#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 0.57 -4.56 1.61 7.64 -1.26 -4.97 113.62 112.66 2e6p n SER 2 Ca 0.00 0.29 -0.24 0.00 1.01 0.00 0.00 58.87 59.93 2e6p n SER 2 Cb 0.00 -0.02 -0.05 0.00 -1.01 0.00 0.00 64.21 63.13 2e6p n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2e6p s SER 3 N -5.58 4.65 -0.18 6.43 1.04 -1.26 -4.89 113.70 113.91 2e6p s SER 3 Ca 0.00 -0.18 -0.37 0.00 0.48 0.00 0.00 55.95 55.88 2e6p s SER 3 Cb 0.00 -2.55 -0.13 0.00 0.10 0.00 0.00 66.02 63.44 2e6p s SER 3 CO 0.00 -3.13 1.83 0.61 0.98 0.00 0.00 173.24 173.53 2e6p n GLY 4 N 6.66 1.18 3.62 7.32 0.00 -1.26 -4.92 105.19 117.79 2e6p n GLY 4 Ca 0.40 0.90 -0.06 0.00 0.00 0.00 0.00 46.02 47.26 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 3.94 -0.30 0.03 1.61 1.04 -1.26 -5.19 113.70 113.57 2e6p s SER 5 Ca 0.96 -0.20 -0.16 0.00 0.48 0.00 0.00 55.95 57.03 2e6p s SER 5 Cb -0.86 0.46 0.03 0.00 0.10 0.00 0.00 66.02 65.74 2e6p s SER 5 CO 0.58 -0.80 0.35 -0.44 0.98 0.00 0.00 173.24 173.91 2e6p s SER 6 N -2.72 -0.20 0.00 7.02 0.01 -1.26 -5.14 113.70 111.41 2e6p s SER 6 Ca 0.08 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.30 2e6p s SER 6 Cb -0.01 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.59 2e6p s SER 6 CO -0.04 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 173.63 2e6p n GLY 7 N 0.73 2.22 0.09 3.44 0.00 -1.26 -4.90 105.19 105.51 2e6p n GLY 7 Ca -0.19 -1.72 -0.13 0.00 0.00 0.00 0.00 46.02 43.98 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 0.15 -1.73 1.61 0.13 -2.01 -3.46 132.00 126.69 2e6p h PRO 8 Ca 0.00 -0.08 0.07 0.00 -0.87 0.00 0.00 66.00 65.12 2e6p h PRO 8 Cb 0.00 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 30.89 2e6p h PRO 8 CO 0.00 0.60 0.24 0.54 -0.23 0.00 0.00 178.00 179.15 2e6p s VAL 9 N -4.28 0.00 0.26 1.56 0.11 -1.25 -4.82 120.40 111.99 2e6p s VAL 9 Ca -0.15 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 58.96 2e6p s VAL 9 Cb 0.03 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.83 2e6p s VAL 9 CO 0.71 0.00 -0.07 -1.38 -3.33 0.00 0.00 175.10 171.03 2e6p s HIS 10 N 1.37 1.85 0.03 1.54 -3.43 -1.26 -4.16 115.29 111.24 2e6p s HIS 10 Ca -0.09 -0.70 -0.18 0.00 -0.80 0.00 0.00 55.06 53.29 2e6p s HIS 10 Cb -0.04 -1.02 -0.06 0.00 -1.43 0.00 0.00 32.58 30.03 2e6p s HIS 10 CO -0.16 0.26 0.52 0.42 -2.00 0.00 0.00 174.74 173.78 