#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 3.26 0.22 1.61 0.15 -1.26 -5.12 113.70 112.56 2e6p s SER 2 Ca 0.00 -0.60 0.01 0.00 0.70 0.00 0.00 55.95 56.06 2e6p s SER 2 Cb 0.00 -1.49 -0.04 0.00 -1.71 0.00 0.00 66.02 62.78 2e6p s SER 2 CO 0.00 0.04 0.39 -0.44 1.20 0.00 0.00 173.24 174.43 2e6p s SER 3 N 1.07 6.35 0.14 5.45 0.01 -1.26 -5.04 113.70 120.42 2e6p s SER 3 Ca -0.01 0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.57 2e6p s SER 3 Cb -0.14 -1.97 0.00 0.00 0.21 0.00 0.00 66.02 64.12 2e6p s SER 3 CO -0.07 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.13 2e6p n GLY 4 N -0.92 -0.10 2.64 3.44 0.00 -1.26 -5.00 105.19 103.99 2e6p n GLY 4 Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 2e6p n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e6p s SER 5 N -5.67 3.15 0.25 1.61 1.04 -1.26 -4.98 113.70 107.84 2e6p s SER 5 Ca 0.00 -3.07 -0.05 0.00 0.48 0.00 0.00 55.95 53.31 2e6p s SER 5 Cb 0.00 -0.95 0.47 0.00 0.10 0.00 0.00 66.02 65.65 2e6p s SER 5 CO 0.00 -0.19 1.67 0.28 0.98 0.00 0.00 173.24 175.98 2e6p h SER 6 N 6.02 -0.07 -3.85 7.02 0.02 -2.03 -3.48 113.55 117.19 2e6p h SER 6 Ca 0.13 0.16 0.13 0.00 -0.84 0.00 0.00 61.79 61.37 2e6p h SER 6 Cb 0.88 0.24 -0.07 0.00 0.14 0.00 0.00 62.40 63.58 2e6p h SER 6 CO 0.49 -0.08 -0.59 0.61 -1.14 0.00 0.00 176.83 176.12 2e6p n GLY 7 N -1.37 -3.09 0.06 -3.77 0.00 -1.26 -4.76 105.19 91.00 2e6p n GLY 7 Ca 0.15 -1.22 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.52 0.03 -1.05 1.61 0.13 -1.98 -3.47 132.00 126.75 2e6p h PRO 8 Ca -0.08 -0.02 0.17 0.00 -0.87 0.00 0.00 66.00 65.21 2e6p h PRO 8 Cb 0.63 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.49 2e6p h PRO 8 CO 0.03 0.51 0.39 0.54 -0.23 0.00 0.00 178.00 179.24 2e6p s VAL 9 N -4.25 -0.22 -0.07 1.56 0.11 -1.26 -4.82 120.40 111.45 2e6p s VAL 9 Ca -0.16 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 58.91 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 0.68 0.00 -0.10 -1.38 -3.33 0.00 0.00 175.10 170.97 2e6p s HIS 10 N 1.86 1.31 0.48 1.54 -3.43 -1.26 -4.65 115.29 111.14 2e6p s HIS 10 Ca -0.05 -0.50 -0.21 0.00 -0.80 0.00 0.00 55.06 53.51 2e6p s HIS 10 Cb -0.04 -1.01 -0.11 0.00 -1.43 0.00 0.00 32.58 29.99 2e6p s HIS 10 CO -0.15 -0.30 0.59 -0.89 -2.00 0.00 0.00 174.74 171.99 2e6p n ILE 11 N 4.05 2.01 -0.03 -5.38 5.41 -1.26 -3.85 119.36 120.31 2e6p n ILE 11 Ca -0.22 -0.50 -0.04 0.00 1.00 0.00 0.00 62.75 63.00 2e6p n ILE 11 Cb 0.51 -0.66 -0.04 0.00 -0.71 0.00 0.00 39.64 38.74 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 0.91 1.45 -3.68 1.39 4.77 -1.14 -4.95 117.00 115.74 2e6p n LEU 12 Ca 0.11 -0.02 -0.09 0.00 -0.03 0.00 0.00 56.01 55.98 2e6p n LEU 12 Cb 0.43 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.37 2e6p n LEU 12 CO 0.54 0.37 0.09 -0.44 -1.33 0.00 0.00 177.39 176.62 2e6p s SER 13 N -4.15 -0.54 1.15 -1.43 0.01 -1.26 -4.24 113.70 103.23 2e6p s SER 13 Ca -0.06 1.02 -0.12 0.00 1.31 0.00 0.00 55.95 58.10 2e6p s SER 13 Cb 0.02 1.02 0.18 0.00 0.21 0.00 0.00 66.02 67.45 2e6p s SER 13 CO 0.19 -0.21 0.64 -0.81 0.41 0.00 0.00 173.24 173.46 2e6p n PRO 14 N 4.54 -2.27 -0.09 12.44 -0.04 -1.26 0.98 135.00 149.30 2e6p n PRO 14 Ca -0.20 -1.02 -0.16 0.00 -0.04 0.00 0.00 63.50 62.08 2e6p n PRO 14 Cb 0.54 -0.96 -0.13 0.00 -0.04 0.00 0.00 33.50 32.91 