#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 -3.06 -4.25 1.61 3.41 -1.26 -4.98 113.62 105.10 2e6p n SER 2 Ca 0.00 0.59 -0.29 0.00 -0.26 0.00 0.00 58.87 58.91 2e6p n SER 2 Cb 0.00 -0.96 -0.16 0.00 -0.26 0.00 0.00 64.21 62.83 2e6p n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2e6p s SER 3 N -1.12 2.75 -0.33 4.04 0.01 -1.26 -4.81 113.70 112.98 2e6p s SER 3 Ca 0.58 -0.44 -0.02 0.00 1.31 0.00 0.00 55.95 57.39 2e6p s SER 3 Cb -0.42 -0.50 -0.02 0.00 0.21 0.00 0.00 66.02 65.29 2e6p s SER 3 CO 0.65 0.26 0.29 0.61 0.41 0.00 0.00 173.24 175.45 2e6p n GLY 4 N 2.72 0.27 3.91 3.44 0.00 -1.26 -5.05 105.19 109.22 2e6p n GLY 4 Ca -0.16 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 2e6p n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e6p s SER 5 N -3.13 6.34 -0.82 1.61 0.15 -1.26 -5.00 113.70 111.59 2e6p s SER 5 Ca 0.14 0.78 -0.25 0.00 0.70 0.00 0.00 55.95 57.31 2e6p s SER 5 Cb -0.02 -2.18 0.02 0.00 -1.71 0.00 0.00 66.02 62.13 2e6p s SER 5 CO 0.23 -0.40 1.51 -0.44 1.20 0.00 0.00 173.24 175.34 2e6p s SER 6 N -3.78 5.98 0.60 5.45 0.01 -1.26 -4.83 113.70 115.86 2e6p s SER 6 Ca 0.45 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 57.09 2e6p s SER 6 Cb -0.10 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.57 2e6p s SER 6 CO 0.38 -1.95 0.00 0.61 0.41 0.00 0.00 173.24 172.69 2e6p n GLY 7 N 6.04 -3.16 0.09 3.44 0.00 -1.26 -4.67 105.19 105.66 2e6p n GLY 7 Ca 0.19 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.44 0.15 -2.89 1.61 0.13 -1.88 -3.45 132.00 124.23 2e6p h PRO 8 Ca -0.18 -0.08 -0.17 0.00 -0.87 0.00 0.00 66.00 64.70 2e6p h PRO 8 Cb 1.37 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.21 2e6p h PRO 8 CO 0.07 0.59 -0.42 0.54 -0.23 0.00 0.00 178.00 178.55 2e6p s VAL 9 N -4.28 -0.05 -0.05 1.56 0.11 -1.26 -4.88 120.40 111.54 2e6p s VAL 9 Ca -0.15 0.13 0.03 0.00 -2.93 0.00 0.00 61.98 59.07 2e6p s VAL 9 Cb 0.03 -0.46 0.00 0.00 -1.53 0.00 0.00 36.38 34.42 2e6p s VAL 9 CO 0.71 0.06 -0.15 -1.38 -3.33 0.00 0.00 175.10 171.01 2e6p s HIS 10 N 1.36 1.54 0.42 1.54 -3.43 -1.26 -4.16 115.29 111.30 2e6p s HIS 10 Ca -0.09 -0.48 -0.25 0.00 -0.80 0.00 0.00 55.06 53.45 2e6p s HIS 10 Cb -0.10 -1.07 -0.08 0.00 -1.43 0.00 0.00 32.58 29.90 2e6p s HIS 10 CO -0.10 -0.19 1.19 0.42 -2.00 0.00 0.00 174.74 174.06 2e6p s ILE 11 N 0.24 3.04 -0.15 -5.38 1.01 -1.26 -3.00 121.20 115.70 2e6p s ILE 11 Ca -0.07 0.86 0.03 0.00 0.00 0.00 0.00 60.65 61.47 2e6p s ILE 11 Cb -0.12 -3.47 -0.11 0.00 0.01 0.00 0.00 42.46 38.76 2e6p s ILE 11 CO 0.03 0.06 -0.10 0.18 0.00 0.00 0.00 174.94 175.11 2e6p n LEU 12 N -0.07 2.35 -3.73 2.97 4.77 -1.05 -4.97 117.00 117.27 2e6p n LEU 12 Ca 0.05 -0.07 -0.12 0.00 -0.03 0.00 0.00 56.01 55.84 2e6p n LEU 12 Cb 0.46 -0.37 -0.11 0.00 -2.33 0.00 0.00 43.42 41.08 2e6p n LEU 12 CO 0.51 0.67 0.02 -0.55 -1.33 0.00 0.00 177.39 176.71 2e6p s SER 13 N -5.31 -0.41 1.21 -1.43 0.15 -1.24 -4.26 113.70 102.40 2e6p s SER 13 Ca -0.18 0.76 -0.17 0.00 0.70 0.00 0.00 55.95 57.06 2e6p s SER 13 Cb 0.05 0.72 0.26 0.00 -1.71 0.00 0.00 66.02 65.34 2e6p s SER 13 CO 0.39 -0.15 0.92 -0.81 1.20 0.00 0.00 173.24 174.79 2e6p n PRO 14 N 3.50 -2.83 -0.08 5.44 -0.04 -1.26 -0.46 135.00 139.27 2e6p n PRO 14 Ca -0.18 -1.47 -0.20 0.00 -0.04 0.00 0.00 63.50 61.61 2e6p n PRO 14 Cb 0.56 -1.38 -0.13 0.00 -0.04 0.00 0.00 33.50 32.51 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 -4.33 0.69 -4.16 0.54 6.02 -1.26 -4.99 117.38 109.88 2e6p n GLN 15 Ca 0.13 0.20 -0.14 0.00 -0.01 0.00 0.00 57.00 57.18 2e6p n GLN 15 Cb 0.50 -1.59 -0.08 0.00 1.02 0.00 0.00 30.24 30.09 2e6p n GLN 15 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2e6p s ASP 16 N -6.74 0.63 0.06 1.08 1.11 -1.26 -5.08 116.67 106.46 2e6p s ASP 16 Ca -0.30 -1.42 -0.37 0.00 0.18 0.00 0.00 52.55 50.64 2e6p s ASP 16 Cb 0.08 0.51 -0.19 0.00 1.07 0.00 0.00 42.92 44.40 2e6p s ASP 16 CO 0.66 -1.04 0.95 1.17 1.18 0.00 0.00 175.17 178.09 2e6p n LYS 17 N -0.43 0.07 -4.21 8.23 3.00 -1.26 -4.86 118.16 118.70 2e6p n LYS 17 Ca 0.02 0.03 -0.29 0.00 -0.00 0.00 0.00 58.31 58.07 2e6p n LYS 17 Cb 0.64 -1.41 -0.03 0.00 0.00 0.00 0.00 35.03 34.23 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 -0.24 1.47 -0.14 3.15 -7.23 -1.19 -5.05 120.40 111.17 2e6p s VAL 18 Ca 0.84 -1.68 -0.06 0.00 -1.81 0.00 0.00 61.98 59.27 2e6p s VAL 18 Cb -1.16 -2.15 0.06 0.00 0.56 0.00 0.00 36.38 33.69 2e6p s VAL 18 CO 0.56 0.00 0.29 -0.44 -0.31 0.00 0.00 175.10 175.21 2e6p s SER 19 N -4.13 0.07 0.15 4.85 0.01 -1.26 -3.23 113.70 110.16 2e6p s SER 19 Ca 0.23 0.66 0.03 0.00 1.31 0.00 0.00 55.95 58.18 2e6p s SER 19 Cb -0.01 0.74 -0.05 0.00 0.21 0.00 0.00 66.02 66.92 2e6p s SER 19 CO 0.14 -0.22 -0.05 -0.76 0.41 0.00 0.00 173.24 172.77 2e6p s LEU 20 N 2.13 2.36 0.02 2.44 1.43 0.11 -4.95 118.68 122.22 2e6p s LEU 20 Ca -0.02 -1.08 -0.00 0.00 -1.03 0.00 0.00 54.13 51.99 2e6p s LEU 20 Cb -0.11 -0.17 -0.02 0.00 0.03 0.00 0.00 46.19 45.91 2e6p s LEU 20 CO -0.09 -0.46 -0.03 -0.89 0.23 0.00 0.00 176.35 175.10 2e6p s THR 21 N -3.52 0.12 0.32 5.49 2.01 -1.26 -2.38 115.64 116.41 2e6p s THR 21 Ca 0.19 -0.99 -0.09 0.00 0.31 0.00 0.00 61.69 61.11 2e6p s THR 21 Cb 0.05 -0.37 0.01 0.00 0.01 0.00 0.00 72.50 72.20 2e6p s THR 21 CO 0.01 -0.54 0.54 -0.36 -0.69 0.00 0.00 174.62 173.58 2e6p s PHE 22 N -1.67 0.60 0.19 4.92 0.40 0.81 -4.88 117.98 118.34 2e6p s PHE 22 Ca -0.14 -0.97 0.08 0.00 -0.60 0.00 0.00 56.93 55.29 2e6p s PHE 22 Cb -0.08 0.21 -0.04 0.00 0.51 0.00 0.00 43.02 43.61 2e6p s PHE 22 CO -0.02 -1.17 0.00 0.99 0.70 0.00 0.00 175.22 175.72 2e6p s THR 23 N -3.28 3.69 0.39 0.64 2.01 -1.26 -0.91 115.64 116.92 2e6p s THR 23 Ca 0.24 -1.49 -0.27 0.00 0.31 0.00 0.00 61.69 60.48 2e6p s THR 23 Cb -0.02 -2.87 -0.10 0.00 0.01 0.00 0.00 72.50 69.52 2e6p s THR 23 CO 0.14 -0.15 1.45 -0.89 -0.69 0.00 0.00 174.62 174.48 2e6p s THR 24 N -1.81 2.14 -0.85 -0.82 2.01 -1.04 -3.08 115.64 112.18 2e6p s THR 24 Ca 0.28 0.13 -0.01 0.00 0.31 0.00 0.00 61.69 62.40 2e6p s THR 24 Cb -0.09 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.34 2e6p s THR 24 CO 0.19 0.03 0.72 -1.20 -0.69 0.00 0.00 174.62 173.66 2e6p n SER 25 N 0.30 -2.71 -4.13 3.53 7.64 -0.83 -4.87 113.62 112.54 2e6p n SER 25 Ca 0.02 -0.41 -0.23 0.00 1.01 0.00 0.00 58.87 59.25 2e6p n SER 25 Cb 0.40 -3.67 -0.09 0.00 -1.01 0.00 0.00 64.21 59.84 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 -5.16 1.80 -0.34 1.43 2.02 -1.18 -4.84 118.70 112.44 2e6p s GLU 26 Ca 0.09 -2.07 -0.10 0.00 0.02 0.00 0.00 54.97 52.91 2e6p s GLU 26 Cb -0.04 -0.52 0.01 0.00 0.10 0.00 0.00 34.13 33.68 2e6p s GLU 26 CO 0.50 -0.43 0.18 0.50 0.02 0.00 0.00 175.26 