#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e6p n SER 2 N 0.00 1.93 -4.56 1.61 2.88 -1.26 -4.72 113.62 109.50 2e6p n SER 2 Ca 0.00 0.36 -0.30 0.00 -1.33 0.00 0.00 58.87 57.59 2e6p n SER 2 Cb 0.00 -0.92 -0.04 0.00 -0.75 0.00 0.00 64.21 62.49 2e6p n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2e6p s SER 3 N -6.94 5.34 -1.14 -3.46 1.04 -1.26 -4.88 113.70 102.39 2e6p s SER 3 Ca -0.28 -0.62 -0.07 0.00 0.48 0.00 0.00 55.95 55.46 2e6p s SER 3 Cb 0.07 -2.56 0.26 0.00 0.10 0.00 0.00 66.02 63.89 2e6p s SER 3 CO 0.63 -2.53 1.47 0.61 0.98 0.00 0.00 173.24 174.39 2e6p n GLY 4 N 6.67 4.68 3.80 7.32 0.00 -1.26 -5.02 105.19 121.38 2e6p n GLY 4 Ca 0.36 -2.47 -0.30 0.00 0.00 0.00 0.00 46.02 43.61 2e6p n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e6p s SER 5 N -0.04 2.44 -0.49 1.61 0.01 -1.26 -5.05 113.70 110.93 2e6p s SER 5 Ca 0.34 0.46 0.03 0.00 1.31 0.00 0.00 55.95 58.09 2e6p s SER 5 Cb 0.01 -0.63 0.14 0.00 0.21 0.00 0.00 66.02 65.75 2e6p s SER 5 CO 0.03 -3.17 0.27 -0.94 0.41 0.00 0.00 173.24 169.85 2e6p s SER 6 N -4.47 3.90 0.00 2.44 1.04 -1.26 -5.02 113.70 110.32 2e6p s SER 6 Ca 0.72 -2.88 0.00 0.00 0.48 0.00 0.00 55.95 54.26 2e6p s SER 6 Cb -0.07 -1.27 0.00 0.00 0.10 0.00 0.00 66.02 64.78 2e6p s SER 6 CO 0.54 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 175.13 2e6p n GLY 7 N 3.23 3.65 0.08 7.32 0.00 -1.26 -5.04 105.19 113.16 2e6p n GLY 7 Ca 0.09 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 -0.06 -3.34 1.61 0.13 -2.04 -3.46 132.00 124.83 2e6p h PRO 8 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.98 2e6p h PRO 8 Cb 0.00 0.01 -0.22 0.00 0.13 0.00 0.00 31.00 30.92 2e6p h PRO 8 CO 0.00 0.41 -0.45 0.54 -0.23 0.00 0.00 178.00 178.26 2e6p s VAL 9 N -4.21 0.05 -0.13 1.56 0.11 -1.26 -4.86 120.40 111.66 2e6p s VAL 9 Ca -0.15 -0.41 -0.06 0.00 -2.93 0.00 0.00 61.98 58.43 2e6p s VAL 9 Cb 0.02 -0.41 0.05 0.00 -1.53 0.00 0.00 36.38 34.51 2e6p s VAL 9 CO 0.64 -0.22 0.29 -1.38 -3.33 0.00 0.00 175.10 171.10 2e6p s HIS 10 N -0.83 -0.42 0.43 1.54 -3.43 -1.26 -4.72 115.29 106.59 2e6p s HIS 10 Ca -0.09 0.96 -0.26 0.00 -0.80 0.00 0.00 55.06 54.87 2e6p s HIS 10 Cb -0.05 0.09 -0.08 0.00 -1.43 0.00 0.00 32.58 31.11 2e6p s HIS 10 CO 0.01 -0.29 1.35 0.42 -2.00 0.00 0.00 174.74 174.24 2e6p s ILE 11 N 1.53 2.38 -0.14 -5.38 1.01 -1.26 -3.40 121.20 115.94 2e6p s ILE 11 Ca -0.07 0.34 0.07 0.00 0.00 0.00 0.00 60.65 60.98 2e6p s ILE 11 Cb -0.10 -3.20 -0.13 0.00 0.01 0.00 0.00 42.46 39.04 2e6p s ILE 11 CO -0.10 0.05 -0.04 0.18 0.00 0.00 0.00 174.94 175.03 2e6p n LEU 12 N -0.05 1.36 -3.69 2.97 4.77 -1.14 -4.97 117.00 116.24 2e6p n LEU 12 Ca 0.04 -0.04 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 2e6p n LEU 12 Cb 0.43 -0.09 -0.10 0.00 -2.33 0.00 0.00 43.42 41.34 2e6p n LEU 12 CO 0.57 0.52 0.14 -0.55 -1.33 0.00 0.00 177.39 176.74 2e6p s SER 13 N -5.00 -0.57 0.96 -1.43 0.15 -1.25 -4.10 113.70 102.46 2e6p s SER 13 Ca -0.13 1.01 -0.12 0.00 0.70 0.00 0.00 55.95 57.41 2e6p s SER 13 Cb 0.05 0.95 0.17 0.00 -1.71 0.00 0.00 66.02 65.48 2e6p s SER 13 CO 0.45 -0.19 1.09 -2.16 1.20 0.00 0.00 173.24 173.63 2e6p s PRO 14 N 0.89 0.74 -0.01 5.44 0.04 -1.26 -0.07 135.00 140.77 2e6p s PRO 14 Ca -0.05 0.64 0.00 0.00 0.04 0.00 0.00 61.00 61.63 2e6p s PRO 14 Cb -0.06 -1.76 -0.26 0.00 0.04 0.00 0.00 34.50 32.46 2e6p s PRO 14 CO -0.07 -2.55 