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 -3.46 0.68 -4.17 0.54 6.02 -1.26 -4.91 117.38 110.81 2e6p n GLN 15 Ca 0.09 0.15 -0.13 0.00 -0.01 0.00 0.00 57.00 57.10 2e6p n GLN 15 Cb 0.34 -1.58 -0.08 0.00 1.02 0.00 0.00 30.24 29.94 2e6p n GLN 15 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2e6p s ASP 16 N -6.38 0.51 0.11 1.08 2.15 -1.26 -5.05 116.67 107.82 2e6p s ASP 16 Ca -0.25 -1.40 -0.35 0.00 0.43 0.00 0.00 52.55 50.97 2e6p s ASP 16 Cb 0.08 0.48 -0.17 0.00 -0.30 0.00 0.00 42.92 43.01 2e6p s ASP 16 CO 0.70 -0.98 1.23 1.17 -0.17 0.00 0.00 175.17 177.12 2e6p n LYS 17 N -0.39 1.03 -4.04 4.34 0.00 -1.26 -4.77 118.16 113.07 2e6p n LYS 17 Ca 0.02 0.37 -0.24 0.00 0.00 0.00 0.00 58.31 58.47 2e6p n LYS 17 Cb 0.64 -1.93 -0.06 0.00 0.00 0.00 0.00 35.03 33.68 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 0.15 2.50 -0.03 3.15 -7.23 0.07 -5.00 120.40 114.02 2e6p s VAL 18 Ca 0.80 -1.65 0.01 0.00 -1.81 0.00 0.00 61.98 59.33 2e6p s VAL 18 Cb -0.94 -2.99 0.02 0.00 0.56 0.00 0.00 36.38 33.03 2e6p s VAL 18 CO 0.50 -0.04 -0.02 -0.55 -0.31 0.00 0.00 175.10 174.68 2e6p s SER 19 N -3.93 0.58 0.20 4.85 0.15 -1.26 0.08 113.70 114.37 2e6p s SER 19 Ca 0.41 -0.07 -0.04 0.00 0.70 0.00 0.00 55.95 56.96 2e6p s SER 19 Cb 0.01 -0.25 -0.03 0.00 -1.71 0.00 0.00 66.02 64.04 2e6p s SER 19 CO 0.23 -0.05 0.20 -0.76 1.20 0.00 0.00 173.24 174.06 2e6p s LEU 20 N 0.75 1.05 -0.02 3.45 1.43 0.11 -4.88 118.68 120.57 2e6p s LEU 20 Ca -0.08 -1.24 -0.04 0.00 -1.03 0.00 0.00 54.13 51.74 2e6p s LEU 20 Cb -0.12 0.70 0.00 0.00 0.03 0.00 0.00 46.19 46.81 2e6p s LEU 20 CO -0.01 -0.89 0.10 -0.89 0.23 0.00 0.00 176.35 174.89 2e6p s THR 21 N -4.10 0.04 0.25 5.49 2.01 -1.26 -3.04 115.64 115.03 2e6p s THR 21 Ca 0.32 -0.33 0.02 0.00 0.31 0.00 0.00 61.69 62.01 2e6p s THR 21 Cb 0.05 -0.26 -0.04 0.00 0.01 0.00 0.00 72.50 72.27 2e6p s THR 21 CO 0.09 -0.18 0.17 -0.36 -0.69 0.00 0.00 174.62 173.65 2e6p s PHE 22 N -0.58 1.40 0.01 4.92 0.40 0.44 -4.92 117.98 119.64 2e6p s PHE 22 Ca -0.07 -1.45 0.04 0.00 -0.60 0.00 0.00 56.93 54.86 2e6p s PHE 22 Cb -0.04 -0.66 -0.03 0.00 0.51 0.00 0.00 43.02 42.80 2e6p s PHE 22 CO 0.00 -0.68 -0.11 0.99 0.70 0.00 0.00 175.22 176.12 2e6p s THR 23 N -3.87 3.30 0.44 0.64 2.01 -1.26 -0.48 115.64 116.42 2e6p s THR 23 Ca 0.39 -0.89 -0.22 0.00 0.31 0.00 0.00 61.69 61.28 2e6p s THR 23 Cb 0.05 -2.40 -0.12 0.00 0.01 0.00 0.00 72.50 70.04 2e6p s THR 23 CO 0.17 0.40 0.56 0.41 -0.69 0.00 0.00 174.62 175.47 2e6p n THR 24 N 1.66 1.83 -3.32 -0.82 -1.04 -1.11 -2.66 114.28 108.82 2e6p n THR 24 Ca -0.16 -0.50 -0.16 0.00 -2.04 0.00 0.00 64.05 61.19 2e6p n THR 24 Cb 0.52 -0.58 0.08 0.00 -1.82 0.00 0.00 70.33 68.53 2e6p n THR 24 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2e6p n SER 25 N 1.17 -2.76 -4.00 8.00 3.41 -0.33 -4.90 113.62 114.21 2e6p n SER 25 Ca 0.11 -0.54 -0.22 0.00 -0.26 0.00 0.00 58.87 57.96 2e6p n SER 25 Cb 0.41 -4.64 -0.09 0.00 -0.26 0.00 0.00 64.21 59.63 2e6p n SER 25 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2e6p s GLU 26 N -5.40 1.77 -0.31 4.33 0.41 -1.09 -4.80 118.70 113.62 2e6p s GLU 26 Ca 0.10 -2.04 -0.11 0.00 -0.41 0.00 0.00 54.97 52.51 2e6p s GLU 26 Cb -0.04 -0.33 -0.02 0.00 -1.78 0.00 0.00 34.13 31.96 2e6p s GLU 26 CO 0.65 -0.47 0.18 0.50 -0.49 0.00 0.00 175.26 175.63 2e6p s ARG 27 N -3.73 3.51 -0.28 1.61 3.52 -1.26 -0.54 118.95 121.79 2e6p s ARG 27 Ca 0.31 -0.61 -0.05 0.00 -0.13 0.00 0.00 55.73 55.25 2e6p s ARG 27 Cb 0.04 -3.63 0.01 0.00 -1.56 0.00 0.00 34.95 29.81 2e6p s ARG 27 CO 0.17 -0.36 0.03 0.08 -0.81 0.00 0.00 175.30 174.41 2e6p s VAL 28 N 1.67 3.59 -0.10 7.11 1.01 -0.97 -4.94 120.40 127.76 2e6p s VAL 28 Ca 0.06 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 2e6p s VAL 28 Cb -0.17 -2.84 0.03 0.00 0.00 0.00 0.00 36.38 33.40 2e6p s VAL 28 CO 0.08 0.13 -0.06 0.54 0.00 0.00 0.00 175.10 175.79 2e6p s VAL 29 N 1.44 0.88 0.37 2.92 0.11 -1.26 -0.34 120.40 124.53 2e6p s VAL 29 Ca 0.02 -0.20 0.00 0.00 -2.93 0.00 0.00 61.98 58.87 2e6p s VAL 29 Cb -0.17 -0.93 0.07 0.00 -1.53 0.00 0.00 36.38 33.83 2e6p s VAL 29 CO 0.00 0.34 0.51 0.18 -3.33 0.00 0.00 175.10 172.80 2e6p n LEU 30 N 4.94 0.00 -3.68 2.54 4.77 -0.69 -4.96 117.00 119.92 2e6p n LEU 30 Ca -0.12 -1.09 -0.12 0.00 -0.03 0.00 0.00 56.01 54.66 2e6p n LEU 30 Cb 0.50 -0.33 -0.09 0.00 -2.33 0.00 0.00 43.42 41.17 2e6p n LEU 30 CO 0.16 -0.75 0.21 -0.89 -1.33 0.00 0.00 177.39 174.79 2e6p s THR 31 N -1.45 -0.01 -0.01 -5.08 2.01 -1.26 -4.13 115.64 105.70 2e6p s THR 31 Ca 0.34 0.02 -0.04 0.00 0.31 0.00 0.00 61.69 62.33 2e6p s THR 31 Cb -0.02 -0.77 0.00 0.00 0.01 0.00 0.00 72.50 71.72 2e6p s THR 31 CO 0.23 0.01 0.08 0.00 -0.69 0.00 0.00 174.62 174.24 2e6p s GLU 33 N -0.64 1.43 0.32 0.00 2.12 0.28 -1.54 118.70 120.66 2e6p s GLU 33 Ca -0.07 -1.35 0.03 0.00 0.36 0.00 0.00 54.97 53.94 2e6p s GLU 33 Cb -0.04 -1.91 -0.05 0.00 0.26 0.00 0.00 34.13 32.39 2e6p s GLU 33 CO 0.00 0.45 0.09 -0.51 -0.54 0.00 0.00 175.26 174.76 2e6p s LEU 34 N -2.10 1.92 -0.35 2.70 1.43 0.35 -2.91 118.68 119.73 2e6p s LEU 34 Ca 0.15 -1.45 0.07 0.00 -1.03 0.00 0.00 54.13 51.86 2e6p s LEU 34 Cb -0.10 -0.14 0.53 0.00 0.03 0.00 0.00 46.19 46.51 2e6p s LEU 34 CO 0.06 -0.74 1.57 -0.24 0.23 0.00 0.00 176.35 177.24 2e6p n SER 35 N -0.76 3.14 -3.41 2.29 2.88 -1.25 -4.76 113.62 111.75 2e6p n SER 35 Ca -0.02 -3.76 0.01 0.00 -1.33 0.00 0.00 58.87 53.77 2e6p n SER 35 Cb 0.66 -0.68 -0.03 0.00 -0.75 0.00 0.00 64.21 63.41 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 -3.32 0.56 0.37 -1.46 0.52 -1.26 -4.81 118.95 109.56 2e6p s ARG 36 Ca 0.49 1.22 -0.26 0.00 -0.52 0.00 0.00 55.73 56.66 2e6p s ARG 36 Cb 0.43 0.71 -0.09 0.00 0.52 0.00 0.00 34.95 36.52 2e6p s ARG 36 CO 0.02 -0.39 1.13 0.08 0.02 0.00 0.00 175.30 176.16 2e6p s VAL 37 N 2.87 3.34 -1.16 3.52 1.01 -1.26 -3.46 120.40 125.26 2e6p s VAL 37 Ca 0.06 1.15 -0.06 0.00 0.00 0.00 0.00 61.98 63.14 2e6p s VAL 37 Cb -0.13 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.60 2e6p s VAL 37 CO -0.20 0.13 1.00 0.47 0.00 0.00 0.00 175.10 176.50 2e6p n ASP 38 N 0.29 -4.95 -4.77 3.32 9.92 -0.48 -4.88 116.55 115.00 2e6p n ASP 38 Ca 0.03 -0.49 -0.36 0.00 -0.53 0.00 0.00 54.79 53.44 2e6p n ASP 38 Cb 0.47 -4.51 -0.08 0.00 -0.64 0.00 0.00 41.12 36.36 2e6p n ASP 38 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 2e6p s PHE 39 N -3.29 3.36 0.58 1.24 5.36 -1.23 -5.10 117.98 118.91 2e6p s PHE 39 Ca 0.39 0.34 -0.18 0.00 -0.96 0.00 0.00 56.93 56.53 2e6p s PHE 39 Cb -0.17 -1.86 -0.04 0.00 -0.34 0.00 0.00 43.02 40.61 2e6p s PHE 39 CO 0.64 0.59 1.12 -1.25 -1.46 0.00 0.00 175.22 174.86 2e6p s PRO 40 N -0.94 3.16 0.21 10.12 0.04 -1.26 -5.03 135.00 141.31 2e6p s PRO 40 Ca 