176.04 2e6p s ARG 27 N -3.76 3.08 -0.13 1.61 3.52 -1.26 -1.63 118.95 120.38 2e6p s ARG 27 Ca 0.29 -0.90 -0.02 0.00 -0.13 0.00 0.00 55.73 54.97 2e6p s ARG 27 Cb 0.04 -3.66 -0.03 0.00 -1.56 0.00 0.00 34.95 29.75 2e6p s ARG 27 CO 0.16 -0.56 -0.05 0.08 -0.81 0.00 0.00 175.30 174.12 2e6p s VAL 28 N 1.59 3.82 -0.12 7.11 1.01 -0.92 -4.95 120.40 127.94 2e6p s VAL 28 Ca 0.03 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 2e6p s VAL 28 Cb -0.18 -2.64 0.05 0.00 0.00 0.00 0.00 36.38 33.60 2e6p s VAL 28 CO 0.07 0.53 0.06 -0.69 0.00 0.00 0.00 175.10 175.06 2e6p s VAL 29 N 0.00 0.08 0.49 2.92 1.01 -1.26 0.30 120.40 123.95 2e6p s VAL 29 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 61.98 61.89 2e6p s VAL 29 Cb -0.13 -0.52 0.11 0.00 0.00 0.00 0.00 36.38 35.83 2e6p s VAL 29 CO 0.03 -0.05 0.67 0.18 0.00 0.00 0.00 175.10 175.93 2e6p n LEU 30 N 5.22 0.00 -3.63 3.92 4.77 -0.18 -4.91 117.00 122.19 2e6p n LEU 30 Ca -0.06 -0.79 -0.15 0.00 -0.03 0.00 0.00 56.01 54.98 2e6p n LEU 30 Cb 0.49 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 41.00 2e6p n LEU 30 CO 0.09 -0.96 0.33 -0.89 -1.33 0.00 0.00 177.39 174.64 2e6p s THR 31 N -2.39 0.00 -0.28 -5.08 2.01 -1.26 -4.10 115.64 104.54 2e6p s THR 31 Ca 0.38 -0.03 -0.20 0.00 0.31 0.00 0.00 61.69 62.16 2e6p s THR 31 Cb -0.01 -0.89 0.10 0.00 0.01 0.00 0.00 72.50 71.70 2e6p s THR 31 CO 0.27 -0.02 0.82 0.00 -0.69 0.00 0.00 174.62 175.00 2e6p s GLU 33 N 1.05 2.87 0.44 0.00 2.56 0.40 -0.37 118.70 125.64 2e6p s GLU 33 Ca -0.05 -0.52 0.06 0.00 0.00 0.00 0.00 54.97 54.46 2e6p s GLU 33 Cb -0.05 -2.72 -0.05 0.00 2.00 0.00 0.00 34.13 33.31 2e6p s GLU 33 CO -0.12 0.66 0.12 -0.51 -0.56 0.00 0.00 175.26 174.85 2e6p s LEU 34 N -1.24 2.88 -0.28 2.70 1.43 -0.63 -2.54 118.68 121.00 2e6p s LEU 34 Ca 0.17 -1.27 0.11 0.00 -1.03 0.00 0.00 54.13 52.10 2e6p s LEU 34 Cb -0.11 -1.14 0.58 0.00 0.03 0.00 0.00 46.19 45.54 2e6p s LEU 34 CO 0.07 -0.61 1.57 -0.24 0.23 0.00 0.00 176.35 177.36 2e6p n SER 35 N -1.20 3.46 -3.59 2.29 2.88 -1.16 -4.80 113.62 111.50 2e6p n SER 35 Ca -0.05 -3.43 -0.10 0.00 -1.33 0.00 0.00 58.87 53.96 2e6p n SER 35 Cb 0.66 -0.65 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 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 -3.09 0.28 0.20 -1.46 0.52 -1.26 -4.76 118.95 109.38 2e6p s ARG 36 Ca 0.47 0.85 -0.30 0.00 -0.52 0.00 0.00 55.73 56.23 2e6p s ARG 36 Cb 0.40 0.04 -0.08 0.00 0.52 0.00 0.00 34.95 35.83 2e6p s ARG 36 CO 0.06 -0.35 1.10 0.08 0.02 0.00 0.00 175.30 176.22 2e6p s VAL 37 N 2.55 3.78 -1.18 3.52 1.01 -1.26 -3.46 120.40 125.36 2e6p s VAL 37 Ca 0.02 1.58 -0.06 0.00 0.00 0.00 0.00 61.98 63.53 2e6p s VAL 37 Cb -0.13 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.25 2e6p s VAL 37 CO -0.12 0.29 1.02 0.47 0.00 0.00 0.00 175.10 176.76 2e6p n ASP 38 N 2.15 -4.89 -4.77 3.32 9.92 -0.83 -4.94 116.55 116.51 2e6p n ASP 38 Ca 0.02 -0.50 -0.36 0.00 -0.53 0.00 0.00 54.79 53.42 2e6p n ASP 38 Cb 0.46 -4.58 -0.08 0.00 -0.64 0.00 0.00 41.12 36.28 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 -3.30 3.37 0.54 1.24 5.36 -1.22 -5.08 117.98 118.89 2e6p s PHE 39 Ca 0.39 0.34 -0.19 0.00 -0.96 0.00 0.00 56.93 56.50 2e6p s PHE 39 Cb -0.17 -1.89 -0.06 0.00 -0.34 0.00 0.00 43.02 40.57 2e6p s PHE 39 CO 0.65 0.57 1.13 -1.25 -1.46 0.00 0.00 175.22 174.86 