2e6p s ILE 11 N -3.05 4.86 -0.17 -5.38 1.01 -1.26 -0.56 121.20 116.65 2e6p s ILE 11 Ca 0.28 1.11 0.09 0.00 0.00 0.00 0.00 60.65 62.12 2e6p s ILE 11 Cb 0.03 -3.85 -0.17 0.00 0.01 0.00 0.00 42.46 38.48 2e6p s ILE 11 CO 0.10 0.53 -0.04 0.18 0.00 0.00 0.00 174.94 175.72 2e6p n LEU 12 N 1.99 1.17 -3.69 2.97 4.77 -1.01 -4.94 117.00 118.26 2e6p n LEU 12 Ca -0.11 -0.04 -0.10 0.00 -0.03 0.00 0.00 56.01 55.73 2e6p n LEU 12 Cb 0.51 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.46 2e6p n LEU 12 CO 0.41 0.56 0.12 -0.55 -1.33 0.00 0.00 177.39 176.59 2e6p s SER 13 N -5.30 -0.60 1.25 -1.43 0.15 -1.25 -4.22 113.70 102.31 2e6p s SER 13 Ca -0.15 1.02 -0.21 0.00 0.70 0.00 0.00 55.95 57.31 2e6p s SER 13 Cb 0.05 0.90 0.31 0.00 -1.71 0.00 0.00 66.02 65.57 2e6p s SER 13 CO 0.56 -0.20 1.11 -2.16 1.20 0.00 0.00 173.24 173.76 2e6p s PRO 14 N 1.39 -1.61 -0.23 5.44 0.04 -1.26 0.10 135.00 138.87 2e6p s PRO 14 Ca -0.09 -0.20 0.10 0.00 0.04 0.00 0.00 61.00 60.85 2e6p s PRO 14 Cb -0.07 -1.56 -0.21 0.00 0.04 0.00 0.00 34.50 32.69 2e6p s PRO 14 CO -0.13 -3.94 -0.08 1.04 0.04 0.00 0.00 177.00 173.92 2e6p n GLN 15 N -4.90 0.68 -4.18 4.56 6.02 -1.26 -4.94 117.38 113.36 2e6p n GLN 15 Ca 0.15 0.07 -0.14 0.00 -0.01 0.00 0.00 57.00 57.07 2e6p n GLN 15 Cb 0.60 -1.52 -0.08 0.00 1.02 0.00 0.00 30.24 30.26 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 -5.98 0.71 0.43 1.08 2.15 -1.26 -5.09 116.67 108.71 2e6p s ASP 16 Ca -0.22 -1.47 -0.22 0.00 0.43 0.00 0.00 52.55 51.08 2e6p s ASP 16 Cb 0.07 0.50 -0.13 0.00 -0.30 0.00 0.00 42.92 43.06 2e6p s ASP 16 CO 0.71 -1.02 0.37 1.17 -0.17 0.00 0.00 175.17 176.23 2e6p n LYS 17 N -0.44 0.35 -4.63 4.34 3.00 -1.26 -4.88 118.16 114.64 2e6p n LYS 17 Ca 0.03 0.13 -0.30 0.00 -0.00 0.00 0.00 58.31 58.17 2e6p n LYS 17 Cb 0.64 -1.33 -0.07 0.00 0.00 0.00 0.00 35.03 34.26 2e6p n LYS 17 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 2e6p n VAL 18 N -0.99 0.00 -3.63 3.15 0.24 -1.22 -5.08 118.33 110.80 2e6p n VAL 18 Ca 0.11 -2.48 -0.10 0.00 -2.04 0.00 0.00 64.34 59.84 2e6p n VAL 18 Cb 0.40 0.70 -0.10 0.00 -1.47 0.00 0.00 33.84 33.37 2e6p n VAL 18 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2e6p s SER 19 N -3.75 -0.08 0.13 -1.34 1.04 -1.26 -3.66 113.70 104.78 2e6p s SER 19 Ca 0.11 0.84 0.05 0.00 0.48 0.00 0.00 55.95 57.43 2e6p s SER 19 Cb 0.01 1.19 -0.04 