#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 4.30 0.19 1.61 0.15 -1.26 -4.92 113.70 113.77 2e6p s SER 2 Ca 0.00 2.10 -0.13 0.00 0.70 0.00 0.00 55.95 58.63 2e6p s SER 2 Cb 0.00 -2.56 0.21 0.00 -1.71 0.00 0.00 66.02 61.96 2e6p s SER 2 CO 0.00 -2.18 1.69 -1.28 1.20 0.00 0.00 173.24 172.67 2e6p h SER 3 N -0.67 -0.18 0.00 5.45 0.87 -2.10 -3.46 113.55 113.47 2e6p h SER 3 Ca -0.46 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 2e6p h SER 3 Cb 1.26 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.43 2e6p h SER 3 CO 0.50 -0.06 0.00 0.61 -0.53 0.00 0.00 176.83 177.35 2e6p n GLY 4 N -1.32 2.04 3.55 5.77 0.00 -1.26 -4.95 105.19 109.02 2e6p n GLY 4 Ca 0.06 -0.17 -0.57 0.00 0.00 0.00 0.00 46.02 45.34 2e6p n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2e6p n SER 5 N 5.08 0.69 -4.15 1.61 3.41 -1.26 -4.91 113.62 114.10 2e6p n SER 5 Ca 0.00 1.14 -0.38 0.00 -0.26 0.00 0.00 58.87 59.37 2e6p n SER 5 Cb 0.00 -1.02 -0.09 0.00 -0.26 0.00 0.00 64.21 62.83 2e6p n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2e6p s SER 6 N 0.35 5.45 0.39 4.04 0.01 -1.26 -5.03 113.70 117.65 2e6p s SER 6 Ca 0.89 -2.35 0.00 0.00 1.31 0.00 0.00 55.95 55.80 2e6p s SER 6 Cb -1.16 -1.91 0.00 0.00 0.21 0.00 0.00 66.02 63.17 2e6p s SER 6 CO 0.54 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 174.29 2e6p n GLY 7 N 4.22 -2.17 0.06 3.44 0.00 -1.26 -4.53 105.19 104.94 2e6p n GLY 7 Ca 0.01 -1.13 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 2e6p n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e6p h PRO 8 N -1.37 -0.02 -1.77 1.61 0.13 -2.04 -3.47 132.00 125.08 2e6p h PRO 8 Ca -0.01 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.16 2e6p h PRO 8 Cb 1.34 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.24 2e6p h PRO 8 CO 0.02 0.46 0.26 0.54 -0.23 0.00 0.00 178.00 179.05 2e6p s VAL 9 N -4.24 0.00 -0.03 1.56 0.11 -1.26 -4.84 120.40 111.69 2e6p s VAL 9 Ca -0.16 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 58.90 2e6p s VAL 9 Cb 0.02 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.89 2e6p s VAL 9 CO 0.66 0.00 -0.03 -1.38 -3.33 0.00 0.00 175.10 171.02 2e6p s HIS 10 N 0.94 0.59 0.61 1.54 -3.43 -1.26 -4.65 115.29 109.62 2e6p s HIS 10 Ca -0.04 -0.13 -0.18 0.00 -0.80 0.00 0.00 55.06 53.91 2e6p s HIS 10 Cb -0.05 -0.55 -0.06 0.00 -1.43 0.00 0.00 32.58 30.50 2e6p s HIS 10 CO -0.11 -0.15 0.79 -0.89 -2.00 0.00 0.00 174.74 172.38 2e6p n ILE 11 N 3.94 3.15 -0.03 -5.38 5.41 -1.26 -3.54 119.36 121.64 2e6p n ILE 11 Ca -0.25 -0.49 -0.04 0.00 1.00 0.00 0.00 62.75 62.97 2e6p n ILE 11 Cb 0.51 -0.96 -0.04 0.00 -0.71 0.00 0.00 39.64 38.45 2e6p n ILE 11 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2e6p n LEU 12 N -0.38 1.58 -3.72 1.39 4.77 -1.01 -4.91 117.00 114.71 2e6p n LEU 12 Ca 0.13 -0.02 -0.12 0.00 -0.03 0.00 0.00 56.01 55.97 2e6p n LEU 12 Cb 0.48 -0.06 -0.12 0.00 -2.33 0.00 0.00 43.42 41.39 2e6p n LEU 12 CO 0.50 0.39 -0.02 -0.55 -1.33 0.00 0.00 177.39 176.37 2e6p s SER 13 N -4.19 -0.39 1.23 -1.43 0.15 -1.25 -4.15 113.70 103.67 2e6p s SER 13 Ca -0.06 0.71 -0.20 0.00 0.70 0.00 0.00 55.95 57.10 2e6p s SER 13 Cb 0.02 0.62 0.30 0.00 -1.71 0.00 0.00 66.02 65.25 2e6p s SER 13 CO 0.19 -0.16 1.11 -2.16 1.20 0.00 0.00 173.24 173.42 2e6p s PRO 14 N 1.02 -1.43 -0.20 5.44 0.04 -1.26 0.07 135.00 138.67 2e6p s PRO 14 Ca -0.07 -0.15 0.02 0.00 