0.14 1.53 -0.23 0.00 0.04 0.00 0.00 61.00 62.48 2e6p s PRO 40 Cb -0.12 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.48 2e6p s PRO 40 CO 0.03 -0.98 0.86 0.00 0.04 0.00 0.00 177.00 176.94 2e6p s ALA 41 N -1.97 -1.45 -0.12 8.56 0.00 -1.26 -4.53 121.76 120.99 2e6p s ALA 41 Ca 0.71 -0.09 -0.15 0.00 0.00 0.00 0.00 51.96 52.43 2e6p s ALA 41 Cb -0.23 0.73 0.04 0.00 0.00 0.00 0.00 23.12 23.66 2e6p s ALA 41 CO 0.32 -1.04 0.40 0.99 0.00 0.00 0.00 175.76 176.43 2e6p s THR 42 N -3.52 0.01 -0.10 0.00 2.01 -0.06 -4.99 115.64 108.99 2e6p s THR 42 Ca 0.12 -0.09 -0.14 0.00 0.31 0.00 0.00 61.69 61.89 2e6p s THR 42 Cb -0.03 -0.59 -0.05 0.00 0.01 0.00 0.00 72.50 71.83 2e6p s THR 42 CO 0.05 -0.05 0.33 0.26 -0.69 0.00 0.00 174.62 174.51 2e6p s TRP 43 N -0.14 3.56 -0.06 4.92 0.52 -1.26 -1.11 118.94 125.37 2e6p s TRP 43 Ca -0.03 0.73 0.02 0.00 0.02 0.00 0.00 56.10 56.85 2e6p s TRP 43 Cb -0.03 -2.30 0.01 0.00 -1.15 0.00 0.00 33.47 30.00 2e6p s TRP 43 CO 0.02 0.41 -0.12 0.71 0.02 0.00 0.00 176.95 177.99 2e6p s TYR 44 N -0.16 1.41 -0.13 -1.98 2.02 0.15 -2.37 117.35 116.30 2e6p s TYR 44 Ca 0.19 -0.50 0.02 0.00 -0.37 0.00 0.00 57.07 56.41 2e6p s TYR 44 Cb -0.14 -1.03 -0.00 0.00 -0.40 0.00 0.00 41.96 40.38 2e6p s TYR 44 CO 0.07 -0.26 -0.19 0.21 -1.57 0.00 0.00 175.55 173.82 2e6p s LYS 45 N 0.62 3.15 -1.49 -0.62 2.20 -0.37 0.14 119.74 123.36 2e6p s LYS 45 Ca -0.13 -0.80 -0.13 0.00 -0.36 0.00 0.00 55.97 54.54 2e6p s LYS 45 Cb -0.15 -2.49 0.09 0.00 -1.51 0.00 0.00 37.83 33.78 2e6p s LYS 45 CO 0.03 0.09 0.76 -3.47 -0.36 0.00 0.00 175.35 172.41 2e6p n ASP 46 N 3.82 -4.25 -2.23 1.43 2.03 -1.17 -0.54 116.55 115.64 2e6p n ASP 46 Ca -0.19 -0.67 -0.15 0.00 0.52 0.00 0.00 54.79 54.30 2e6p n ASP 46 Cb 0.52 -3.44 0.03 0.00 -0.72 0.00 0.00 41.12 37.51 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 -1.45 -0.10 3.11 0.27 0.00 -1.26 -5.02 105.19 100.75 2e6p n GLY 47 Ca 0.02 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 -5.48 0.23 0.39 1.61 -0.21 0.30 -5.14 119.66 111.36 2e6p s GLN 48 Ca 0.26 0.79 -0.23 0.00 0.02 0.00 0.00 55.36 56.20 2e6p s GLN 48 Cb -0.11 0.04 -0.13 0.00 1.00 0.00 0.00 33.01 33.81 2e6p s GLN 48 CO 0.32 -0.24 0.54 1.17 -2.12 0.00 0.00 175.29 174.96 2e6p n LYS 49 N 5.04 0.53 -3.65 2.91 4.81 -1.26 -1.24 118.16 125.30 2e6p n LYS 49 Ca -0.12 0.19 -0.32 0.00 -0.87 0.00 0.00 58.31 57.20 2e6p n LYS 49 Cb 0.51 -1.44 -0.05 0.00 0.02 0.00 0.00 35.03 34.07 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 -1.42 5.15 -0.15 3.15 -7.23 -1.00 -4.76 120.40 114.15 2e6p s VAL 50 Ca 0.62 0.08 -0.08 0.00 -1.81 0.00 0.00 61.98 60.79 2e6p s VAL 50 Cb -0.64 -3.62 -0.04 0.00 0.56 0.00 0.00 36.38 32.63 2e6p s VAL 50 CO 0.59 0.05 0.13 -1.61 -0.31 0.00 0.00 175.10 173.94 2e6p s GLU 51 N -2.63 3.76 -0.28 4.82 8.01 -1.26 -4.96 118.70 126.16 2e6p s GLU 51 Ca 0.41 -0.18 -0.24 0.00 0.01 0.00 0.00 54.97 54.97 2e6p s GLU 51 Cb -0.12 -3.28 -0.00 0.00 -4.31 0.00 0.00 34.13 26.42 2e6p s GLU 51 CO 0.24 0.56 0.81 -1.21 0.01 0.00 0.00 175.26 175.67 2e6p s GLU 52 N -0.40 4.06 0.34 1.61 2.02 -1.26 -4.65 118.70 120.42 2e6p s GLU 52 Ca 0.12 0.75 -0.18 0.00 0.02 0.00 0.00 54.97 55.67 2e6p s GLU 52 Cb -0.12 -3.69 0.04 0.00 0.10 0.00 0.00 34.13 30.46 2e6p s GLU 52 CO 0.01 -0.62 0.76 -1.54 0.02 0.00 0.00 175.26 173.90 2e6p s SER 53 N 1.51 -0.10 0.46 -0.19 1.04 -0.94 -4.96 113.70 110.51 2e6p s SER 53 Ca 0.34 -0.93 0.23 0.00 0.48 0.00 0.00 55.95 56.07 2e6p s SER 53 Cb -0.15 0.80 1.23 0.00 0.10 0.00 0.00 66.02 68.01 2e6p s SER 53 CO 0.10 -1.55 1.86 1.05 0.98 0.00 0.00 173.24 175.68 2e6p h GLU 54 N 2.00 0.25 0.00 4.02 4.11 -2.02 0.76 114.58 123.70 2e6p h GLU 54 Ca -0.27 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.13 2e6p h GLU 54 Cb 1.25 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 2e6p h GLU 54 CO 0.34 0.16 -0.10 -0.07 0.07 0.00 0.00 179.01 179.41 2e6p h LEU 55 N 0.25 0.00 -7.53 3.06 3.38 -1.95 -3.42 115.31 109.11 2e6p h LEU 55 Ca 0.47 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.84 2e6p h LEU 55 Cb 1.42 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.78 2e6p h LEU 55 CO -0.13 0.10 -0.77 -0.22 0.09 0.00 0.00 178.44 177.51 2e6p s LEU 56 N -6.29 2.58 -0.17 1.67 0.20 0.26 -4.24 118.68 112.70 2e6p s LEU 56 Ca 0.05 -1.30 -0.08 0.00 0.69 0.00 0.00 54.13 53.49 2e6p s LEU 56 Cb 0.06 -1.11 -0.04 0.00 -0.43 0.00 0.00 46.19 44.67 2e6p s LEU 56 CO 0.66 -0.28 0.09 -0.69 -0.29 0.00 0.00 176.35 175.84 2e6p s VAL 57 N 1.43 5.09 -0.14 1.68 1.01 -0.27 -2.22 120.40 126.99 2e6p s VAL 57 Ca -0.01 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.04 2e6p s VAL 57 Cb -0.18 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 32.93 2e6p s VAL 57 CO -0.09 0.48 -0.12 -0.69 0.00 0.00 0.00 175.10 174.68 2e6p s VAL 58 N 0.09 1.40 0.17 2.92 1.01 -1.26 0.27 120.40 125.00 2e6p s VAL 58 Ca 0.07 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.56 2e6p s VAL 58 Cb -0.12 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 2e6p s VAL 58 CO -0.00 0.43 0.28 -0.54 0.00 0.00 0.00 175.10 175.26 2e6p s LYS 59 N 1.56 3.36 -0.14 2.72 -0.14 -0.81 -5.02 119.74 121.28 2e6p s LYS 59 Ca 0.05 -0.68 -0.04 0.00 -1.36 0.00 0.00 55.97 53.94 2e6p s LYS 59 Cb -0.13 -2.90 0.06 0.00 -1.68 0.00 0.00 37.83 33.19 2e6p s LYS 59 CO -0.10 0.49 0.17 1.41 -0.76 0.00 0.00 175.35 176.57 2e6p s MET 60 N -3.39 0.09 -0.25 1.68 -2.45 -1.26 -3.54 119.30 110.18 2e6p s MET 60 Ca 0.34 0.34 -0.01 0.00 -1.25 0.00 0.00 55.69 55.11 2e6p s MET 60 Cb -0.10 -0.83 0.08 0.00 1.25 0.00 0.00 34.83 35.22 2e6p s MET 60 CO 0.28 -0.48 0.05 0.34 1.05 0.00 0.00 175.02 176.26 2e6p s ASP 61 N 2.28 3.56 0.19 1.11 2.15 -0.58 -5.02 116.67 120.37 2e6p s ASP 61 Ca 0.04 -1.25 0.00 0.00 0.43 0.00 0.00 52.55 51.78 2e6p s ASP 61 Cb -0.14 -0.80 0.00 0.00 -0.30 0.00 0.00 42.92 41.68 2e6p s ASP 61 CO -0.08 -0.35 0.00 0.61 -0.17 0.00 0.00 175.17 175.18 2e6p n GLY 62 N 4.90 0.73 1.96 2.66 0.00 -1.26 0.13 105.19 114.32 2e6p n GLY 62 Ca -0.06 0.79 -0.24 0.00 0.00 0.00 0.00 46.02 46.51 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 0.00 3.09 -3.63 1.61 1.85 -1.26 -1.39 116.66 116.93 2e6p n ARG 63 Ca 0.00 -3.79 -0.27 0.00 -1.00 0.00 0.00 57.85 52.79 2e6p n ARG 63 Cb 0.00 -2.21 -0.17 0.00 -1.05 0.00 0.00 32.46 29.03 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 -3.61 0.20 -0.07 2.89 1.02 0.35 -0.49 119.74 120.03 2e6p s LYS 64 Ca 0.54 -0.19 0.02 0.00 0.02 0.00 0.00 55.97 56.36 2e6p s LYS 64 Cb 0.44 -1.86 -0.02 0.00 -0.52 0.00 0.00 37.83 35.86 2e6p s LYS 64 CO 0.02 -0.68 -0.13 -1.01 -0.92 0.00 0.00 175.35 172.63 2e6p s HIS 65 N 2.07 2.77 -0.04 3.18 3.76 -0.59 -1.53 115.29 124.90 2e6p s HIS 65 Ca 0.02 -0.21 -0.16 0.00 -0.15 0.00 0.00 55.06 54.55 2e6p s HIS 65 Cb -0.16 -1.69 0.03 0.00 1.11 0.00 0.00 32.58 31.87 2e6p s HIS 65 CO -0.10 0.14 0.36 -0.98 -0.85 0.00 0.00 174.74 173.31 2e6p s ARG 66 N -0.53 0.67 -0.21 1.40 1.70 -1.23 -0.33 118.95 120.41 2e6p s ARG 66 Ca 0.07 0.00 -0.04 0.00 -0.47 0.00 0.00 55.73 55.30 2e6p s ARG 66 Cb -0.12 0.30 -0.01 0.00 -0.57 0.00 0.00 34.95 34.55 2e6p s ARG 66 CO 0.02 -0.17 -0.04 -1.17 -1.08 0.00 0.00 175.30 172.85 2e6p s LEU 67 N -1.00 2.97 0.03 -1.89 0.20 -1.26 -1.92 118.68 115.81 2e6p s LEU 67 Ca -0.11 -0.34 0.00 0.00 0.69 0.00 0.00 54.13 54.38 2e6p s LEU 67 Cb -0.04 -1.75 -0.04 0.00 -0.43 0.00 0.00 46.19 43.93 2e6p s LEU 67 CO 0.04 0.02 0.12 -0.63 -0.29 0.00 0.00 176.35 175.60 2e6p s ILE 68 N 1.26 4.87 -0.08 6.68 1.01 0.14 -1.70 121.20 133.38 2e6p s ILE 68 Ca 0.03 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.18 2e6p s ILE 68 Cb -0.14 -3.30 0.03 0.00 0.01 0.00 0.00 42.46 39.05 2e6p s ILE 68 CO -0.01 0.24 -0.01 -0.76 0.00 0.00 0.00 174.94 174.40 2e6p s LEU 69 N -2.11 0.67 0.20 2.97 1.43 0.54 -1.11 118.68 121.26 2e6p s LEU 69 Ca 0.28 -0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 53.21 2e6p s LEU 69 Cb -0.12 -0.49 0.14 0.00 0.03 0.00 0.00 46.19 45.75 2e6p s LEU 69 CO 0.20 -0.19 1.55 1.55 0.23 0.00 0.00 176.35 179.69 2e6p h PRO 70 N 8.31 0.65 -3.82 1.29 0.13 -1.83 -2.58 132.00 134.14 2e6p h PRO 70 Ca -0.21 -0.34 -0.50 0.00 -0.87 0.00 0.00 66.00 64.08 2e6p h PRO 70 Cb 1.13 0.01 -0.38 0.00 0.13 0.00 0.00 31.00 31.88 2e6p h PRO 70 CO 0.28 0.95 -0.78 -2.00 -0.23 0.00 0.00 178.00 176.22 2e6p s GLU 71 N -4.25 0.93 -0.71 0.86 2.12 -1.25 -4.45 118.70 111.95 2e6p s GLU 71 Ca -0.08 -0.26 -0.23 0.00 0.36 0.00 0.00 54.97 54.75 2e6p s GLU 71 Cb 0.12 -1.67 0.07 0.00 0.26 0.00 0.00 34.13 32.90 2e6p s GLU 71 CO 0.84 -0.44 1.06 0.00 -0.54 0.00 0.00 175.26 176.18 2e6p s ALA 72 N 1.82 3.04 0.19 6.30 0.00 0.30 -4.86 121.76 128.55 2e6p s ALA 72 Ca 0.02 -1.83 -0.09 0.00 0.00 0.00 0.00 51.96 50.06 2e6p s ALA 72 Cb -0.15 -3.99 -0.07 0.00 0.00 0.00 0.00 23.12 18.92 2e6p s ALA 72 CO -0.07 -2.93 0.51 0.15 0.00 0.00 0.00 175.76 173.42 2e6p s LYS 73 N 4.35 3.79 0.48 0.00 1.02 -1.26 -1.19 119.74 126.93 2e6p s LYS 73 Ca 0.27 0.23 0.29 0.00 0.02 0.00 0.00 55.97 56.78 2e6p s LYS 73 Cb -0.13 -2.74 1.36 0.00 -0.52 0.00 0.00 37.83 35.80 2e6p s LYS 73 CO 0.09 0.38 1.79 0.28 -0.92 0.00 0.00 175.35 176.97 2e6p h VAL 74 N 2.16 0.45 -0.60 3.17 2.07 -1.96 0.42 116.25 121.97 2e6p h VAL 74 Ca -0.47 -0.06 -0.09 0.00 0.82 0.00 0.00 66.70 66.90 2e6p h VAL 74 Cb 1.17 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 2e6p h VAL 74 CO 0.69 0.03 0.02 1.56 0.02 0.00 0.00 177.57 179.89 2e6p h GLN 75 N 0.16 1.02 0.00 1.57 4.20 -1.93 -2.02 115.11 118.12 2e6p h GLN 75 Ca 0.58 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.99 2e6p h GLN 75 Cb 1.93 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.61 2e6p h GLN 75 CO -0.14 0.99 0.00 -0.25 -0.67 0.00 0.00 178.83 178.76 2e6p n ASP 76 N -4.19 0.00 -4.55 1.46 8.00 0.15 -4.55 116.55 112.87 2e6p n ASP 76 Ca 0.03 0.43 -0.36 0.00 0.71 0.00 0.00 54.79 55.60 2e6p n ASP 76 Cb 0.33 -0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 40.95 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 -2.88 4.97 0.06 -2.24 0.01 -0.76 -4.83 113.70 108.02 2e6p s SER 77 