0.00 0.10 0.00 0.00 66.02 67.28 2e6p s SER 19 CO 0.08 -0.24 -0.12 -0.76 0.98 0.00 0.00 173.24 173.18 2e6p s LEU 20 N 2.57 2.44 0.04 2.42 1.43 0.15 -4.98 118.68 122.75 2e6p s LEU 20 Ca 0.00 -0.87 -0.01 0.00 -1.03 0.00 0.00 54.13 52.22 2e6p s LEU 20 Cb -0.12 -0.44 -0.03 0.00 0.03 0.00 0.00 46.19 45.63 2e6p s LEU 20 CO -0.12 -0.22 -0.03 -0.89 0.23 0.00 0.00 176.35 175.32 2e6p s THR 21 N -2.56 0.16 0.33 5.49 2.01 -1.26 -2.05 115.64 117.76 2e6p s THR 21 Ca 0.11 -1.36 -0.16 0.00 0.31 0.00 0.00 61.69 60.58 2e6p s THR 21 Cb -0.02 -0.90 0.03 0.00 0.01 0.00 0.00 72.50 71.62 2e6p s THR 21 CO 0.02 -0.75 0.70 -0.36 -0.69 0.00 0.00 174.62 173.54 2e6p s PHE 22 N -2.70 0.10 -0.01 4.92 0.40 0.16 -4.88 117.98 115.97 2e6p s PHE 22 Ca -0.04 -0.63 0.02 0.00 -0.60 0.00 0.00 56.93 55.68 2e6p s PHE 22 Cb -0.01 0.64 -0.03 0.00 0.51 0.00 0.00 43.02 44.13 2e6p s PHE 22 CO -0.06 -1.34 -0.05 0.99 0.70 0.00 0.00 175.22 175.46 2e6p s THR 23 N -3.19 3.78 0.45 0.64 2.01 -1.26 -0.13 115.64 117.94 2e6p s THR 23 Ca 0.16 -0.68 -0.22 0.00 0.31 0.00 0.00 61.69 61.26 2e6p s THR 23 Cb -0.05 -2.64 -0.12 0.00 0.01 0.00 0.00 72.50 69.71 2e6p s THR 23 CO 0.10 0.43 0.57 0.41 -0.69 0.00 0.00 174.62 175.44 2e6p n THR 24 N 1.65 1.87 -3.26 -0.82 -1.04 -0.94 -2.66 114.28 109.07 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 0.53 -0.60 0.07 0.00 -1.82 0.00 0.00 70.33 68.50 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 1.11 -3.32 -4.05 8.00 7.64 0.31 -4.84 113.62 118.46 2e6p n SER 25 Ca 0.11 -0.49 -0.25 0.00 1.01 0.00 0.00 58.87 59.25 2e6p n SER 25 Cb 0.41 -4.30 -0.08 0.00 -1.01 0.00 0.00 64.21 59.23 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 -5.47 1.93 -0.29 1.43 0.41 -1.09 -4.82 118.70 110.81 2e6p s GLU 26 Ca 0.17 -2.18 -0.08 0.00 -0.41 0.00 0.00 54.97 52.47 2e6p s GLU 26 Cb -0.08 -0.54 -0.01 0.00 -1.78 0.00 0.00 34.13 31.72 2e6p s GLU 26 CO 0.60 -0.50 0.10 0.50 -0.49 0.00 0.00 175.26 175.48 2e6p s ARG 27 N -3.68 3.36 -0.14 1.61 3.52 -1.26 -0.16 118.95 122.20 2e6p s ARG 27 Ca 0.24 -0.69 -0.00 0.00 -0.13 0.00 0.00 55.73 55.16 2e6p s ARG 27 Cb 0.02 -3.43 -0.01 0.00 -1.56 0.00 0.00 34.95 29.97 2e6p s ARG 27 CO 0.15 -0.35 -0.13 0.08 -0.81 0.00 0.00 175.30 174.24 2e6p s VAL 28 N 1.58 2.99 -0.07 7.11 1.01 -1.00 -4.96 120.40 127.07 2e6p s VAL 28 Ca 0.05 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.35 