2e6p s PRO 40 N -0.84 3.36 0.14 10.12 0.04 -1.26 -5.06 135.00 141.51 2e6p s PRO 40 Ca 0.13 1.61 -0.20 0.00 0.04 0.00 0.00 61.00 62.58 2e6p s PRO 40 Cb -0.12 -2.01 0.06 0.00 0.04 0.00 0.00 34.50 32.47 2e6p s PRO 40 CO 0.03 -0.84 0.52 0.00 0.04 0.00 0.00 177.00 176.75 2e6p s ALA 41 N -1.77 -1.32 -0.05 8.56 0.00 -1.26 -4.46 121.76 121.45 2e6p s ALA 41 Ca 0.73 0.28 -0.02 0.00 0.00 0.00 0.00 51.96 52.95 2e6p s ALA 41 Cb -0.24 0.79 0.03 0.00 0.00 0.00 0.00 23.12 23.70 2e6p s ALA 41 CO 0.27 -0.71 0.04 0.99 0.00 0.00 0.00 175.76 176.35 2e6p s THR 42 N -3.71 0.03 0.18 0.00 2.01 0.80 -4.99 115.64 109.97 2e6p s THR 42 Ca 0.01 0.33 -0.29 0.00 0.31 0.00 0.00 61.69 62.06 2e6p s THR 42 Cb 0.00 -0.25 -0.08 0.00 0.01 0.00 0.00 72.50 72.18 2e6p s THR 42 CO -0.12 0.20 0.90 0.26 -0.69 0.00 0.00 174.62 175.16 2e6p s TRP 43 N 2.03 3.92 -0.03 4.92 0.52 -1.26 -0.52 118.94 128.52 2e6p s TRP 43 Ca 0.04 1.80 0.03 0.00 0.02 0.00 0.00 56.10 57.99 2e6p s TRP 43 Cb -0.12 -2.94 -0.00 0.00 -1.15 0.00 0.00 33.47 29.26 2e6p s TRP 43 CO -0.04 0.41 -0.13 0.71 0.02 0.00 0.00 176.95 177.92 2e6p s TYR 44 N -0.85 1.30 -0.09 -1.98 2.02 0.37 -2.72 117.35 115.41 2e6p s TYR 44 Ca 0.41 -0.35 0.04 0.00 -0.37 0.00 0.00 57.07 56.80 2e6p s TYR 44 Cb -0.24 -0.90 -0.01 0.00 -0.40 0.00 0.00 41.96 40.41 2e6p s TYR 44 CO 0.30 -0.12 -0.21 0.21 -1.57 0.00 0.00 175.55 174.16 2e6p s LYS 45 N 0.10 2.90 -1.59 -0.62 2.20 0.04 -0.81 119.74 121.96 2e6p s LYS 45 Ca -0.03 -0.82 -0.17 0.00 -0.36 0.00 0.00 55.97 54.59 2e6p s LYS 45 Cb -0.10 -2.34 0.15 0.00 -1.51 0.00 0.00 37.83 34.03 2e6p s LYS 45 CO 0.01 0.31 0.69 -3.47 -0.36 0.00 0.00 175.35 172.53 2e6p n ASP 46 N 3.19 -3.17 -2.35 1.43 2.03 -0.82 0.36 116.55 117.22 2e6p n ASP 46 Ca -0.18 -0.87 -0.16 0.00 0.52 0.00 0.00 54.79 54.10 2e6p n ASP 46 Cb 0.52 -2.62 0.04 0.00 -0.72 0.00 0.00 41.12 38.34 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 -1.28 -0.10 3.12 0.27 0.00 -1.26 -5.02 105.19 100.92 2e6p n GLY 47 Ca 0.07 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 -5.59 0.26 0.40 1.61 -0.21 0.16 -5.14 119.66 111.15 2e6p s GLN 48 Ca 0.30 0.64 -0.24 0.00 0.02 0.00 0.00 55.36 56.08 2e6p s GLN 48 Cb -0.13 -0.07 -0.12 0.00 1.00 0.00 0.00 33.01 33.69 2e6p s GLN 48 CO 0.37 -0.17 0.73 1.17 -2.12 0.00 0.00 175.29 175.26 2e6p n LYS 49 N 4.37 0.84 -3.60 2.91 4.81 -1.26 -0.78 118.16 125.45 2e6p n LYS 49 Ca -0.23 0.30 -0.33 0.00 -0.87 0.00 0.00 58.31 57.19 2e6p n LYS 49 Cb 0.53 -1.68 -0.05 0.00 0.02 0.00 0.00 35.03 33.85 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 -1.35 5.11 -0.32 3.15 -7.23 -1.10 -4.75 120.40 113.91 2e6p s VAL 50 Ca 0.63 0.28 -0.11 0.00 -1.81 0.00 0.00 61.98 60.97 2e6p s VAL 50 Cb -0.61 -3.63 -0.01 0.00 0.56 0.00 0.00 36.38 32.68 2e6p s VAL 50 CO 0.58 0.15 0.19 -1.61 -0.31 0.00 0.00 175.10 174.10 2e6p s GLU 51 N -2.31 3.42 -0.16 4.82 2.02 -1.26 -4.98 118.70 120.24 2e6p s GLU 51 Ca 0.38 -0.68 -0.29 0.00 0.02 0.00 0.00 54.97 54.40 2e6p s GLU 51 Cb -0.13 -3.67 -0.04 0.00 0.10 0.00 0.00 34.13 30.39 2e6p s GLU 51 CO 0.21 -0.42 1.80 -1.21 0.02 0.00 0.00 175.26 175.65 2e6p s GLU 52 N 1.66 3.75 0.38 1.61 2.02 -1.26 -4.64 118.70 122.23 2e6p s GLU 52 Ca 0.05 1.93 -0.12 0.00 0.02 0.00 0.00 54.97 56.86 2e6p s GLU 52 Cb -0.17 -4.12 0.04 0.00 0.10 0.00 0.00 34.13 29.98 2e6p s GLU 52 CO 