0.04 0.00 0.00 61.00 60.85 2e6p s PRO 14 Cb -0.07 -1.58 -0.21 0.00 0.04 0.00 0.00 34.50 32.68 2e6p s PRO 14 CO -0.08 -3.84 0.04 1.04 0.04 0.00 0.00 177.00 174.20 2e6p n GLN 15 N -4.83 0.69 -4.12 4.56 6.02 -1.26 -4.97 117.38 113.46 2e6p n GLN 15 Ca 0.14 0.17 -0.09 0.00 -0.01 0.00 0.00 57.00 57.21 2e6p n GLN 15 Cb 0.60 -1.59 -0.10 0.00 1.02 0.00 0.00 30.24 30.17 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 -6.51 0.33 0.00 1.08 1.47 -1.26 -5.09 116.67 106.69 2e6p s ASP 16 Ca -0.26 -1.13 -0.31 0.00 1.18 0.00 0.00 52.55 52.02 2e6p s ASP 16 Cb 0.08 0.28 -0.15 0.00 -0.34 0.00 0.00 42.92 42.79 2e6p s ASP 16 CO 0.69 -0.71 0.82 1.17 0.68 0.00 0.00 175.17 177.83 2e6p n LYS 17 N -0.05 0.00 -4.18 2.11 4.81 -1.26 -4.93 118.16 114.64 2e6p n LYS 17 Ca -0.08 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.11 2e6p n LYS 17 Cb 0.63 -1.16 -0.07 0.00 0.02 0.00 0.00 35.03 34.45 2e6p n LYS 17 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2e6p s VAL 18 N -0.00 3.90 -0.10 3.15 -7.23 -1.18 -5.01 120.40 113.94 2e6p s VAL 18 Ca 0.70 -1.41 0.02 0.00 -1.81 0.00 0.00 61.98 59.48 2e6p s VAL 18 Cb -0.98 -3.00 0.01 0.00 0.56 0.00 0.00 36.38 32.98 2e6p s VAL 18 CO 0.44 -0.16 -0.15 -0.55 -0.31 0.00 0.00 175.10 174.36 2e6p s SER 19 N -3.14 2.34 0.04 4.85 0.15 -1.26 -0.81 113.70 115.87 2e6p s SER 19 Ca 0.29 -0.41 -0.00 0.00 0.70 0.00 0.00 55.95 56.53 2e6p s SER 19 Cb -0.09 -1.05 -0.03 0.00 -1.71 0.00 0.00 66.02 63.14 2e6p s SER 19 CO 0.20 0.03 -0.03 -0.76 1.20 0.00 0.00 173.24 173.88 2e6p s LEU 20 N 0.85 2.38 -0.02 3.45 1.43 0.81 -4.98 118.68 122.61 2e6p s LEU 20 Ca -0.10 -0.78 -0.01 0.00 -1.03 0.00 0.00 54.13 52.21 2e6p s LEU 20 Cb -0.15 0.15 0.02 0.00 0.03 0.00 0.00 46.19 46.23 2e6p s LEU 20 CO 0.01 -0.47 0.03 -0.89 0.23 0.00 0.00 176.35 175.27 2e6p s THR 21 N -2.84 -0.03 0.20 5.49 2.01 -1.26 -2.30 115.64 116.90 2e6p s THR 21 Ca -0.03 0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.10 2e6p s THR 21 Cb 0.00 -0.07 -0.05 0.00 0.01 0.00 0.00 72.50 72.39 2e6p s THR 21 CO -0.06 0.05 0.01 -0.36 -0.69 0.00 0.00 174.62 173.57 2e6p s PHE 22 N 0.58 1.33 0.09 4.92 0.40 0.17 -4.94 117.98 120.52 2e6p s PHE 22 Ca -0.05 -1.02 0.02 0.00 -0.60 0.00 0.00 56.93 55.29 2e6p s PHE 22 Cb -0.07 -0.76 -0.04 0.00 0.51 0.00 0.00 43.02 42.66 2e6p s PHE 22 CO -0.02 -0.19 0.14 0.99 0.70 0.00 0.00 175.22 176.83 2e6p s THR 23 N -3.62 4.83 0.44 0.64 2.01 -1.26 -0.17 115.64 118.51 2e6p s THR 23 Ca 0.27 -0.68 -0.23 0.00 0.31 0.00 0.00 61.69 61.35 2e6p s THR 23 Cb 0.06 -3.36 -0.10 0.00 0.01 0.00 0.00 72.50 69.11 2e6p s THR 23 CO 0.06 0.09 0.94 0.41 -0.69 0.00 0.00 174.62 175.44 2e6p n THR 24 N 0.27 2.48 -3.14 -0.82 -1.04 -0.81 -2.92 114.28 108.30 2e6p n THR 24 Ca -0.07 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.05 61.30 2e6p n THR 24 Cb 0.52 -1.08 0.07 0.00 -1.82 0.00 0.00 70.33 68.02 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 0.48 -2.07 -3.72 8.00 7.64 -0.68 -4.85 113.62 118.42 2e6p n SER 25 Ca 0.10 -0.49 -0.22 0.00 1.01 0.00 0.00 58.87 59.27 2e6p n SER 25 Cb 0.40 -4.19 -0.08 0.00 -1.01 0.00 0.00 64.21 59.33 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 -5.10 1.81 -0.31 1.43 2.02 -1.15 -4.80 118.70 112.60 2e6p s GLU 26 Ca 0.01 -2.07 -0.10 0.00 0.02 0.00 0.00 54.97 52.82 2e6p s GLU 26 Cb -0.00 -0.08 -0.01 0.00 0.10 0.00 0.00 34.13 34.14 2e6p s GLU 26 CO 