0.80 1.96 0.04 0.00 0.00 177.00 177.18 2e6p h GLN 15 N -1.76 0.19 -4.03 4.56 4.20 -1.94 -3.48 115.11 112.84 2e6p h GLN 15 Ca -0.53 -0.32 -0.20 0.00 0.06 0.00 0.00 58.65 57.67 2e6p h GLN 15 Cb 1.31 0.12 -0.09 0.00 0.30 0.00 0.00 27.48 29.12 2e6p h GLN 15 CO 0.56 1.01 -0.23 0.16 -0.67 0.00 0.00 178.83 179.66 2e6p s ASP 16 N -6.81 0.46 0.08 1.46 1.47 -1.26 -5.09 116.67 106.98 2e6p s ASP 16 Ca -0.09 -1.28 -0.37 0.00 1.18 0.00 0.00 52.55 51.99 2e6p s ASP 16 Cb 0.07 0.60 -0.18 0.00 -0.34 0.00 0.00 42.92 43.07 2e6p s ASP 16 CO 0.84 -1.18 1.21 1.17 0.68 0.00 0.00 175.17 177.89 2e6p n LYS 17 N -0.46 0.78 -3.87 2.11 3.00 -1.26 -4.87 118.16 113.59 2e6p n LYS 17 Ca 0.00 0.28 -0.26 0.00 -0.00 0.00 0.00 58.31 58.33 2e6p n LYS 17 Cb 0.62 -1.84 -0.00 0.00 0.00 0.00 0.00 35.03 33.81 2e6p n LYS 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 2e6p s VAL 18 N 0.20 1.63 -0.09 3.15 -7.23 -1.24 -5.01 120.40 111.80 2e6p s VAL 18 Ca 0.84 -1.48 -0.03 0.00 -1.81 0.00 0.00 61.98 59.50 2e6p s VAL 18 Cb -1.03 -2.11 0.05 0.00 0.56 0.00 0.00 36.38 33.85 2e6p s VAL 18 CO 0.51 0.00 0.16 -0.94 -0.31 0.00 0.00 175.10 174.52 2e6p s SER 19 N -4.30 0.84 0.04 4.85 1.04 -1.26 -2.62 113.70 112.29 2e6p s SER 19 Ca 0.34 0.27 0.02 0.00 0.48 0.00 0.00 55.95 57.06 2e6p s SER 19 Cb -0.02 0.26 -0.02 0.00 0.10 0.00 0.00 66.02 66.33 2e6p s SER 19 CO 0.21 -0.25 -0.06 -0.76 0.98 0.00 0.00 173.24 173.36 2e6p s LEU 20 N 2.29 2.25 0.03 2.42 1.43 0.72 -4.95 118.68 122.87 2e6p s LEU 20 Ca 0.03 -0.53 0.03 0.00 -1.03 0.00 0.00 54.13 52.63 2e6p s LEU 20 Cb -0.12 -0.09 -0.02 0.00 0.03 0.00 0.00 46.19 45.98 2e6p s LEU 20 CO -0.06 -0.23 -0.08 -0.89 0.23 0.00 0.00 176.35 175.32 2e6p s THR 21 N -1.38 0.62 0.29 5.49 2.01 -1.26 -2.09 115.64 119.31 2e6p s THR 21 Ca -0.11 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.03 2e6p s THR 21 Cb -0.10 -0.62 -0.02 0.00 0.01 0.00 0.00 72.50 71.77 2e6p s THR 21 CO 0.00 -0.19 0.30 -0.36 -0.69 0.00 0.00 174.62 173.68 2e6p s PHE 22 N -0.98 1.31 -0.02 4.92 0.08 0.56 -4.93 117.98 118.92 2e6p s PHE 22 Ca -0.05 -1.42 0.03 0.00 0.12 0.00 0.00 56.93 55.61 2e6p s PHE 22 Cb -0.08 -0.45 -0.03 0.00 -0.57 0.00 0.00 43.02 41.89 2e6p s PHE 22 CO 0.00 -0.88 -0.08 0.99 -0.10 0.00 0.00 175.22 175.16 2e6p s THR 23 N -3.61 3.57 0.47 0.64 2.01 -1.26 -1.38 115.64 116.08 2e6p s THR 23 Ca 0.36 -0.69 -0.21 0.00 0.31 0.00 0.00 61.69 61.47 2e6p s THR 23 Cb 0.03 -2.51 -0.12 0.00 0.01 0.00 0.00 72.50 69.91 2e6p s THR 23 CO 0.20 0.48 0.46 0.41 -0.69 0.00 0.00 174.62 175.48 2e6p n THR 24 N 1.84 1.68 -3.29 -0.82 -1.04 -1.17 -2.82 114.28 108.68 2e6p n THR 24 Ca -0.16 -0.50 -0.15 0.00 -2.04 0.00 0.00 64.05 61.19 2e6p n THR 24 Cb 0.53 -0.51 0.08 0.00 -1.82 0.00 0.00 70.33 68.61 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 1.23 -2.11 -4.24 8.00 7.64 -1.00 -4.85 113.62 118.29 2e6p n SER 25 Ca 0.11 -0.56 -0.13 0.00 1.01 0.00 0.00 58.87 59.30 2e6p n SER 25 Cb 0.42 -4.68 -0.10 0.00 -1.01 0.00 0.00 64.21 58.84 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 -5.21 1.18 -0.26 1.43 0.41 -1.13 -4.85 118.70 110.27 2e6p s GLU 26 Ca 0.01 -1.60 -0.16 0.00 -0.41 0.00 0.00 54.97 52.80 2e6p s GLU 26 Cb -0.00 -0.04 -0.03 0.00 -1.78 0.00 0.00 34.13 32.27 2e6p s GLU 26 CO 0.66 -0.26 0.44 0.50 -0.49 0.00 0.00 175.26 176.10 2e6p s ARG 27 N -4.03 4.05 -0.23 1.61 3.52 -1.26 -0.76 118.95 121.84 