0.08 -1.36 0.71 0.45 0.02 0.00 0.00 175.26 175.16 2e6p s SER 53 N 4.99 0.29 0.50 -0.19 0.15 -1.00 -4.97 113.70 113.47 2e6p s SER 53 Ca 0.80 -1.28 0.21 0.00 0.70 0.00 0.00 55.95 56.39 2e6p s SER 53 Cb -0.30 0.81 1.29 0.00 -1.71 0.00 0.00 66.02 66.11 2e6p s SER 53 CO 0.33 -1.61 2.00 1.05 1.20 0.00 0.00 173.24 176.21 2e6p h GLU 54 N 2.02 0.11 0.00 5.44 4.11 -2.03 0.37 114.58 124.60 2e6p h GLU 54 Ca -0.32 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.11 2e6p h GLU 54 Cb 1.25 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2e6p h GLU 54 CO 0.41 0.07 -0.03 -0.07 0.07 0.00 0.00 179.01 179.46 2e6p h LEU 55 N 0.11 0.00 -7.34 3.06 3.38 -1.95 -3.42 115.31 109.15 2e6p h LEU 55 Ca 0.24 -0.01 -0.56 0.00 0.09 0.00 0.00 57.88 57.65 2e6p h LEU 55 Cb 0.82 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.17 2e6p h LEU 55 CO -0.03 0.00 -0.77 -0.22 0.09 0.00 0.00 178.44 177.52 2e6p s LEU 56 N -5.08 1.84 -0.15 1.67 0.20 0.13 -4.33 118.68 112.96 2e6p s LEU 56 Ca 0.09 -1.14 -0.06 0.00 0.69 0.00 0.00 54.13 53.72 2e6p s LEU 56 Cb 0.10 -0.82 -0.04 0.00 -0.43 0.00 0.00 46.19 45.00 2e6p s LEU 56 CO 0.63 -0.32 0.04 -0.69 -0.29 0.00 0.00 176.35 175.72 2e6p s VAL 57 N 1.67 4.58 -0.15 1.68 1.01 -0.96 -2.37 120.40 125.86 2e6p s VAL 57 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.87 2e6p s VAL 57 Cb -0.18 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.20 2e6p s VAL 57 CO -0.12 0.51 -0.14 -0.69 0.00 0.00 0.00 175.10 174.65 2e6p s VAL 58 N 0.01 1.58 -0.14 2.92 1.01 -1.26 -0.82 120.40 123.69 2e6p s VAL 58 Ca 0.05 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.33 2e6p s VAL 58 Cb -0.12 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 2e6p s VAL 58 CO 0.01 0.46 0.04 -0.54 0.00 0.00 0.00 175.10 175.08 2e6p s LYS 59 N 1.44 3.57 -0.15 2.72 -0.14 -1.16 -5.04 119.74 120.98 2e6p s LYS 59 Ca 0.04 -0.35 0.00 0.00 -1.36 0.00 0.00 55.97 54.30 2e6p s LYS 59 Cb -0.13 -3.05 0.03 0.00 -1.68 0.00 0.00 37.83 33.00 2e6p s LYS 59 CO -0.10 0.47 -0.13 1.41 -0.76 0.00 0.00 175.35 176.25 2e6p s MET 60 N -0.21 2.15 -0.28 1.68 1.75 -1.26 -3.17 119.30 119.95 2e6p s MET 60 Ca 0.07 -0.57 -0.02 0.00 -1.25 0.00 0.00 55.69 53.92 2e6p s MET 60 Cb -0.12 -2.10 0.09 0.00 2.84 0.00 0.00 34.83 35.54 2e6p s MET 60 CO 0.02 -0.28 0.09 0.34 -0.65 0.00 0.00 175.02 174.54 2e6p s ASP 61 N 1.50 3.73 0.18 1.11 -1.08 -0.36 -5.01 116.67 116.75 2e6p s ASP 61 Ca 0.04 -1.41 0.00 0.00 -0.52 0.00 0.00 52.55 50.66 2e6p s ASP 61 Cb -0.13 -0.73 0.00 0.00 -1.46 0.00 0.00 42.92 40.60 2e6p s ASP 61 CO -0.10 -0.40 0.00 0.61 0.52 0.00 0.00 175.17 175.80 2e6p n GLY 62 N 4.95 0.54 1.97 2.66 0.00 -1.26 0.13 105.19 114.18 2e6p n GLY 62 Ca -0.04 0.69 -0.24 0.00 0.00 0.00 0.00 46.02 46.42 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 0.00 2.97 -3.74 1.61 1.74 -1.26 -1.96 116.66 116.02 2e6p n ARG 63 Ca 0.00 -3.70 -0.26 0.00 -0.77 0.00 0.00 57.85 53.12 2e6p n ARG 63 Cb 0.00 -2.20 -0.17 0.00 -1.02 0.00 0.00 32.46 29.07 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 -3.61 0.61 -0.12 5.56 1.02 0.34 -1.60 119.74 121.94 2e6p s LYS 64 Ca 0.54 -0.23 0.02 0.00 0.02 0.00 0.00 55.97 56.33 2e6p s LYS 64 Cb 0.44 -1.73 0.01 0.00 -0.52 0.00 0.00 37.83 36.03 2e6p s LYS 64 CO 0.02 -0.53 -0.19 -1.01 -0.92 0.00 0.00 175.35 172.72 2e6p s HIS 65 N 