0.58 -0.57 0.17 0.50 0.02 0.00 0.00 175.26 175.96 2e6p s ARG 27 N -3.59 3.44 -0.30 1.61 3.52 -1.26 -1.11 118.95 121.26 2e6p s ARG 27 Ca 0.33 -0.65 -0.05 0.00 -0.13 0.00 0.00 55.73 55.22 2e6p s ARG 27 Cb 0.03 -3.60 0.03 0.00 -1.56 0.00 0.00 34.95 29.84 2e6p s ARG 27 CO 0.21 -0.39 0.06 0.08 -0.81 0.00 0.00 175.30 174.46 2e6p s VAL 28 N 1.65 3.63 -0.11 7.11 1.01 -0.93 -4.94 120.40 127.81 2e6p s VAL 28 Ca 0.05 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.06 2e6p s VAL 28 Cb -0.17 -2.96 0.02 0.00 0.00 0.00 0.00 36.38 33.28 2e6p s VAL 28 CO 0.07 -0.02 -0.11 0.54 0.00 0.00 0.00 175.10 175.59 2e6p s VAL 29 N 1.41 1.21 0.36 2.92 0.11 -1.26 -0.70 120.40 124.45 2e6p s VAL 29 Ca -0.00 -0.44 -0.00 0.00 -2.93 0.00 0.00 61.98 58.61 2e6p s VAL 29 Cb -0.18 -1.17 0.07 0.00 -1.53 0.00 0.00 36.38 33.57 2e6p s VAL 29 CO 0.01 0.39 0.49 0.18 -3.33 0.00 0.00 175.10 172.85 2e6p n LEU 30 N 4.60 0.00 -3.70 2.54 4.77 -0.52 -4.96 117.00 119.73 2e6p n LEU 30 Ca -0.16 -1.04 -0.12 0.00 -0.03 0.00 0.00 56.01 54.66 2e6p n LEU 30 Cb 0.50 -0.32 -0.10 0.00 -2.33 0.00 0.00 43.42 41.18 2e6p n LEU 30 CO 0.20 -0.74 0.15 -0.89 -1.33 0.00 0.00 177.39 174.78 2e6p s THR 31 N -1.41 -0.01 -0.08 -5.08 2.01 -1.26 -4.17 115.64 105.65 2e6p s THR 31 Ca 0.33 0.03 -0.09 0.00 0.31 0.00 0.00 61.69 62.27 2e6p s THR 31 Cb -0.02 -0.69 0.02 0.00 0.01 0.00 0.00 72.50 71.82 2e6p s THR 31 CO 0.22 0.01 0.24 0.00 -0.69 0.00 0.00 174.62 174.40 2e6p s GLU 33 N -0.11 1.31 0.33 0.00 2.12 0.11 -0.46 118.70 121.99 2e6p s GLU 33 Ca -0.02 -1.37 0.03 0.00 0.36 0.00 0.00 54.97 53.97 2e6p s GLU 33 Cb -0.02 -1.52 -0.05 0.00 0.26 0.00 0.00 34.13 32.79 2e6p s GLU 33 CO 0.01 0.33 0.08 -0.51 -0.54 0.00 0.00 175.26 174.63 2e6p s LEU 34 N -2.43 2.02 -0.00 2.70 1.43 -0.85 -2.40 118.68 119.15 2e6p s LEU 34 Ca 0.15 -1.44 0.13 0.00 -1.03 0.00 0.00 54.13 51.94 2e6p s LEU 34 Cb -0.08 -0.23 -0.20 0.00 0.03 0.00 0.00 46.19 45.71 2e6p s LEU 34 CO 0.07 -0.70 0.75 0.77 0.23 0.00 0.00 176.35 177.47 2e6p h SER 35 N 2.11 0.00 -2.88 2.29 4.64 -1.88 -3.45 113.55 114.38 2e6p h SER 35 Ca -0.39 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.28 2e6p h SER 35 Cb 1.25 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.28 2e6p h SER 35 CO 0.65 0.89 -0.52 -0.13 -0.87 0.00 0.00 176.83 176.85 2e6p s ARG 36 N -2.69 3.33 -0.02 4.77 0.52 -1.26 -5.01 118.95 118.59 2e6p s ARG 36 Ca -0.04 -0.36 -0.10 0.00 -0.52 0.00 0.00 55.73 54.71 2e6p s ARG 36 Cb 0.08 -3.03 -0.05 0.00 0.52 0.00 0.00 34.95 32.47 2e6p s ARG 36 CO 0.82 0.67 0.31 0.08 0.02 0.00 0.00 175.30 177.20 2e6p s VAL 37 N -1.28 5.22 -1.35 3.52 1.01 -1.26 -3.36 120.40 122.90 2e6p s VAL 37 Ca 0.26 0.46 -0.05 0.00 0.00 0.00 0.00 61.98 62.65 2e6p s VAL 37 Cb -0.12 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.67 2e6p s VAL 37 CO 0.17 0.49 0.66 0.47 0.00 0.00 0.00 175.10 176.89 2e6p n ASP 38 N 1.55 -5.71 -4.84 3.32 8.00 -1.26 -4.78 116.55 112.83 2e6p n ASP 38 Ca -0.14 -0.31 -0.38 0.00 0.71 0.00 0.00 54.79 54.68 2e6p n ASP 38 Cb 0.53 -4.49 -0.06 0.00 -0.02 0.00 0.00 41.12 37.08 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 -3.15 3.70 0.53 1.24 5.36 -1.26 -5.04 117.98 119.36 2e6p s PHE 39 Ca 0.33 0.92 -0.20 0.00 -0.96 0.00 0.00 56.93 57.01 2e6p s PHE 39 Cb -0.14 -2.25 -0.06 0.00 -0.34 0.00 0.00 43.02 40.23 2e6p s PHE 39 CO 0.40 0.64 1.13 -1.25 -1.46 0.00 0.00 175.22 