2e6p s ARG 27 Ca 0.31 0.18 -0.02 0.00 -0.13 0.00 0.00 55.73 56.07 2e6p s ARG 27 Cb 0.07 -3.65 0.01 0.00 -1.56 0.00 0.00 34.95 29.83 2e6p s ARG 27 CO 0.08 -0.30 -0.07 0.08 -0.81 0.00 0.00 175.30 174.28 2e6p s VAL 28 N 2.15 2.93 -0.24 7.11 1.01 -0.74 -4.94 120.40 127.67 2e6p s VAL 28 Ca 0.18 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 2e6p s VAL 28 Cb -0.16 -2.41 0.07 0.00 0.00 0.00 0.00 36.38 33.88 2e6p s VAL 28 CO 0.09 0.31 0.01 0.54 0.00 0.00 0.00 175.10 176.06 2e6p s VAL 29 N 1.37 1.10 0.60 2.92 0.11 -1.26 0.44 120.40 125.69 2e6p s VAL 29 Ca 0.03 -1.09 -0.10 0.00 -2.93 0.00 0.00 61.98 57.89 2e6p s VAL 29 Cb -0.15 -1.56 0.14 0.00 -1.53 0.00 0.00 36.38 33.28 2e6p s VAL 29 CO -0.05 -0.27 0.80 0.18 -3.33 0.00 0.00 175.10 172.43 2e6p n LEU 30 N 4.81 0.00 -3.72 2.54 4.77 -0.47 -4.92 117.00 120.01 2e6p n LEU 30 Ca -0.08 -0.87 -0.13 0.00 -0.03 0.00 0.00 56.01 54.89 2e6p n LEU 30 Cb 0.45 -0.62 -0.10 0.00 -2.33 0.00 0.00 43.42 40.82 2e6p n LEU 30 CO 0.15 -1.10 0.10 -0.89 -1.33 0.00 0.00 177.39 174.32 2e6p s THR 31 N -2.73 -0.00 -0.03 -5.08 2.01 -1.26 -4.04 115.64 104.50 2e6p s THR 31 Ca 0.45 0.01 -0.09 0.00 0.31 0.00 0.00 61.69 62.38 2e6p s THR 31 Cb -0.01 -0.60 0.01 0.00 0.01 0.00 0.00 72.50 71.91 2e6p s THR 31 CO 0.32 0.00 0.20 0.00 -0.69 0.00 0.00 174.62 174.45 2e6p s GLU 33 N -0.79 1.24 0.33 0.00 2.12 0.90 -0.56 118.70 121.93 2e6p s GLU 33 Ca -0.09 -1.33 0.05 0.00 0.36 0.00 0.00 54.97 53.97 2e6p s GLU 33 Cb -0.05 -1.40 -0.02 0.00 0.26 0.00 0.00 34.13 32.92 2e6p s GLU 33 CO 0.02 0.30 0.20 1.28 -0.54 0.00 0.00 175.26 176.52 2e6p n LEU 34 N 0.59 0.00 -0.31 2.70 4.77 0.33 -2.88 117.00 122.20 2e6p n LEU 34 Ca -0.16 -2.82 0.06 0.00 -0.03 0.00 0.00 56.01 53.07 2e6p n LEU 34 Cb 0.56 1.24 0.01 0.00 -2.33 0.00 0.00 43.42 42.89 2e6p n LEU 34 CO 0.26 -0.45 0.26 -1.20 -1.33 0.00 0.00 177.39 174.93 2e6p n SER 35 N -1.72 1.46 -4.33 -1.43 7.64 -1.22 -4.75 113.62 109.27 2e6p n SER 35 Ca 0.01 -1.23 -0.32 0.00 1.01 0.00 0.00 58.87 58.34 2e6p n SER 35 Cb 0.54 0.40 -0.15 0.00 -1.01 0.00 0.00 64.21 63.99 2e6p n SER 35 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2e6p s ARG 36 N -1.48 2.79 0.21 1.43 1.81 -1.26 -4.97 118.95 117.48 2e6p s ARG 36 Ca 0.11 -0.80 -0.24 0.00 -1.72 0.00 0.00 55.73 53.07 2e6p s ARG 36 Cb 0.10 -2.33 -0.08 0.00 -0.45 0.00 0.00 34.95 32.18 2e6p s ARG 36 CO 0.28 0.38 0.80 0.08 -0.68 0.00 0.00 175.30 176.16 2e6p s VAL 37 N -0.12 4.37 -1.28 3.52 1.01 -1.26 -3.70 120.40 122.95 2e6p s VAL 37 Ca -0.03 1.64 0.00 0.00 0.00 0.00 0.00 61.98 63.58 2e6p s VAL 37 Cb -0.14 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.18 2e6p s VAL 37 CO 0.04 0.38 0.00 -0.67 0.00 0.00 0.00 175.10 174.85 2e6p n ASP 38 N 1.18 -4.29 -4.73 3.32 -0.08 -0.28 -4.89 116.55 106.78 2e6p n ASP 38 Ca -0.03 0.18 -0.41 0.00 -1.51 0.00 0.00 54.79 53.01 2e6p n ASP 38 Cb 0.49 -3.67 -0.04 0.00 2.34 0.00 0.00 41.12 40.24 2e6p n ASP 38 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 2e6p s PHE 39 N -2.64 3.70 0.37 -0.67 5.36 -1.24 -5.02 117.98 117.85 2e6p s PHE 39 Ca 0.00 1.69 -0.26 0.00 -0.96 0.00 0.00 56.93 57.40 2e6p s PHE 39 Cb 0.00 -3.16 -0.09 0.00 -0.34 0.00 0.00 43.02 39.43 2e6p s PHE 39 CO 0.00 -0.20 1.20 -1.25 -1.46 0.00 0.00 175.22 173.51 2e6p s PRO 40 N -0.02 4.17 0.31 10.12 0.04 -1.26 -5.03 135.00 143.33 2e6p s PRO 40 Ca 0.49 1.94 -0.16 