1.91 2.26 0.08 3.18 3.76 0.50 -1.22 115.29 125.76 2e6p s HIS 65 Ca 0.01 -1.07 -0.04 0.00 -0.15 0.00 0.00 55.06 53.82 2e6p s HIS 65 Cb -0.15 -1.58 -0.03 0.00 1.11 0.00 0.00 32.58 31.93 2e6p s HIS 65 CO -0.07 -0.51 0.07 -0.98 -0.85 0.00 0.00 174.74 172.40 2e6p s ARG 66 N 0.83 0.77 -0.18 1.40 1.70 -1.19 -1.01 118.95 121.27 2e6p s ARG 66 Ca -0.09 -1.19 0.01 0.00 -0.47 0.00 0.00 55.73 53.99 2e6p s ARG 66 Cb -0.16 0.26 0.03 0.00 -0.57 0.00 0.00 34.95 34.51 2e6p s ARG 66 CO -0.00 -0.20 -0.16 -1.17 -1.08 0.00 0.00 175.30 172.68 2e6p s LEU 67 N -2.93 2.16 0.12 -1.89 1.98 -1.26 -2.98 118.68 113.88 2e6p s LEU 67 Ca 0.10 -0.71 0.02 0.00 -2.89 0.00 0.00 54.13 50.66 2e6p s LEU 67 Cb 0.07 -1.38 -0.04 0.00 0.66 0.00 0.00 46.19 45.50 2e6p s LEU 67 CO -0.07 -0.05 0.24 -0.63 -1.89 0.00 0.00 176.35 173.94 2e6p s ILE 68 N 1.34 5.20 -0.09 6.68 1.01 -0.00 -1.01 121.20 134.32 2e6p s ILE 68 Ca 0.03 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 2e6p s ILE 68 Cb -0.14 -3.63 0.05 0.00 0.01 0.00 0.00 42.46 38.75 2e6p s ILE 68 CO -0.11 -0.02 0.13 -0.76 0.00 0.00 0.00 174.94 174.18 2e6p s LEU 69 N -2.98 0.01 0.19 2.97 1.43 0.15 -2.27 118.68 118.17 2e6p s LEU 69 Ca 0.34 0.16 -0.05 0.00 -1.03 0.00 0.00 54.13 53.55 2e6p s LEU 69 Cb -0.11 0.14 0.12 0.00 0.03 0.00 0.00 46.19 46.36 2e6p s LEU 69 CO 0.27 -0.26 1.55 1.55 0.23 0.00 0.00 176.35 179.69 2e6p h PRO 70 N 8.38 0.70 -3.35 1.29 0.13 -1.82 -2.46 132.00 134.88 2e6p h PRO 70 Ca -0.13 -0.36 -0.58 0.00 -0.87 0.00 0.00 66.00 64.06 2e6p h PRO 70 Cb 1.12 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.86 2e6p h PRO 70 CO 0.17 0.98 -0.76 -2.00 -0.23 0.00 0.00 178.00 176.15 2e6p s GLU 71 N -4.28 0.66 -0.93 0.86 2.12 -1.25 -4.40 118.70 111.48 2e6p s GLU 71 Ca -0.09 -1.07 -0.24 0.00 0.36 0.00 0.00 54.97 53.94 2e6p s GLU 71 Cb 0.12 -1.85 0.03 0.00 0.26 0.00 0.00 34.13 32.69 2e6p s GLU 71 CO 0.85 -1.02 1.50 0.00 -0.54 0.00 0.00 175.26 176.05 2e6p s ALA 72 N 1.58 2.56 0.42 6.30 0.00 -0.65 -4.86 121.76 127.10 2e6p s ALA 72 Ca 0.11 -1.92 -0.13 0.00 0.00 0.00 0.00 51.96 50.02 2e6p s ALA 72 Cb -0.18 -4.47 -0.07 0.00 0.00 0.00 0.00 23.12 18.40 2e6p s ALA 72 CO -0.24 -3.73 0.81 0.15 0.00 0.00 0.00 175.76 172.76 2e6p s LYS 73 N 5.48 3.86 0.39 0.00 1.02 -1.26 -1.96 119.74 127.27 2e6p s LYS 73 Ca 0.48 0.62 0.22 0.00 0.02 0.00 0.00 55.97 57.31 2e6p s LYS 73 Cb -0.03 -2.34 1.27 0.00 -0.52 0.00 0.00 37.83 36.22 2e6p s LYS 73 CO -0.03 -0.06 1.64 0.28 -0.92 0.00 0.00 175.35 176.27 2e6p h VAL 74 N 1.21 0.19 -0.86 3.17 2.07 -1.94 0.84 116.25 120.94 2e6p h VAL 74 Ca -0.47 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2e6p h VAL 74 Cb 1.18 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 2e6p h VAL 74 CO 0.63 0.03 0.54 1.56 0.02 0.00 0.00 177.57 180.35 2e6p h GLN 75 N 0.17 1.15 -1.06 1.57 7.50 -1.92 -2.13 115.11 120.41 2e6p h GLN 75 Ca 0.78 -0.09 0.28 0.00 0.50 0.00 0.00 58.65 60.12 2e6p h GLN 75 Cb 2.13 -0.25 -0.09 0.00 0.05 0.00 0.00 27.48 29.33 2e6p h GLN 75 CO -0.54 0.79 0.69 0.22 -1.50 0.00 0.00 178.83 178.50 2e6p h ASP 76 N 1.17 0.36 -0.74 1.46 3.58 0.37 -3.40 116.42 119.23 2e6p h ASP 76 Ca 0.31 0.07 -0.56 0.00 0.42 0.00 0.00 57.03 57.27 2e6p h ASP 76 Cb -0.08 0.01 -0.04 0.00 1.72 0.00 0.00 39.33 40.94 2e6p h ASP 76 CO -0.06 0.07 1.59 -1.54 -2.88 0.00 0.00 179.24 176.42 2e6p n SER 77 N -4.55 1.40 0.00 2.28 3.41 -0.80 -4.71 113.62 110.64 2e6p n SER 77 Ca 0.25 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 2e6p n SER 77 Cb 0.94 -1.