174.69 2e6p s PRO 40 N -0.99 3.41 0.33 10.12 0.04 -1.26 -4.97 135.00 141.68 2e6p s PRO 40 Ca 0.22 1.63 -0.18 0.00 0.04 0.00 0.00 61.00 62.71 2e6p s PRO 40 Cb -0.16 -2.06 0.04 0.00 0.04 0.00 0.00 34.50 32.36 2e6p s PRO 40 CO 0.12 -0.80 0.77 0.00 0.04 0.00 0.00 177.00 177.13 2e6p s ALA 41 N -1.74 -1.00 -0.08 8.56 0.00 -1.26 -4.62 121.76 121.62 2e6p s ALA 41 Ca 0.71 -0.52 -0.14 0.00 0.00 0.00 0.00 51.96 52.02 2e6p s ALA 41 Cb -0.24 0.75 0.03 0.00 0.00 0.00 0.00 23.12 23.66 2e6p s ALA 41 CO 0.28 -1.01 0.33 0.99 0.00 0.00 0.00 175.76 176.35 2e6p s THR 42 N -3.04 0.03 -0.22 0.00 2.01 -0.06 -5.00 115.64 109.36 2e6p s THR 42 Ca 0.14 -0.21 -0.13 0.00 0.31 0.00 0.00 61.69 61.79 2e6p s THR 42 Cb -0.05 -0.55 -0.05 0.00 0.01 0.00 0.00 72.50 71.86 2e6p s THR 42 CO 0.09 -0.12 0.26 0.26 -0.69 0.00 0.00 174.62 174.42 2e6p s TRP 43 N -0.51 3.35 -0.04 4.92 0.52 -1.26 -1.71 118.94 124.20 2e6p s TRP 43 Ca -0.06 0.41 0.06 0.00 0.02 0.00 0.00 56.10 56.52 2e6p s TRP 43 Cb -0.04 -2.37 -0.01 0.00 -1.15 0.00 0.00 33.47 29.90 2e6p s TRP 43 CO 0.02 0.05 -0.22 0.71 0.02 0.00 0.00 176.95 177.54 2e6p s TYR 44 N 1.10 2.06 -0.07 -1.98 2.02 0.56 -2.89 117.35 118.15 2e6p s TYR 44 Ca 0.13 -0.54 0.04 0.00 -0.37 0.00 0.00 57.07 56.33 2e6p s TYR 44 Cb -0.14 -1.35 -0.00 0.00 -0.40 0.00 0.00 41.96 40.07 2e6p s TYR 44 CO 0.06 -0.14 -0.20 0.21 -1.57 0.00 0.00 175.55 173.90 2e6p s LYS 45 N -0.22 2.33 -1.49 -0.62 2.20 -0.72 0.18 119.74 121.41 2e6p s LYS 45 Ca 0.00 -0.72 -0.15 0.00 -0.36 0.00 0.00 55.97 54.74 2e6p s LYS 45 Cb -0.11 -1.89 0.13 0.00 -1.51 0.00 0.00 37.83 34.44 2e6p s LYS 45 CO 0.02 0.22 0.64 -3.47 -0.36 0.00 0.00 175.35 172.39 2e6p n ASP 46 N 3.34 -3.24 -2.92 1.43 2.03 -1.07 0.07 116.55 116.18 2e6p n ASP 46 Ca -0.19 -0.74 -0.19 0.00 0.52 0.00 0.00 54.79 54.19 2e6p n ASP 46 Cb 0.52 -2.68 0.06 0.00 -0.72 0.00 0.00 41.12 38.31 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 -1.24 -0.22 3.21 0.27 0.00 -1.26 -5.01 105.19 100.94 2e6p n GLY 47 Ca 0.05 0.05 -0.10 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 -6.02 0.31 0.29 1.61 -0.21 0.11 -5.14 119.66 110.62 2e6p s GLN 48 Ca 0.45 0.87 -0.27 0.00 0.02 0.00 0.00 55.36 56.43 2e6p s GLN 48 Cb -0.20 0.12 -0.14 0.00 1.00 0.00 0.00 33.01 33.79 2e6p s GLN 48 CO 0.57 -0.22 0.85 1.17 -2.12 0.00 0.00 175.29 175.54 2e6p n LYS 49 N 4.91 0.96 -3.19 2.91 4.81 -1.26 -1.76 118.16 125.54 2e6p n LYS 49 Ca -0.14 0.34 -0.31 0.00 -0.87 0.00 0.00 58.31 57.32 2e6p n LYS 49 Cb 0.52 -1.62 -0.04 0.00 0.02 0.00 0.00 35.03 33.90 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 -1.10 4.87 -0.50 3.15 -7.23 -1.14 -4.82 120.40 113.63 2e6p s VAL 50 Ca 0.60 0.50 -0.08 0.00 -1.81 0.00 0.00 61.98 61.19 2e6p s VAL 50 Cb -0.74 -3.68 0.13 0.00 0.56 0.00 0.00 36.38 32.66 2e6p s VAL 50 CO 0.59 -0.28 0.36 -1.61 -0.31 0.00 0.00 175.10 173.85 2e6p s GLU 51 N -3.31 2.50 -0.06 4.82 2.02 -1.26 -5.02 118.70 118.39 2e6p s GLU 51 Ca 0.49 -1.89 -0.36 0.00 0.02 0.00 0.00 54.97 53.23 2e6p s GLU 51 Cb -0.11 -3.90 -0.14 0.00 0.10 0.00 0.00 34.13 30.08 2e6p s GLU 51 CO 0.25 -1.19 1.66 0.39 0.02 0.00 0.00 175.26 176.40 2e6p n GLU 52 N 4.69 1.64 -3.83 1.61 4.71 -1.26 -4.75 120.64 123.45 2e6p n GLU 52 Ca -0.05 0.60 -0.07 0.00 -0.01 0.00 0.00 57.16 57.64 2e6p n GLU 52 Cb 0.41 -2.33 0.00 0.00 -1.01 0.00 0.00 31.44 28.51 2e6p n GLU 52 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2e6p