0.00 0.04 0.00 0.00 61.00 63.31 2e6p s PRO 40 Cb -0.26 -2.82 0.02 0.00 0.04 0.00 0.00 34.50 31.49 2e6p s PRO 40 CO 0.32 -0.25 0.66 0.00 0.04 0.00 0.00 177.00 177.77 2e6p s ALA 41 N -1.32 -0.68 -0.20 8.56 0.00 -1.26 -4.62 121.76 122.25 2e6p s ALA 41 Ca 0.54 -0.68 -0.17 0.00 0.00 0.00 0.00 51.96 51.66 2e6p s ALA 41 Cb -0.33 0.88 0.05 0.00 0.00 0.00 0.00 23.12 23.72 2e6p s ALA 41 CO 0.43 -0.96 0.52 0.99 0.00 0.00 0.00 175.76 176.73 2e6p s THR 42 N -3.39 -0.00 0.48 0.00 2.01 0.11 -4.97 115.64 109.87 2e6p s THR 42 Ca 0.17 0.01 -0.10 0.00 0.31 0.00 0.00 61.69 62.08 2e6p s THR 42 Cb -0.04 -0.73 -0.06 0.00 0.01 0.00 0.00 72.50 71.68 2e6p s THR 42 CO 0.10 0.01 0.85 0.26 -0.69 0.00 0.00 174.62 175.15 2e6p s TRP 43 N 0.55 3.52 0.04 4.92 0.52 -1.26 -1.40 118.94 125.83 2e6p s TRP 43 Ca -0.02 1.09 -0.15 0.00 0.02 0.00 0.00 56.10 57.04 2e6p s TRP 43 Cb -0.04 -2.50 0.03 0.00 -1.15 0.00 0.00 33.47 29.80 2e6p s TRP 43 CO -0.03 -0.29 0.34 0.71 0.02 0.00 0.00 176.95 177.70 2e6p s TYR 44 N -2.64 -0.16 0.03 -1.98 1.51 0.13 -3.23 117.35 111.01 2e6p s TYR 44 Ca 0.52 0.05 0.04 0.00 -1.01 0.00 0.00 57.07 56.67 2e6p s TYR 44 Cb -0.10 0.14 -0.02 0.00 -0.11 0.00 0.00 41.96 41.86 2e6p s TYR 44 CO 0.39 -0.53 -0.13 0.21 -1.11 0.00 0.00 175.55 174.38 2e6p s LYS 45 N -2.54 0.93 -0.02 -0.62 2.20 0.15 -0.18 119.74 119.66 2e6p s LYS 45 Ca -0.05 -0.67 0.00 0.00 -0.36 0.00 0.00 55.97 54.89 2e6p s LYS 45 Cb -0.01 -0.92 0.00 0.00 -1.51 0.00 0.00 37.83 35.39 2e6p s LYS 45 CO -0.03 0.23 0.00 -0.25 -0.36 0.00 0.00 175.35 174.94 2e6p n ASP 46 N 2.13 -0.54 -0.23 1.43 9.92 -1.11 0.23 116.55 128.37 2e6p n ASP 46 Ca -0.17 0.25 0.00 0.00 -0.53 0.00 0.00 54.79 54.34 2e6p n ASP 46 Cb 0.55 -0.79 0.00 0.00 -0.64 0.00 0.00 41.12 40.24 2e6p n ASP 46 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2e6p n GLY 47 N -0.25 0.85 3.15 0.44 0.00 -1.26 -5.08 105.19 103.03 2e6p n GLY 47 Ca -0.00 -0.62 -0.08 0.00 0.00 0.00 0.00 46.02 45.32 2e6p n GLY 47 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2e6p s GLN 48 N -3.74 0.77 0.01 1.61 -2.07 0.63 -5.13 119.66 111.73 2e6p s GLN 48 Ca 0.00 -1.21 -0.30 0.00 -1.82 0.00 0.00 55.36 52.03 2e6p s GLN 48 Cb 0.00 0.26 -0.04 0.00 -1.09 0.00 0.00 33.01 32.13 2e6p s GLN 48 CO 0.00 -0.20 1.18 0.21 -1.32 0.00 0.00 175.29 175.16 2e6p s LYS 49 N -3.94 4.41 0.19 9.60 2.20 -1.26 0.34 119.74 131.28 2e6p s LYS 49 Ca 0.11 1.70 -0.30 0.00 -0.36 0.00 0.00 55.97 57.12 2e6p s LYS 49 Cb 0.07 -3.45 -0.08 0.00 -1.51 0.00 0.00 37.83 32.86 2e6p s LYS 49 CO -0.07 -0.32 0.98 0.14 -0.36 0.00 0.00 175.35 175.72 2e6p s VAL 50 N 1.56 4.14 -0.05 4.02 -7.23 -1.20 -4.83 120.40 116.82 2e6p s VAL 50 Ca 0.57 1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 62.43 2e6p s VAL 50 Cb -0.27 -4.26 -0.03 0.00 0.56 0.00 0.00 36.38 32.38 2e6p s VAL 50 CO 0.26 0.40 1.09 -0.70 -0.31 0.00 0.00 175.10 175.84 2e6p s GLU 51 N -0.72 4.43 -0.39 4.82 2.12 -1.26 -4.97 118.70 122.72 2e6p s GLU 51 Ca 0.44 1.53 -0.23 0.00 0.36 0.00 0.00 54.97 57.08 2e6p s GLU 51 Cb -0.26 -3.51 0.01 0.00 0.26 0.00 0.00 34.13 30.64 2e6p s GLU 51 CO 0.32 -0.30 0.76 -1.21 -0.54 0.00 0.00 175.26 174.29 2e6p s GLU 52 N 1.77 3.61 0.20 4.30 2.02 -1.26 -4.59 118.70 124.74 2e6p s GLU 52 Ca 0.53 0.11 -0.07 0.00 0.02 0.00 0.00 54.97 55.56 2e6p s GLU 52 Cb -0.22 -3.86 0.03 0.00 0.10 0.00 0.00 34.13 30.18 2e6p s GLU 52 CO 