Ca 0.02 0.49 -0.18 0.00 1.31 0.00 0.00 55.95 57.59 2e6p s SER 77 Cb 0.02 -2.52 0.06 0.00 0.21 0.00 0.00 66.02 63.79 2e6p s SER 77 CO 0.05 -2.59 0.86 0.61 0.41 0.00 0.00 173.24 172.58 2e6p n GLY 78 N 5.88 0.54 3.76 3.44 0.00 0.96 -4.90 105.19 114.87 2e6p n GLY 78 Ca 0.27 -1.04 -0.39 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.02 4.44 -0.20 1.61 -6.30 -1.26 -1.73 118.70 113.24 2e6p s GLU 79 Ca 0.20 0.98 -0.05 0.00 -2.50 0.00 0.00 54.97 53.60 2e6p s GLU 79 Cb -0.01 -3.33 -0.02 0.00 0.00 0.00 0.00 34.13 30.77 2e6p s GLU 79 CO 0.02 0.39 -0.01 -0.06 0.02 0.00 0.00 175.26 175.61 2e6p s PHE 80 N -0.37 3.01 0.01 5.30 0.40 0.00 -3.03 117.98 123.30 2e6p s PHE 80 Ca 0.35 -0.54 0.03 0.00 -0.60 0.00 0.00 56.93 56.18 2e6p s PHE 80 Cb -0.20 -2.07 -0.03 0.00 0.51 0.00 0.00 43.02 41.22 2e6p s PHE 80 CO 0.22 -0.28 -0.06 -2.00 0.70 0.00 0.00 175.22 173.79 2e6p s GLU 81 N 1.02 2.55 -0.37 0.44 2.12 0.12 -0.14 118.70 124.44 2e6p s GLU 81 Ca 0.01 -0.72 0.02 0.00 0.36 0.00 0.00 54.97 54.64 2e6p s GLU 81 Cb -0.14 -2.51 0.11 0.00 0.26 0.00 0.00 34.13 31.85 2e6p s GLU 81 CO 0.01 0.60 0.14 0.00 -0.54 0.00 0.00 175.26 175.47 2e6p s ARG 83 N 0.90 4.21 0.00 0.00 3.52 -0.26 -2.30 118.95 125.01 2e6p s ARG 83 Ca 0.13 0.84 0.00 0.00 -0.13 0.00 0.00 55.73 56.57 2e6p s ARG 83 Cb -0.21 -2.80 0.00 0.00 -1.56 0.00 0.00 34.95 30.39 2e6p s ARG 83 CO -0.11 0.35 0.00 -2.37 -0.81 0.00 0.00 175.30 172.36 2e6p n THR 84 N 0.53 0.00 0.00 4.11 5.66 -1.14 -0.89 114.28 122.56 2e6p n THR 84 Ca -0.01 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 60.99 2e6p n THR 84 Cb 0.51 -0.28 -0.00 0.00 -1.55 0.00 0.00 70.33 69.02 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 -1.68 0.01 0.00 1.09 0.00 -1.26 -4.59 120.64 114.21 2e6p n GLU 85 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2e6p n GLU 85 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 31.44 31.29 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 3.15 0.00 3.79 8.31 0.00 -1.26 -5.09 105.19 114.09 2e6p n GLY 86 Ca -0.00 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 -1.42 1.55 0.01 1.61 -7.23 -1.26 -5.16 120.40 108.50 2e6p s VAL 87 Ca 0.00 -1.81 -0.25 0.00 -1.81 0.00 0.00 61.98 58.11 2e6p s VAL 87 Cb 0.00 -2.35 0.06 0.00 0.56 0.00 0.00 36.38 34.65 2e6p s VAL 87 CO 0.00 0.00 0.57 -0.44 -0.31 0.00 0.00 175.10 174.92 2e6p s SER 88 N -3.98 -0.52 -0.14 4.85 0.01 -1.26 -2.88 113.70 109.78 2e6p s SER 88 Ca 0.22 0.36 -0.07 0.00 1.31 0.00 0.00 55.95 57.77 2e6p s SER 88 Cb 0.02 0.51 -0.04 0.00 0.21 0.00 0.00 66.02 66.71 2e6p s SER 88 CO 0.12 -0.68 0.10 0.00 0.41 0.00 0.00 173.24 173.20 2e6p s ALA 89 N -1.99 3.68 -0.20 1.44 0.00 -0.97 -4.84 121.76 118.87 2e6p s ALA 89 Ca -0.08 -0.69 -0.05 0.00 0.00 0.00 0.00 51.96 51.14 2e6p s ALA 89 Cb -0.01 -1.92 -0.02 0.00 0.00 0.00 0.00 23.12 21.17 2e6p s ALA 89 CO 0.02 0.46 0.00 -0.06 0.00 0.00 0.00 175.76 176.19 2e6p s PHE 90 N -0.53 3.04 -0.22 0.00 0.40 -1.26 -1.20 117.98 118.21 2e6p s PHE 90 Ca 0.12 -0.47 0.02 0.00 -0.60 0.00 0.00 56.93 55.99 2e6p s PHE 90 Cb -0.12 -2.09 0.04 0.00 0.51 0.00 0.00 43.02 41.36 2e6p s PHE 90 CO 0.02 -0.26 -0.15 -0.06 0.70 0.00 0.00 175.22 175.47 2e6p s PHE 91 N 1.04 2.98 -0.21 0.36 0.40 0.79 -0.75 117.98 122.60 2e6p s PHE 91 Ca 0.02 -1.96 -0.29 0.00 -0.60 0.00 0.00 56.93 54.10 2e6p s PHE 91 Cb -0.14 -1.91 -0.01 0.00 0.51 0.00 0.00 43.02 41.47 2e6p s PHE 91 CO 0.02 -0.84 1.31 0.20 0.70 0.00 0.00 175.22 176.60 2e6p s GLY 92 N 1.21 1.53 -0.13 4.36 0.00 0.11 -0.82 107.32 113.58 2e6p s GLY 92 Ca -0.02 0.35 0.02 0.00 0.00 0.00 0.00 44.72 45.08 2e6p s GLY 92 CO -0.09 2.57 -0.19 0.14 0.00 0.00 0.00 173.10 175.52 2e6p s VAL 93 N 3.90 1.86 -0.15 1.40 1.01 -0.70 0.08 120.40 127.79 2e6p s VAL 93 Ca 0.57 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 2e6p s VAL 93 Cb -0.20 -1.67 0.05 0.00 0.00 0.00 0.00 36.38 34.56 2e6p s VAL 93 CO 0.19 0.51 0.04 -0.89 0.00 0.00 0.00 175.10 174.94 2e6p s THR 94 N 0.92 0.35 -0.32 3.92 2.01 -1.17 -0.03 115.64 121.32 2e6p s THR 94 Ca -0.06 -0.28 -0.15 0.00 0.31 0.00 0.00 61.69 61.51 2e6p s THR 94 Cb -0.15 -0.79 -0.02 0.00 0.01 0.00 0.00 72.50 71.55 2e6p s THR 94 CO -0.03 -0.09 0.37 -0.69 -0.69 0.00 0.00 174.62 173.49 2e6p s VAL 95 N 1.95 5.16 -0.17 3.82 1.01 -1.26 -0.42 120.40 130.49 2e6p s VAL 95 Ca 0.01 0.21 -0.04 0.00 0.00 0.00 0.00 61.98 62.17 2e6p s VAL 95 Cb -0.15 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 2e6p s VAL 95 CO -0.07 -0.02 -0.03 -1.10 0.00 0.00 0.00 175.10 173.88 2e6p s GLN 96 N 2.05 3.61 0.21 2.72 -0.21 0.37 -4.68 119.66 123.73 2e6p s GLN 96 Ca 0.13 -0.54 -0.30 0.00 0.02 0.00 0.00 55.36 54.67 2e6p s GLN 96 Cb -0.16 -2.96 -0.09 0.00 1.00 0.00 0.00 33.01 30.80 2e6p s GLN 96 CO 0.11 0.13 1.33 0.16 -2.12 0.00 0.00 175.29 174.90 2e6p s ASP 97 N 0.66 6.85 0.77 5.90 -4.77 -1.26 -2.75 116.67 122.08 2e6p s ASP 97 Ca -0.02 2.45 -0.11 0.00 -3.30 0.00 0.00 52.55 51.57 2e6p s ASP 97 Cb -0.14 -2.61 0.06 0.00 -1.09 0.00 0.00 42.92 39.13 2e6p s ASP 97 CO 0.02 -0.56 1.09 -2.16 0.70 0.00 0.00 175.17 174.27 2e6p s PRO 98 N -0.17 2.25 -0.71 2.11 0.04 -1.26 -4.95 135.00 132.32 2e6p s PRO 98 Ca 0.57 1.17 -0.22 0.00 0.04 0.00 0.00 61.00 62.57 2e6p s PRO 98 Cb -0.37 -1.90 0.08 0.00 0.04 0.00 0.00 34.50 32.35 2e6p s PRO 98 CO 0.39 -1.65 0.98 0.45 0.04 0.00 0.00 177.00 177.21 2e6p s SER 99 N -3.38 6.26 0.00 6.66 0.15 -1.26 -4.90 113.70 117.23 2e6p s SER 99 Ca 0.61 -1.23 0.00 0.00 0.70 0.00 0.00 55.95 56.03 2e6p s SER 99 Cb -0.17 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2e6p s SER 99 CO 0.56 -1.34 0.00 0.61 1.20 0.00 0.00 173.24 174.27 2e6p n GLY 100 N 5.38 -0.61 3.77 9.45 0.00 -1.26 -5.15 105.19 116.77 2e6p n GLY 100 Ca 0.01 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 2e6p n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2e6p s PRO 101 N -0.00 3.55 -0.06 1.61 0.04 -1.26 -5.05 135.00 133.83 2e6p s PRO 101 Ca 0.00 1.69 0.04 0.00 0.04 0.00 0.00 61.00 62.77 2e6p s PRO 101 Cb 0.00 -2.20 -0.00 0.00 0.04 0.00 0.00 34.50 32.34 2e6p s PRO 101 CO 0.00 -0.70 -0.18 -1.54 0.04 0.00 0.00 177.00 174.62 2e6p s SER 102 N -1.58 2.29 0.29 6.66 1.04 -1.26 -5.10 113.70 116.05 2e6p s SER 102 Ca 0.68 -0.38 -0.29 0.00 0.48 0.00 0.00 55.95 56.44 2e6p s SER 102 Cb -0.26 -0.78 -0.10 0.00 0.10 0.00 0.00 66.02 64.99 2e6p s SER 102 CO 0.30 0.14 1.20 -0.94 0.98 0.00 0.00 173.24 174.93 2e6p s SER 103 N 0.19 7.03 0.00 7.02 1.04 -1.26 -5.33 113.70 122.39 2e6p s SER 103 Ca -0.08 2.45 0.00 0.00 0.48 0.00 0.00 55.95 58.80 2e6p s SER 103 Cb -0.13 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.35 2e6p s SER 103 CO 0.04 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.52