s SER 53 N 2.50 -0.11 0.36 1.62 1.04 -0.51 -4.96 113.70 113.63 2e6p s SER 53 Ca 0.90 -0.78 0.13 0.00 0.48 0.00 0.00 55.95 56.68 2e6p s SER 53 Cb -0.86 0.71 0.97 0.00 0.10 0.00 0.00 66.02 66.93 2e6p s SER 53 CO 0.52 -1.36 1.76 1.05 0.98 0.00 0.00 173.24 176.19 2e6p h GLU 54 N 2.00 0.51 0.00 4.02 4.11 -2.02 0.87 114.58 124.07 2e6p h GLU 54 Ca -0.26 -0.03 -0.03 0.00 0.07 0.00 0.00 59.36 59.11 2e6p h GLU 54 Cb 1.24 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 2e6p h GLU 54 CO 0.32 0.33 -0.13 -0.07 0.07 0.00 0.00 179.01 179.53 2e6p h LEU 55 N 0.52 0.00 -7.42 3.06 3.38 -1.95 -3.41 115.31 109.49 2e6p h LEU 55 Ca 0.61 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 58.00 2e6p h LEU 55 Cb 1.30 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.65 2e6p h LEU 55 CO -0.37 0.13 -0.77 -0.22 0.09 0.00 0.00 178.44 177.30 2e6p s LEU 56 N -6.40 2.23 -0.18 1.67 0.20 0.30 -4.24 118.68 112.26 2e6p s LEU 56 Ca 0.03 -1.25 -0.08 0.00 0.69 0.00 0.00 54.13 53.51 2e6p s LEU 56 Cb 0.08 -0.96 -0.04 0.00 -0.43 0.00 0.00 46.19 44.83 2e6p s LEU 56 CO 0.63 -0.31 0.10 -0.69 -0.29 0.00 0.00 176.35 175.79 2e6p s VAL 57 N 1.55 5.13 -0.26 1.68 1.01 -0.64 -1.43 120.40 127.44 2e6p s VAL 57 Ca 0.00 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.09 2e6p s VAL 57 Cb -0.18 -3.32 0.06 0.00 0.00 0.00 0.00 36.38 32.95 2e6p s VAL 57 CO -0.11 0.47 -0.08 -0.69 0.00 0.00 0.00 175.10 174.69 2e6p s VAL 58 N 0.23 1.97 0.02 2.92 1.01 -1.26 -0.27 120.40 125.02 2e6p s VAL 58 Ca 0.07 -1.58 -0.03 0.00 0.00 0.00 0.00 61.98 60.44 2e6p s VAL 58 Cb -0.12 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 2e6p s VAL 58 CO -0.01 -0.11 0.22 -0.54 0.00 0.00 0.00 175.10 174.66 2e6p s LYS 59 N 1.18 3.48 0.08 2.72 -0.14 -1.05 -5.03 119.74 120.97 2e6p s LYS 59 Ca -0.06 -0.27 0.08 0.00 -1.36 0.00 0.00 55.97 54.36 2e6p s LYS 59 Cb -0.20 -3.06 -0.03 0.00 -1.68 0.00 0.00 37.83 32.86 2e6p s LYS 59 CO -0.06 0.64 -0.21 1.41 -0.76 0.00 0.00 175.35 176.37 2e6p s MET 60 N -2.06 1.27 -0.02 1.68 -2.45 -1.26 -3.24 119.30 113.22 2e6p s MET 60 Ca 0.30 -1.08 -0.29 0.00 -1.25 0.00 0.00 55.69 53.37 2e6p s MET 60 Cb -0.13 -1.48 0.08 0.00 1.25 0.00 0.00 34.83 34.54 2e6p s MET 60 CO 0.20 0.36 0.70 -0.51 1.05 0.00 0.00 175.02 176.82 2e6p s ASP 61 N -1.59 -0.60 -0.32 1.11 1.01 0.24 -5.02 116.67 111.51 2e6p s ASP 61 Ca 0.07 0.52 -0.35 0.00 0.71 0.00 0.00 52.55 53.50 2e6p s ASP 61 Cb -0.09 0.52 -0.15 0.00 1.01 0.00 0.00 42.92 44.21 2e6p s ASP 61 CO 0.03 -0.66 1.15 0.61 0.21 0.00 0.00 175.17 176.51 2e6p n GLY 62 N 0.59 0.09 3.66 0.21 0.00 -1.26 0.10 105.19 108.58 2e6p n GLY 62 Ca -0.17 0.73 -0.28 0.00 0.00 0.00 0.00 46.02 46.30 2e6p n GLY 62 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2e6p n ARG 63 N 2.72 -0.84 -3.46 1.61 1.85 -1.21 -4.84 116.66 112.49 2e6p n ARG 63 Ca 0.22 0.09 -0.03 0.00 -1.00 0.00 0.00 57.85 57.13 2e6p n ARG 63 Cb -0.03 -3.10 -0.05 0.00 -1.05 0.00 0.00 32.46 28.23 2e6p n ARG 63 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2e6p s LYS 64 N -5.53 0.47 0.00 2.89 1.02 0.29 -2.00 119.74 116.88 2e6p s LYS 64 Ca 0.45 1.05 0.05 0.00 0.02 0.00 0.00 55.97 57.53 2e6p s LYS 64 Cb -0.26 0.39 -0.01 0.00 -0.52 0.00 0.00 37.83 37.42 2e6p s LYS 64 CO 0.71 -0.41 -0.15 -1.01 -0.92 0.00 0.00 175.35 173.58 2e6p s HIS 65 N 2.75 1.30 0.01 3.18 3.76 0.39 -0.59 115.29 126.08 