0.23 -0.93 0.38 0.45 0.02 0.00 0.00 175.26 175.41 2e6p n SER 53 N 6.46 -1.11 -0.29 -0.19 2.88 -0.79 -4.97 113.62 115.62 2e6p n SER 53 Ca 0.02 -1.82 0.09 0.00 -1.33 0.00 0.00 58.87 55.83 2e6p n SER 53 Cb 0.48 1.86 0.32 0.00 -0.75 0.00 0.00 64.21 66.13 2e6p n SER 53 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2e6p h GLU 54 N 0.00 0.79 0.00 -1.46 4.11 -2.02 0.25 114.58 116.25 2e6p h GLU 54 Ca -0.17 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.22 2e6p h GLU 54 Cb 0.62 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2e6p h GLU 54 CO 0.21 0.52 0.00 -0.07 0.07 0.00 0.00 179.01 179.74 2e6p h LEU 55 N 0.82 0.00 -7.23 3.06 3.38 -1.95 -3.40 115.31 109.98 2e6p h LEU 55 Ca 0.44 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.84 2e6p h LEU 55 Cb 0.55 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.90 2e6p h LEU 55 CO -0.20 0.00 -0.76 -0.22 0.09 0.00 0.00 178.44 177.35 2e6p s LEU 56 N -5.74 1.95 -0.19 1.67 0.20 0.87 -4.26 118.68 113.17 2e6p s LEU 56 Ca 0.04 -1.36 -0.09 0.00 0.69 0.00 0.00 54.13 53.42 2e6p s LEU 56 Cb 0.08 -0.81 -0.04 0.00 -0.43 0.00 0.00 46.19 44.98 2e6p s LEU 56 CO 0.56 -0.37 0.09 -0.69 -0.29 0.00 0.00 176.35 175.66 2e6p s VAL 57 N 1.67 5.06 -0.25 1.68 1.01 -0.81 -1.89 120.40 126.87 2e6p s VAL 57 Ca 0.05 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.12 2e6p s VAL 57 Cb -0.17 -3.30 0.05 0.00 0.00 0.00 0.00 36.38 32.96 2e6p s VAL 57 CO -0.19 0.45 -0.12 -0.69 0.00 0.00 0.00 175.10 174.55 2e6p s VAL 58 N 0.40 2.20 -0.01 2.92 1.01 -1.26 -0.66 120.40 125.00 2e6p s VAL 58 Ca 0.05 -1.54 -0.03 0.00 0.00 0.00 0.00 61.98 60.46 2e6p s VAL 58 Cb -0.12 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 2e6p s VAL 58 CO -0.01 0.04 0.19 -0.54 0.00 0.00 0.00 175.10 174.78 2e6p s LYS 59 N 1.13 3.46 -0.15 2.72 -0.14 -0.95 -5.04 119.74 120.77 2e6p s LYS 59 Ca -0.07 -0.28 -0.03 0.00 -1.36 0.00 0.00 55.97 54.23 2e6p s LYS 59 Cb -0.19 -3.10 0.05 0.00 -1.68 0.00 0.00 37.83 32.91 2e6p s LYS 59 CO -0.06 0.68 0.04 1.41 -0.76 0.00 0.00 175.35 176.66 2e6p s MET 60 N -1.87 0.42 -0.12 1.68 -2.45 -1.26 -3.04 119.30 112.66 2e6p s MET 60 Ca 0.27 -0.14 0.00 0.00 -1.25 0.00 0.00 55.69 54.57 2e6p s MET 60 Cb -0.13 -1.63 0.02 0.00 1.25 0.00 0.00 34.83 34.34 2e6p s MET 60 CO 0.18 -0.54 -0.10 -0.51 1.05 0.00 0.00 175.02 175.09 2e6p s ASP 61 N 1.99 2.30 0.00 1.11 1.01 -0.70 -5.03 116.67 117.34 2e6p s ASP 61 Ca 0.02 -0.36 0.00 0.00 0.71 0.00 0.00 52.55 52.92 2e6p s ASP 61 Cb -0.15 -0.94 0.00 0.00 1.01 0.00 0.00 42.92 42.83 2e6p s ASP 61 CO -0.07 -0.09 0.00 0.61 0.21 0.00 0.00 175.17 175.83 2e6p n GLY 62 N 4.80 1.92 2.38 0.21 0.00 -1.26 0.55 105.19 113.79 2e6p n GLY 62 Ca -0.15 0.48 -0.32 0.00 0.00 0.00 0.00 46.02 46.04 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 5.50 3.08 -3.60 1.61 1.85 -1.25 -1.13 116.66 122.72 2e6p n ARG 63 Ca 0.00 -3.77 -0.14 0.00 -1.00 0.00 0.00 57.85 52.94 2e6p n ARG 63 Cb 0.00 -2.28 -0.13 0.00 -1.05 0.00 0.00 32.46 29.01 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 -3.77 0.17 -0.05 2.89 1.02 0.19 -0.51 119.74 119.68 2e6p s LYS 64 Ca 0.56 0.60 0.05 0.00 0.02 0.00 0.00 55.97 57.20 2e6p s LYS 64 Cb 0.45 -0.35 -0.02 0.00 -0.52 0.00 0.00 37.83 37.39 2e6p s LYS 64 CO -0.11 -0.40 -0.18 -1.01 -0.92 0.00 0.00 175.35 172.73 2e6p s HIS 65 N 2.41 2.59 -0.09 3.18 3.76 0.27 -1.73 115.29 125.68 