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 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 6.47 2.21 3.13 5.00 0.00 -0.45 -4.91 105.19 116.65 2e6p n GLY 78 Ca 0.50 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 1.83 2.49 -0.02 1.61 2.12 -1.26 -0.20 118.70 125.26 2e6p s GLU 79 Ca 0.00 -0.68 0.01 0.00 0.36 0.00 0.00 54.97 54.65 2e6p s GLU 79 Cb 0.00 -1.95 -0.04 0.00 0.26 0.00 0.00 34.13 32.40 2e6p s GLU 79 CO 0.00 0.09 0.02 -0.06 -0.54 0.00 0.00 175.26 174.76 2e6p s PHE 80 N 0.56 3.13 -0.03 5.30 0.40 0.27 -1.95 117.98 125.66 2e6p s PHE 80 Ca -0.15 0.13 0.00 0.00 -0.60 0.00 0.00 56.93 56.31 2e6p s PHE 80 Cb -0.17 -1.70 0.03 0.00 0.51 0.00 0.00 43.02 41.69 2e6p s PHE 80 CO 0.05 0.48 0.00 -2.00 0.70 0.00 0.00 175.22 174.46 2e6p s GLU 81 N -1.47 0.25 -1.21 0.44 2.12 0.01 -0.34 118.70 118.50 2e6p s GLU 81 Ca 0.19 0.09 -0.11 0.00 0.36 0.00 0.00 54.97 55.50 2e6p s GLU 81 Cb -0.12 -0.44 0.20 0.00 0.26 0.00 0.00 34.13 34.03 2e6p s GLU 81 CO 0.10 -0.13 1.53 0.00 -0.54 0.00 0.00 175.26 176.21 2e6p n ARG 83 N 4.36 2.76 -4.10 0.00 0.00 0.33 -4.13 116.66 115.89 2e6p n ARG 83 Ca 0.35 1.00 -0.10 0.00 -0.00 0.00 0.00 57.85 59.10 2e6p n ARG 83 Cb 0.39 -2.87 -0.09 0.00 0.00 0.00 0.00 32.46 29.89 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 2.06 0.05 -1.08 5.15 -1.32 -1.04 -0.14 115.64 119.32 2e6p s THR 84 Ca 0.79 -1.74 -0.25 0.00 -1.21 0.00 0.00 61.69 59.29 2e6p s THR 84 Cb -0.50 -2.14 -0.16 0.00 -1.51 0.00 0.00 72.50 68.18 2e6p s THR 84 CO 0.35 -0.23 1.99 1.21 -2.21 0.00 0.00 174.62 175.74 2e6p n GLU 85 N -0.21 0.96 0.00 7.08 0.00 -1.26 -3.51 120.64 123.69 2e6p n GLU 85 Ca -0.03 -2.09 0.00 0.00 0.00 0.00 0.00 57.16 55.04 2e6p n GLU 85 Cb 0.64 -3.72 0.00 0.00 0.00 0.00 0.00 31.44 28.36 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 5.82 0.39 2.44 8.31 0.00 -1.26 -4.23 105.19 116.65 2e6p n GLY 86 Ca 0.44 0.04 -0.16 0.00 0.00 0.00 0.00 46.02 46.34 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 -3.72 1.61 0.24 -1.23 -5.06 118.33 110.17 2e6p n VAL 87 Ca 0.00 -1.81 -0.14 0.00 -2.04 0.00 0.00 64.34 60.35 2e6p n VAL 87 Cb 0.00 0.82 -0.08 0.00 -1.47 0.00 0.00 33.84 33.11 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 -2.79 -0.25 0.45 -1.34 0.01 -1.26 -2.51 113.70 106.01 2e6p s SER 88 Ca 0.25 0.14 0.08 0.00 1.31 0.00 0.00 55.95 57.72 2e6p s SER 88 Cb 0.01 0.35 0.01 0.00 0.21 0.00 0.00 66.02 66.61 2e6p s SER 88 CO 0.18 -0.50 0.52 0.00 0.41 0.00 0.00 173.24 173.85 2e6p s ALA 89 N -1.49 4.38 -0.04 1.44 0.00 -1.26 -4.92 121.76 119.87 2e6p s ALA 89 Ca -0.12 -1.79 0.01 0.00 0.00 0.00 0.00 51.96 50.06 2e6p s ALA 89 Cb -0.04 -1.31 0.02 0.00 0.00 0.00 0.00 23.12 21.80 2e6p s ALA 89 CO 0.04 -0.37 -0.04 -0.06 0.00 0.00 0.00 175.76 175.33 2e6p s PHE 90 N -2.48 0.68 -0.10 0.00 0.40 -1.26 -3.49 117.98 111.73 2e6p s PHE 90 Ca 0.52 -0.17 0.01 0.00 -0.60 0.00 0.00 56.93 56.68 2e6p s PHE 90 Cb -0.06 -0.62 0.02 0.00 0.51 0.00 0.00 43.02 42.86 2e6p s PHE 90 CO 0.31 -0.18 -0.10 -0.06 0.70 0.00 0.00 175.22 175.89 2e6p s PHE 91 N 0.95 1.57 -0.27 0.36 0.40 0.54 -3.16 117.98 118.38 2e6p s PHE 91 Ca -0.11 -0.74 -0.15 