2e6p s HIS 65 Ca 0.06 -0.27 -0.21 0.00 -0.15 0.00 0.00 55.06 54.49 2e6p s HIS 65 Cb -0.13 -0.82 0.04 0.00 1.11 0.00 0.00 32.58 32.78 2e6p s HIS 65 CO -0.17 -0.01 0.46 -0.98 -0.85 0.00 0.00 174.74 173.19 2e6p s ARG 66 N -0.54 0.90 -0.16 1.40 1.70 -1.20 0.03 118.95 121.08 2e6p s ARG 66 Ca 0.05 -0.16 -0.01 0.00 -0.47 0.00 0.00 55.73 55.14 2e6p s ARG 66 Cb -0.06 0.41 -0.01 0.00 -0.57 0.00 0.00 34.95 34.72 2e6p s ARG 66 CO -0.00 -0.29 -0.11 -1.17 -1.08 0.00 0.00 175.30 172.65 2e6p s LEU 67 N -1.63 2.75 0.11 -1.89 0.20 -1.26 -2.53 118.68 114.43 2e6p s LEU 67 Ca -0.09 -0.36 0.03 0.00 0.69 0.00 0.00 54.13 54.40 2e6p s LEU 67 Cb -0.02 -1.65 -0.04 0.00 -0.43 0.00 0.00 46.19 44.06 2e6p s LEU 67 CO 0.02 0.10 0.15 -0.63 -0.29 0.00 0.00 176.35 175.71 2e6p s ILE 68 N 0.76 4.81 -0.05 6.68 1.01 0.63 -1.44 121.20 133.60 2e6p s ILE 68 Ca -0.04 -0.78 -0.02 0.00 0.00 0.00 0.00 60.65 59.81 2e6p s ILE 68 Cb -0.15 -3.39 0.03 0.00 0.01 0.00 0.00 42.46 38.96 2e6p s ILE 68 CO 0.01 0.02 0.06 -0.76 0.00 0.00 0.00 174.94 174.28 2e6p s LEU 69 N -2.77 0.15 0.15 2.97 1.43 0.12 -1.62 118.68 119.12 2e6p s LEU 69 Ca 0.32 0.04 -0.10 0.00 -1.03 0.00 0.00 54.13 53.36 2e6p s LEU 69 Cb -0.11 -0.15 -0.01 0.00 0.03 0.00 0.00 46.19 45.95 2e6p s LEU 69 CO 0.25 -0.26 1.49 1.55 0.23 0.00 0.00 176.35 179.61 2e6p h PRO 70 N 8.44 0.89 -4.06 1.29 0.13 -1.83 -2.47 132.00 134.39 2e6p h PRO 70 Ca -0.12 -0.47 -0.50 0.00 -0.87 0.00 0.00 66.00 64.04 2e6p h PRO 70 Cb 1.12 0.02 -0.37 0.00 0.13 0.00 0.00 31.00 31.90 2e6p h PRO 70 CO 0.16 1.12 -0.79 -2.00 -0.23 0.00 0.00 178.00 176.26 2e6p s GLU 71 N -4.37 1.23 -0.68 0.86 2.12 -1.24 -4.37 118.70 112.24 2e6p s GLU 71 Ca -0.11 -0.14 -0.22 0.00 0.36 0.00 0.00 54.97 54.86 2e6p s GLU 71 Cb 0.11 -1.37 0.08 0.00 0.26 0.00 0.00 34.13 33.21 2e6p s GLU 71 CO 0.88 -0.27 0.97 0.00 -0.54 0.00 0.00 175.26 176.30 2e6p s ALA 72 N 1.75 3.15 0.09 6.30 0.00 -0.27 -4.85 121.76 127.92 2e6p s ALA 72 Ca 0.04 -1.95 -0.08 0.00 0.00 0.00 0.00 51.96 49.97 2e6p s ALA 72 Cb -0.13 -3.87 -0.06 0.00 0.00 0.00 0.00 23.12 19.07 2e6p s ALA 72 CO -0.07 -2.78 0.38 -1.59 0.00 0.00 0.00 175.76 171.70 2e6p s LYS 73 N 3.89 3.70 0.50 0.00 -2.85 -1.26 -1.69 119.74 122.04 2e6p s LYS 73 Ca 0.23 0.08 0.39 0.00 -1.00 0.00 0.00 55.97 55.67 2e6p s LYS 73 Cb -0.16 -2.96 1.56 0.00 -2.06 0.00 0.00 37.83 34.21 2e6p s LYS 73 CO 0.08 0.54 1.63 0.28 0.10 0.00 0.00 175.35 177.98 2e6p h VAL 74 N 2.67 0.12 -0.38 1.79 2.07 -1.96 1.42 116.25 121.98 2e6p h VAL 74 Ca -0.48 -0.01 -0.13 0.00 0.82 0.00 0.00 66.70 66.89 2e6p h VAL 74 Cb 1.19 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2e6p h VAL 74 CO 0.68 0.01 -0.29 1.56 0.02 0.00 0.00 177.57 179.54 2e6p h GLN 75 N 0.04 0.82 -0.79 1.57 4.20 -1.92 -2.87 115.11 116.15 2e6p h GLN 75 Ca 0.83 -0.37 0.21 0.00 0.06 0.00 0.00 58.65 59.37 2e6p h GLN 75 Cb 3.00 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 30.72 2e6p h GLN 75 CO -0.20 1.00 0.55 -0.44 -0.67 0.00 0.00 178.83 179.07 2e6p h ASP 76 N 0.69 0.16 -2.02 1.46 5.19 0.16 -3.41 116.42 118.66 2e6p h ASP 76 Ca 0.08 0.02 -0.61 0.00 -0.62 0.00 0.00 57.03 55.89 2e6p h ASP 76 Cb 0.84 -0.02 0.02 0.00 0.18 0.00 0.00 39.33 40.35 2e6p h ASP 76 CO 0.07 0.07 1.12 -1.54 -3.12 0.00 0.00 179.24 175.84 2e6p n SER 77 N -4.39 3.45 0.00 6.45 3.41 -1.09 -4.86 113.62 116.60 2e6p n SER 77 Ca 0.16 0.95 0.00 0.00 -0.26 0.00 