2e6p s HIS 65 Ca 0.04 -0.31 -0.11 0.00 -0.15 0.00 0.00 55.06 54.53 2e6p s HIS 65 Cb -0.13 -1.61 0.03 0.00 1.11 0.00 0.00 32.58 31.98 2e6p s HIS 65 CO -0.10 0.07 0.29 -0.98 -0.85 0.00 0.00 174.74 173.17 2e6p s ARG 66 N -0.58 0.39 -0.23 1.40 1.70 -1.17 0.86 118.95 121.32 2e6p s ARG 66 Ca 0.08 0.29 -0.07 0.00 -0.47 0.00 0.00 55.73 55.56 2e6p s ARG 66 Cb -0.11 0.19 -0.03 0.00 -0.57 0.00 0.00 34.95 34.43 2e6p s ARG 66 CO 0.01 -0.06 0.06 -1.17 -1.08 0.00 0.00 175.30 173.06 2e6p s LEU 67 N -0.12 3.48 0.04 -1.89 0.20 -1.26 -2.24 118.68 116.88 2e6p s LEU 67 Ca -0.03 -0.16 -0.01 0.00 0.69 0.00 0.00 54.13 54.63 2e6p s LEU 67 Cb -0.03 -1.92 -0.04 0.00 -0.43 0.00 0.00 46.19 43.77 2e6p s LEU 67 CO 0.01 0.01 0.19 -0.63 -0.29 0.00 0.00 176.35 175.64 2e6p s ILE 68 N 1.36 5.34 -0.07 6.68 1.01 0.17 -1.36 121.20 134.32 2e6p s ILE 68 Ca 0.05 -0.34 -0.02 0.00 0.00 0.00 0.00 60.65 60.35 2e6p s ILE 68 Cb -0.15 -3.57 0.03 0.00 0.01 0.00 0.00 42.46 38.79 2e6p s ILE 68 CO 0.03 0.20 0.02 -0.76 0.00 0.00 0.00 174.94 174.44 2e6p s LEU 69 N -2.30 0.45 0.21 2.97 1.43 0.17 -1.93 118.68 119.68 2e6p s LEU 69 Ca 0.32 -0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.34 2e6p s LEU 69 Cb -0.13 -0.34 0.18 0.00 0.03 0.00 0.00 46.19 45.93 2e6p s LEU 69 CO 0.24 -0.22 1.57 1.55 0.23 0.00 0.00 176.35 179.73 2e6p h PRO 70 N 8.36 0.59 -2.85 1.29 0.13 -1.83 -1.97 132.00 135.73 2e6p h PRO 70 Ca -0.17 -0.31 -0.46 0.00 -0.87 0.00 0.00 66.00 64.19 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 0.23 0.90 -0.74 -2.00 -0.23 0.00 0.00 178.00 176.16 2e6p s GLU 71 N -4.21 0.14 -0.80 0.86 2.12 -1.25 -4.36 118.70 111.20 2e6p s GLU 71 Ca -0.08 -0.22 -0.26 0.00 0.36 0.00 0.00 54.97 54.77 2e6p s GLU 71 Cb 0.12 -1.45 0.02 0.00 0.26 0.00 0.00 34.13 33.08 2e6p s GLU 71 CO 0.83 -0.82 1.44 0.00 -0.54 0.00 0.00 175.26 176.17 2e6p s ALA 72 N 2.16 2.60 0.53 6.30 0.00 0.06 -4.85 121.76 128.55 2e6p s ALA 72 Ca 0.06 -1.49 -0.07 0.00 0.00 0.00 0.00 51.96 50.46 2e6p s ALA 72 Cb -0.16 -4.35 -0.03 0.00 0.00 0.00 0.00 23.12 18.59 2e6p s ALA 72 CO -0.21 -3.54 0.86 0.15 0.00 0.00 0.00 175.76 173.02 2e6p s LYS 73 N 5.81 3.43 0.56 0.00 1.02 -1.26 -2.38 119.74 126.93 2e6p s LYS 73 Ca 0.44 0.27 0.27 0.00 0.02 0.00 0.00 55.97 56.97 2e6p s LYS 73 Cb -0.07 -2.29 1.51 0.00 -0.52 0.00 0.00 37.83 36.46 2e6p s LYS 73 CO 0.09 -0.38 2.02 0.28 -0.92 0.00 0.00 175.35 176.44 2e6p h VAL 74 N 0.03 0.57 -0.23 3.17 2.07 -1.94 0.00 116.25 119.92 2e6p h VAL 74 Ca -0.46 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 66.88 2e6p h VAL 74 Cb 1.21 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2e6p h VAL 74 CO 0.62 0.00 -0.58 1.56 0.02 0.00 0.00 177.57 179.18 2e6p h GLN 75 N 0.00 0.74 0.00 1.57 4.20 -1.94 -2.80 115.11 116.88 2e6p h GLN 75 Ca 0.17 -0.49 0.00 0.00 0.06 0.00 0.00 58.65 58.39 2e6p h GLN 75 Cb 0.79 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.64 2e6p h GLN 75 CO -0.00 1.12 0.00 -0.25 -0.67 0.00 0.00 178.83 179.02 2e6p n ASP 76 N -3.97 0.03 -4.56 1.46 8.00 -0.02 -4.53 116.55 112.96 2e6p n ASP 76 Ca -0.04 0.51 -0.39 0.00 0.71 0.00 0.00 54.79 55.58 2e6p n ASP 76 Cb 0.64 -0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 41.19 2e6p n ASP 76 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2e6p s SER 77 N -3.05 5.37 -0.00 -2.24 0.01 -1.06 -4.84 113.70 107.89 2e6p s SER 77 Ca 0.01 0.56 -0.03 0.00 1.31 0.00 0.00 55.95 57.80 2e6p s SER 77 Cb 0.01 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.73 2e6p s SER 77 CO 0.04 -2.26 0.13 0.61 0.41 0.00 0.00 173.24 172.18 2e6p n GLY 78 N 5.65 0.65 3.80 3.44 0.00 -0.03 -4.90 105.19 113.80 2e6p n GLY 78 Ca 0.22 -0.86 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 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 4.07 -0.05 1.61 -6.30 -1.26 -1.68 118.70 113.09 2e6p s GLU 79 Ca 0.03 0.44 0.04 0.00 -2.50 0.00 0.00 54.97 52.98 2e6p s GLU 79 Cb -0.00 -3.29 -0.03 0.00 0.00 0.00 0.00 34.13 30.82 2e6p s GLU 79 CO -0.00 0.53 -0.15 -0.06 0.02 0.00 0.00 175.26 175.61 2e6p s PHE 80 N -0.59 2.70 0.03 5.30 0.40 -0.01 -2.77 117.98 123.04 2e6p s PHE 80 Ca 0.24 -0.19 0.05 0.00 -0.60 0.00 0.00 56.93 56.43 2e6p s PHE 80 Cb -0.16 -1.64 -0.02 0.00 0.51 0.00 0.00 43.02 41.71 2e6p s PHE 80 CO 0.13 0.16 -0.14 -2.00 0.70 0.00 0.00 175.22 174.06 2e6p s GLU 81 N -0.67 1.01 -0.71 0.44 2.12 0.75 -0.73 118.70 120.91 2e6p s GLU 81 Ca 0.10 -0.70 0.03 0.00 0.36 0.00 0.00 54.97 54.77 2e6p s GLU 81 Cb -0.11 -1.02 0.17 0.00 0.26 0.00 0.00 34.13 33.44 2e6p s GLU 81 CO 0.01 0.26 0.51 0.00 -0.54 0.00 0.00 175.26 175.50 2e6p s ARG 83 N -1.22 4.25 0.00 0.00 3.52 -0.50 -2.81 118.95 122.19 2e6p s ARG 83 Ca 0.24 0.93 0.00 0.00 -0.13 0.00 0.00 55.73 56.77 2e6p s ARG 83 Cb -0.09 -2.67 0.00 0.00 -1.56 0.00 0.00 34.95 30.64 2e6p s ARG 83 CO -0.13 0.26 0.00 -2.37 -0.81 0.00 0.00 175.30 172.25 2e6p n THR 84 N 0.25 0.00 0.01 4.11 5.66 -1.05 0.06 114.28 123.31 2e6p n THR 84 Ca 0.01 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.01 2e6p n THR 84 Cb 0.52 -0.29 -0.00 0.00 -1.55 0.00 0.00 70.33 69.00 2e6p n THR 84 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2e6p n GLU 85 N -1.64 0.03 0.00 1.09 1.02 -1.26 -4.82 120.64 115.05 2e6p n GLU 85 Ca 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2e6p n GLU 85 Cb 0.00 -0.28 0.00 0.00 -0.02 0.00 0.00 31.44 31.14 2e6p n GLU 85 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2e6p n GLY 86 N 3.19 0.81 3.46 0.62 0.00 -1.26 -5.08 105.19 106.93 2e6p n GLY 86 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.68 2.26 0.22 1.61 -7.23 -1.26 -5.16 120.40 110.17 2e6p s VAL 87 Ca 0.00 -2.32 -0.14 0.00 -1.81 0.00 0.00 61.98 57.70 2e6p s VAL 87 Cb 0.00 -2.33 0.01 0.00 0.56 0.00 0.00 36.38 34.61 2e6p s VAL 87 CO 0.00 -0.39 0.49 -0.44 -0.31 0.00 0.00 175.10 174.45 2e6p s SER 88 N -3.49 -0.14 0.57 4.85 0.01 -1.26 -2.54 113.70 111.70 2e6p s SER 88 Ca 0.29 -0.77 0.06 0.00 1.31 0.00 0.00 55.95 56.85 2e6p s SER 88 Cb -0.02 0.58 0.06 0.00 0.21 0.00 0.00 66.02 66.84 2e6p s SER 88 CO 0.14 -1.10 0.52 0.00 0.41 0.00 0.00 173.24 173.21 2e6p s ALA 89 N -3.96 4.56 -0.15 1.44 0.00 -1.12 -4.85 121.76 117.67 2e6p s ALA 89 Ca 0.17 -1.46 -0.10 0.00 0.00 0.00 0.00 51.96 50.57 2e6p s ALA 89 Cb -0.01 -0.92 0.05 0.00 0.00 0.00 0.00 23.12 22.24 2e6p s ALA 89 CO 0.04 -0.59 0.38 -0.06 0.00 0.00 0.00 175.76 175.53 2e6p s PHE 90 N -2.77 -0.50 -0.03 0.00 0.40 -1.25 -3.26 117.98 110.57 2e6p s PHE 90 Ca 0.41 1.12 -0.01 0.00 -0.60 0.00 0.00 56.93 57.85 2e6p s PHE 90 Cb -0.03 0.19 0.03 0.00 0.51 0.00 0.00 43.02 43.72 2e6p s PHE 90 CO 0.26 -0.27 0.06 -0.06 0.70 0.00 0.00 175.22 175.90 2e6p s PHE 91 N 0.91 -0.02 -0.83 0.36 0.40 0.09 -3.62 117.98 115.27 2e6p s PHE 91 Ca -0.06 0.21 -0.16 0.00 -0.60 