 0.00 0.00 -3.30 0.00 0.00 52.55 52.34 2e6p s ASP 97 Cb -0.15 -2.66 0.00 0.00 -1.09 0.00 0.00 42.92 39.02 2e6p s ASP 97 CO 0.08 -0.82 0.00 -0.81 0.70 0.00 0.00 175.17 174.32 2e6p n PRO 98 N 0.63 -0.96 -3.89 2.11 -0.04 -1.26 -4.89 135.00 126.69 2e6p n PRO 98 Ca 0.01 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.40 2e6p n PRO 98 Cb 0.40 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.83 2e6p n PRO 98 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2e6p s SER 99 N -1.51 -0.22 0.42 3.54 0.01 -1.26 -5.09 113.70 109.59 2e6p s SER 99 Ca 0.00 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.57 2e6p s SER 99 Cb 0.00 0.69 0.00 0.00 0.21 0.00 0.00 66.02 66.92 2e6p s SER 99 CO 0.00 -1.28 0.00 0.61 0.41 0.00 0.00 173.24 172.98 2e6p n GLY 100 N -0.44 -3.93 0.00 3.44 0.00 -1.26 -4.48 105.19 98.52 2e6p n GLY 100 Ca -0.04 -0.91 0.07 0.00 0.00 0.00 0.00 46.02 45.14 2e6p n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2e6p n PRO 101 N -1.80 0.49 -0.30 1.61 -0.04 -1.26 -4.12 135.00 129.58 2e6p n PRO 101 Ca 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.38 2e6p n PRO 101 Cb 0.22 -1.42 -0.07 0.00 -0.04 0.00 0.00 33.50 32.19 2e6p n PRO 101 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2e6p n SER 102 N -0.92 -0.76 -4.58 3.54 2.88 -1.26 -3.75 113.62 108.76 2e6p n SER 102 Ca 0.10 1.33 -0.42 0.00 -1.33 0.00 0.00 58.87 58.55 2e6p n SER 102 Cb 0.05 -0.19 -0.06 0.00 -0.75 0.00 0.00 64.21 63.26 2e6p n SER 102 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2e6p s SER 103 N -5.24 6.49 0.00 -3.46 0.01 -1.26 -5.24 113.70 105.01 2e6p s SER 103 Ca -0.09 0.29 0.09 0.00 1.31 0.00 0.00 55.95 57.55 2e6p s SER 103 Cb 0.08 -2.35 0.07 0.00 0.21 0.00 0.00 66.02 64.02 2e6p s SER 103 CO 0.45 -0.62 0.78 0.61 0.41 0.00 0.00 173.24 174.86