0.00 -0.60 0.00 0.00 56.93 55.34 2e6p s PHE 91 Cb -0.14 -1.23 -0.04 0.00 0.51 0.00 0.00 43.02 42.12 2e6p s PHE 91 CO -0.00 -0.45 0.36 0.20 0.70 0.00 0.00 175.22 176.02 2e6p s GLY 92 N 1.31 1.90 -0.07 4.36 0.00 -1.20 -0.57 107.32 113.06 2e6p s GLY 92 Ca -0.02 -0.82 0.05 0.00 0.00 0.00 0.00 44.72 43.93 2e6p s GLY 92 CO -0.04 0.94 -0.20 0.14 0.00 0.00 0.00 173.10 173.93 2e6p s VAL 93 N 1.99 2.47 -0.21 1.40 1.01 0.71 0.05 120.40 127.82 2e6p s VAL 93 Ca 0.15 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 2e6p s VAL 93 Cb -0.16 -1.94 0.06 0.00 0.00 0.00 0.00 36.38 34.34 2e6p s VAL 93 CO 0.10 0.57 -0.01 -0.89 0.00 0.00 0.00 175.10 174.87 2e6p s THR 94 N -0.24 0.99 -0.50 3.92 2.01 -1.00 -1.34 115.64 119.49 2e6p s THR 94 Ca -0.00 -0.87 -0.18 0.00 0.31 0.00 0.00 61.69 60.94 2e6p s THR 94 Cb -0.13 -1.39 0.06 0.00 0.01 0.00 0.00 72.50 71.05 2e6p s THR 94 CO 0.03 -0.16 0.56 -0.69 -0.69 0.00 0.00 174.62 173.67 2e6p s VAL 95 N 1.64 4.98 -0.22 3.82 1.01 -1.26 -0.14 120.40 130.24 2e6p s VAL 95 Ca -0.03 -0.67 -0.13 0.00 0.00 0.00 0.00 61.98 61.16 2e6p s VAL 95 Cb -0.18 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 31.90 2e6p s VAL 95 CO -0.07 -0.74 0.25 -1.10 0.00 0.00 0.00 175.10 173.43 2e6p s GLN 96 N 2.34 4.13 0.09 2.72 -0.21 -0.09 -4.63 119.66 124.01 2e6p s GLN 96 Ca 0.12 -0.08 -0.31 0.00 0.02 0.00 0.00 55.36 55.11 2e6p s GLN 96 Cb -0.21 -3.52 -0.07 0.00 1.00 0.00 0.00 33.01 30.21 2e6p s GLN 96 CO 0.10 0.06 1.27 0.16 -2.12 0.00 0.00 175.29 174.76 2e6p s ASP 97 N 0.96 6.98 -0.26 5.90 -4.77 -1.26 -2.50 116.67 121.72 2e6p s ASP 97 Ca 0.12 2.15 -0.29 0.00 -3.30 0.00 0.00 52.55 51.24 2e6p s ASP 97 Cb -0.14 -2.58 -0.02 0.00 -1.09 0.00 0.00 42.92 39.09 2e6p s ASP 97 CO 0.05 -0.53 1.64 -2.16 0.70 0.00 0.00 175.17 174.87 2e6p s PRO 98 N 0.96 3.66 -0.23 2.11 0.04 -1.26 -4.94 135.00 135.35 2e6p s PRO 98 Ca 0.60 1.54 -0.28 0.00 0.04 0.00 0.00 61.00 62.90 2e6p s PRO 98 Cb -0.33 -4.07 -0.04 0.00 0.04 0.00 0.00 34.50 30.10 2e6p s PRO 98 CO 0.30 -1.46 1.99 -1.12 0.04 0.00 0.00 177.00 176.76 2e6p s SER 99 N 4.67 5.79 0.00 6.66 0.01 -1.26 -4.85 113.70 124.72 2e6p s SER 99 Ca 0.73 1.75 0.00 0.00 1.31 0.00 0.00 55.95 59.73 2e6p s SER 99 Cb -0.23 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.48 2e6p s SER 99 CO 0.31 -1.72 0.00 0.61 0.41 0.00 0.00 173.24 172.85 2e6p n GLY 100 N 5.42 -1.24 3.60 3.44 0.00 -1.26 -5.11 105.19 110.04 2e6p n GLY 100 Ca 0.25 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.69 3.42 0.09 1.61 0.04 -1.26 -5.00 135.00 133.21 2e6p s PRO 101 Ca 0.00 1.33 0.03 0.00 0.04 0.00 0.00 61.00 62.40 2e6p s PRO 101 Cb 0.00 -4.15 -0.04 0.00 0.04 0.00 0.00 34.50 30.36 2e6p s PRO 101 CO 0.00 -1.75 0.10 0.45 0.04 0.00 0.00 177.00 175.84 2e6p s SER 102 N 5.44 5.60 0.05 6.66 0.15 -1.26 -5.04 113.70 125.30 2e6p s SER 102 Ca 0.75 -0.00 -0.02 0.00 0.70 0.00 0.00 55.95 57.38 2e6p s SER 102 Cb -0.20 -1.52 -0.01 0.00 -1.71 0.00 0.00 66.02 62.58 2e6p s SER 102 CO 0.33 0.16 -0.03 -0.24 1.20 0.00 0.00 173.24 174.65 2e6p n SER 103 N 0.31 0.96 0.00 5.45 2.88 -1.26 -5.31 113.62 116.65 2e6p n SER 103 Ca -0.08 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 2e6p n SER 103 Cb 0.52 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 2e6p n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42