0.00 0.00 56.93 56.33 2e6p s PHE 91 Cb -0.06 -0.18 0.19 0.00 0.51 0.00 0.00 43.02 43.47 2e6p s PHE 91 CO -0.07 -0.10 0.85 0.20 0.70 0.00 0.00 175.22 176.79 2e6p s GLY 92 N 1.03 2.41 -0.09 4.36 0.00 -1.08 -0.83 107.32 113.12 2e6p s GLY 92 Ca -0.08 -3.09 -0.15 0.00 0.00 0.00 0.00 44.72 41.39 2e6p s GLY 92 CO -0.04 1.47 0.39 0.14 0.00 0.00 0.00 173.10 175.06 2e6p s VAL 93 N 1.00 5.18 -0.05 1.40 1.01 -0.67 -0.20 120.40 128.07 2e6p s VAL 93 Ca 0.21 0.77 -0.01 0.00 0.00 0.00 0.00 61.98 62.95 2e6p s VAL 93 Cb -0.10 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.59 2e6p s VAL 93 CO -0.08 0.43 0.01 -0.89 0.00 0.00 0.00 175.10 174.57 2e6p s THR 94 N -0.01 0.23 -0.18 3.92 2.01 -0.89 -0.85 115.64 119.88 2e6p s THR 94 Ca 0.22 0.14 -0.06 0.00 0.31 0.00 0.00 61.69 62.30 2e6p s THR 94 Cb -0.15 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.95 2e6p s THR 94 CO 0.09 0.20 0.03 -0.69 -0.69 0.00 0.00 174.62 173.56 2e6p s VAL 95 N 1.59 4.47 -0.20 3.82 1.01 -1.26 -0.32 120.40 129.50 2e6p s VAL 95 Ca -0.02 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.83 2e6p s VAL 95 Cb -0.13 -3.00 0.05 0.00 0.00 0.00 0.00 36.38 33.29 2e6p s VAL 95 CO -0.03 0.46 -0.09 -1.10 0.00 0.00 0.00 175.10 174.34 2e6p s GLN 96 N 0.44 1.93 0.27 2.72 -0.21 -0.48 -4.80 119.66 119.53 2e6p s GLN 96 Ca 0.01 -0.84 -0.30 0.00 0.02 0.00 0.00 55.36 54.24 2e6p s GLN 96 Cb -0.13 -2.41 -0.11 0.00 1.00 0.00 0.00 33.01 31.35 2e6p s GLN 96 CO 0.01 -0.45 1.62 0.16 -2.12 0.00 0.00 175.29 174.51 2e6p s ASP 97 N 1.41 6.38 1.09 5.90 1.47 -1.26 -3.03 116.67 128.64 2e6p s ASP 97 Ca -0.02 2.92 -0.07 0.00 1.18 0.00 0.00 52.55 56.56 2e6p s ASP 97 Cb -0.17 -2.63 0.11 0.00 -0.34 0.00 0.00 42.92 39.90 2e6p s ASP 97 CO -0.08 -0.92 0.39 -0.81 0.68 0.00 0.00 175.17 174.43 2e6p n PRO 98 N 2.64 -1.79 -3.76 2.11 -0.04 -1.26 -4.92 135.00 127.99 2e6p n PRO 98 Ca 0.10 -0.63 -0.28 0.00 -0.04 0.00 0.00 63.50 62.65 2e6p n PRO 98 Cb 0.37 -0.59 -0.12 0.00 -0.04 0.00 0.00 33.50 33.12 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 -2.56 3.80 1.12 3.54 0.01 -1.26 -5.10 113.70 113.24 2e6p s SER 99 Ca 0.25 -3.39 -0.07 0.00 1.31 0.00 0.00 55.95 54.05 2e6p s SER 99 Cb -0.03 -1.26 0.11 0.00 0.21 0.00 0.00 66.02 65.06 2e6p s SER 99 CO 0.20 -0.15 0.30 0.61 0.41 0.00 0.00 173.24 174.61 2e6p n GLY 100 N 2.54 -3.23 0.23 3.44 0.00 -1.26 -4.94 105.19 101.97 2e6p n GLY 100 Ca 0.19 -1.35 -0.08 0.00 0.00 0.00 0.00 46.02 44.78 2e6p n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e6p h PRO 101 N 0.00 0.61 -4.84 1.61 0.13 -2.05 -3.44 132.00 124.01 2e6p h PRO 101 Ca -0.13 -0.32 -0.38 0.00 -0.87 0.00 0.00 66.00 64.31 2e6p h PRO 101 Cb 0.41 0.01 -0.26 0.00 0.13 0.00 0.00 31.00 31.29 2e6p h PRO 101 CO 0.08 0.92 -0.77 -1.12 -0.23 0.00 0.00 178.00 176.87 2e6p s SER 102 N -6.86 1.17 0.26 1.44 0.01 -1.26 -5.13 113.70 103.32 2e6p s SER 102 Ca -0.08 -0.34 -0.30 0.00 1.31 0.00 0.00 55.95 56.55 2e6p s SER 102 Cb 0.12 -0.07 -0.09 0.00 0.21 0.00 0.00 66.02 66.18 2e6p s SER 102 CO 0.83 0.01 1.15 -0.94 0.41 0.00 0.00 173.24 174.70 2e6p s SER 103 N -0.81 7.16 0.00 2.44 1.04 -1.26 -5.13 113.70 117.14 2e6p s SER 103 Ca -0.00 2.30 0.00 0.00 0.48 0.00 0.00 55.95 58.73 2e6p s SER 103 Cb -0.06 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.43 2e6p s SER 103 CO 0.00 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.58