0.00 58.87 59.73 2e6p n SER 77 Cb 0.75 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 2e6p n SER 77 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e6p n GLY 78 N 4.47 -0.11 3.69 5.00 0.00 -0.98 -4.94 105.19 112.32 2e6p n GLY 78 Ca 0.23 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.00 4.45 -0.15 1.61 2.12 -1.26 -2.75 118.70 120.72 2e6p s GLU 79 Ca 0.00 1.36 -0.05 0.00 0.36 0.00 0.00 54.97 56.64 2e6p s GLU 79 Cb 0.00 -3.52 -0.03 0.00 0.26 0.00 0.00 34.13 30.84 2e6p s GLU 79 CO 0.00 -0.23 0.01 -0.06 -0.54 0.00 0.00 175.26 174.44 2e6p s PHE 80 N 1.70 3.15 -0.03 5.30 0.40 -0.17 -2.60 117.98 125.73 2e6p s PHE 80 Ca 0.48 -0.06 0.07 0.00 -0.60 0.00 0.00 56.93 56.82 2e6p s PHE 80 Cb -0.19 -1.98 -0.02 0.00 0.51 0.00 0.00 43.02 41.35 2e6p s PHE 80 CO 0.20 0.13 -0.24 -2.00 0.70 0.00 0.00 175.22 174.02 2e6p s GLU 81 N 0.15 2.11 -0.68 0.44 2.12 0.13 0.22 118.70 123.19 2e6p s GLU 81 Ca 0.02 -0.86 0.04 0.00 0.36 0.00 0.00 54.97 54.53 2e6p s GLU 81 Cb -0.13 -1.94 0.16 0.00 0.26 0.00 0.00 34.13 32.48 2e6p s GLU 81 CO 0.02 0.46 0.46 0.00 -0.54 0.00 0.00 175.26 175.66 2e6p s ARG 83 N -1.20 4.25 0.00 0.00 3.52 -0.70 -3.48 118.95 121.35 2e6p s ARG 83 Ca 0.23 1.62 0.00 0.00 -0.13 0.00 0.00 55.73 57.46 2e6p s ARG 83 Cb -0.09 -2.70 0.00 0.00 -1.56 0.00 0.00 34.95 30.60 2e6p s ARG 83 CO -0.13 -0.09 0.00 -2.37 -0.81 0.00 0.00 175.30 171.90 2e6p n THR 84 N 0.22 0.00 0.01 4.11 5.66 -1.10 -0.88 114.28 122.30 2e6p n THR 84 Ca 0.04 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.03 2e6p n THR 84 Cb 0.48 -0.43 -0.00 0.00 -1.55 0.00 0.00 70.33 68.83 2e6p n THR 84 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2e6p n GLU 85 N -1.74 0.03 0.00 1.09 0.00 -1.26 -4.64 120.64 114.12 2e6p n GLU 85 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 57.16 57.17 2e6p n GLU 85 Cb 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 31.44 31.13 2e6p n GLU 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2e6p n GLY 86 N 3.21 0.24 3.73 8.31 0.00 -1.26 -5.09 105.19 114.33 2e6p n GLY 86 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2e6p n GLY 86 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2e6p s VAL 87 N -0.95 1.74 -0.06 1.61 -7.23 -1.26 -5.16 120.40 109.08 2e6p s VAL 87 Ca 0.00 -1.86 -0.31 0.00 -1.81 0.00 0.00 61.98 58.00 2e6p s VAL 87 Cb 0.00 -2.60 0.08 0.00 0.56 0.00 0.00 36.38 34.42 2e6p s VAL 87 CO 0.00 0.00 0.71 -0.44 -0.31 0.00 0.00 175.10 175.06 2e6p s SER 88 N -3.89 -0.63 -0.13 4.85 0.01 -1.26 -2.73 113.70 109.92 2e6p s SER 88 Ca 0.26 0.68 -0.06 0.00 1.31 0.00 0.00 55.95 58.14 2e6p s SER 88 Cb 0.04 0.52 -0.04 0.00 0.21 0.00 0.00 66.02 66.75 2e6p s SER 88 CO 0.14 -0.59 0.08 0.00 0.41 0.00 0.00 173.24 173.28 2e6p s ALA 89 N -1.21 3.57 -0.14 1.44 0.00 -1.23 -4.86 121.76 119.33 2e6p s ALA 89 Ca -0.10 -0.72 -0.07 0.00 0.00 0.00 0.00 51.96 51.07 2e6p s ALA 89 Cb -0.00 -1.84 -0.04 0.00 0.00 0.00 0.00 23.12 21.24 2e6p s ALA 89 CO 0.09 0.45 0.10 -0.06 0.00 0.00 0.00 175.76 176.33 2e6p s PHE 90 N -0.48 3.41 -0.19 0.00 0.40 -1.26 -1.82 117.98 118.04 2e6p s PHE 90 Ca 0.11 0.33 0.00 0.00 -0.60 0.00 0.00 56.93 56.76 2e6p s PHE 90 Cb -0.12 -1.99 0.05 0.00 0.51 0.00 0.00 43.02 41.47 2e6p s PHE 90 CO 0.02 0.47 -0.07 -0.06 0.70 0.00 0.00 175.22 176.29 2e6p s PHE 91 N -0.43 2.06 -0.46 0.36 0.40 0.13 -3.10 117.98 116.95 2e6p s PHE 91 Ca 0.11 -1.39 -0.26 0.00 -0.60 0.00 0.00 56.93 54.79 2e6p s PHE 91 Cb -0.12 -1.47 0.03 0.00 0.51 0.00 0.00 43.02 41.97 2e6p s PHE 91 CO 0.02 -0.69 0.97 0.20 0.70 0.00 0.00 175.22 176.41 2e6p s GLY 92 N 1.51 1.44 0.02 4.36 0.00 0.01 -1.00 107.32 113.68 2e6p s GLY 92 Ca -0.01 -0.72 0.05 0.00 0.00 0.00 0.00 44.72 44.03 2e6p s GLY 92 CO -0.08 2.11 -0.10 0.14 0.00 0.00 0.00 173.10 175.17 2e6p s VAL 93 N 3.89 3.39 -0.16 1.40 1.01 -1.11 -0.13 120.40 128.69 2e6p s VAL 93 Ca 0.39 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 2e6p s VAL 93 Cb -0.10 -2.48 0.07 0.00 0.00 0.00 0.00 36.38 33.88 2e6p s VAL 93 CO 0.27 0.35 0.14 -0.89 0.00 0.00 0.00 175.10 174.97 2e6p s THR 94 N -1.00 -0.20 -0.40 3.92 2.01 -0.97 -2.33 115.64 116.67 2e6p s THR 94 Ca 0.17 -0.02 -0.18 0.00 0.31 0.00 0.00 61.69 61.97 2e6p s THR 94 Cb -0.11 -0.53 0.01 0.00 0.01 0.00 0.00 72.50 71.88 2e6p s THR 94 CO 0.08 -0.15 0.48 -0.69 -0.69 0.00 0.00 174.62 173.64 2e6p s VAL 95 N 2.23 5.03 -0.19 3.82 1.01 -1.25 -0.66 120.40 130.39 2e6p s VAL 95 Ca 0.04 -0.09 -0.07 0.00 0.00 0.00 0.00 61.98 61.87 2e6p s VAL 95 Cb -0.15 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 2e6p s VAL 95 CO -0.09 -0.38 0.05 -1.10 0.00 0.00 0.00 175.10 173.58 2e6p s GLN 96 N 2.30 3.89 0.17 2.72 -0.21 0.76 -4.67 119.66 124.63 2e6p s GLN 96 Ca 0.15 -0.39 -0.30 0.00 0.02 0.00 0.00 55.36 54.85 2e6p s GLN 96 Cb -0.16 -3.18 -0.08 0.00 1.00 0.00 0.00 33.01 30.59 2e6p s GLN 96 CO 0.14 0.22 1.17 0.16 -2.12 0.00 0.00 175.29 174.86 2e6p s ASP 97 N 0.51 7.13 1.05 5.90 1.47 -1.26 -1.92 116.67 129.55 2e6p s ASP 97 Ca 0.02 2.18 -0.14 0.00 1.18 0.00 0.00 52.55 55.79 2e6p s ASP 97 Cb -0.13 -2.60 0.21 0.00 -0.34 0.00 0.00 42.92 40.06 2e6p s ASP 97 CO 0.01 -0.34 1.10 -2.16 0.68 0.00 0.00 175.17 174.46 2e6p s PRO 98 N -0.19 0.01 -0.86 2.11 0.04 -1.26 -4.92 135.00 129.93 2e6p s PRO 98 Ca 0.52 0.37 -0.19 0.00 0.04 0.00 0.00 61.00 61.74 2e6p s PRO 98 Cb -0.32 -1.70 0.12 0.00 0.04 0.00 0.00 34.50 32.64 2e6p s PRO 98 CO 0.36 -2.98 1.08 -1.12 0.04 0.00 0.00 177.00 174.37 2e6p s SER 99 N -3.54 6.52 -0.20 6.66 0.01 -1.26 -4.94 113.70 116.95 2e6p s SER 99 Ca 0.67 -1.82 -0.36 0.00 1.31 0.00 0.00 55.95 55.75 2e6p s SER 99 Cb -0.17 -2.40 0.14 0.00 0.21 0.00 0.00 66.02 63.81 2e6p s SER 99 CO 0.57 -1.14 1.30 -0.83 0.41 0.00 0.00 173.24 173.55 2e6p s GLY 100 N 3.65 -0.28 0.13 3.44 0.00 -1.26 -5.04 107.32 107.95 2e6p s GLY 100 Ca 0.30 1.58 -0.12 0.00 0.00 0.00 0.00 44.72 46.48 2e6p s GLY 100 CO -0.05 0.51 1.46 -0.56 0.00 0.00 0.00 173.10 174.45 2e6p h PRO 101 N 2.00 0.85 -6.71 2.90 0.13 -2.05 -3.47 132.00 125.65 2e6p h PRO 101 Ca -0.10 -0.45 -0.54 0.00 -0.87 0.00 0.00 66.00 64.04 2e6p h PRO 101 Cb 1.16 0.01 -0.18 0.00 0.13 0.00 0.00 31.00 32.12 2e6p h PRO 101 CO 0.22 1.09 -0.85 0.43 -0.23 0.00 0.00 178.00 178.66 2e6p n SER 102 N -4.14 -2.65 -3.93 1.44 7.64 -1.26 -4.94 113.62 105.77 2e6p n SER 102 Ca -0.03 -1.02 -0.22 0.00 1.01 0.00 0.00 58.87 58.62 2e6p n SER 102 Cb 0.51 -2.79 -0.16 0.00 -1.01 0.00 0.00 64.21 60.76 2e6p n SER 102 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2e6p s SER 103 N -3.52 1.32 0.00 6.43 0.01 -1.26 -5.27 113.70 111.41 2e6p s SER 103 Ca 0.58 -0.20 0.23 0.00 1.31 0.00 0.00 55.95 57.88 2e6p s SER 103 Cb -0.32 -0.60 0.19 0.00 0.21 0.00 0.00 66.02 65.50 2e6p s SER 103 CO 0.92 -0.03 1.24 0.61 0.41 0.00 0.00 173.24 176.39