2e6p s VAL 28 Cb -0.16 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 33.98 2e6p s VAL 28 CO 0.04 0.52 -0.04 -0.69 0.00 0.00 0.00 175.10 174.93 2e6p s VAL 29 N 0.50 0.61 0.51 2.92 1.01 -1.26 0.35 120.40 125.05 2e6p s VAL 29 Ca -0.09 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.82 2e6p s VAL 29 Cb -0.16 -0.67 0.10 0.00 0.00 0.00 0.00 36.38 35.65 2e6p s VAL 29 CO 0.04 0.27 0.70 0.18 0.00 0.00 0.00 175.10 176.30 2e6p n LEU 30 N 4.59 0.00 -3.63 3.92 4.77 0.24 -4.92 117.00 121.96 2e6p n LEU 30 Ca -0.16 -1.61 -0.15 0.00 -0.03 0.00 0.00 56.01 54.07 2e6p n LEU 30 Cb 0.50 -0.44 -0.07 0.00 -2.33 0.00 0.00 43.42 41.08 2e6p n LEU 30 CO 0.18 -0.81 0.36 -0.89 -1.33 0.00 0.00 177.39 174.89 2e6p s THR 31 N -2.08 0.00 0.08 -5.08 2.01 -1.26 -3.91 115.64 105.40 2e6p s THR 31 Ca 0.48 -0.02 -0.13 0.00 0.31 0.00 0.00 61.69 62.33 2e6p s THR 31 Cb -0.03 -0.92 0.02 0.00 0.01 0.00 0.00 72.50 71.58 2e6p s THR 31 CO 0.31 -0.01 0.31 0.00 -0.69 0.00 0.00 174.62 174.54 2e6p s GLU 33 N -3.34 0.46 0.38 0.00 2.12 0.29 -2.10 118.70 116.51 2e6p s GLU 33 Ca 0.00 -0.62 0.04 0.00 0.36 0.00 0.00 54.97 54.75 2e6p s GLU 33 Cb 0.02 -0.25 -0.05 0.00 0.26 0.00 0.00 34.13 34.11 2e6p s GLU 33 CO -0.08 0.04 0.06 -0.51 -0.54 0.00 0.00 175.26 174.23 2e6p s LEU 34 N -1.27 2.27 0.13 2.70 1.43 -0.39 -2.41 118.68 121.14 2e6p s LEU 34 Ca -0.09 -1.47 0.17 0.00 -1.03 0.00 0.00 54.13 51.71 2e6p s LEU 34 Cb -0.08 -0.45 -0.07 0.00 0.03 0.00 0.00 46.19 45.62 2e6p s LEU 34 CO 0.00 -0.68 1.01 0.77 0.23 0.00 0.00 176.35 177.68 2e6p h SER 35 N 1.91 0.00 -3.85 2.29 4.64 -1.15 -3.43 113.55 113.95 2e6p h SER 35 Ca -0.41 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.23 2e6p h SER 35 Cb 1.26 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.14 2e6p h SER 35 CO 0.69 0.51 -0.78 -0.13 -0.87 0.00 0.00 176.83 176.26 2e6p s ARG 36 N -2.97 2.19 0.33 4.77 0.52 -1.26 -4.97 118.95 117.55 2e6p s ARG 36 Ca -0.01 -0.93 -0.02 0.00 -0.52 0.00 0.00 55.73 54.26 2e6p s ARG 36 Cb 0.08 -2.27 -0.04 0.00 0.52 0.00 0.00 34.95 33.24 2e6p s ARG 36 CO 0.79 0.55 0.56 0.54 0.02 0.00 0.00 175.30 177.76 2e6p s VAL 37 N -0.97 5.07 -1.45 3.52 0.11 -1.26 -4.31 120.40 121.11 2e6p s VAL 37 Ca 0.16 -0.23 -0.06 0.00 -2.93 0.00 0.00 61.98 58.91 2e6p s VAL 37 Cb -0.11 -3.81 0.05 0.00 -1.53 0.00 0.00 36.38 30.98 2e6p s VAL 37 CO 0.07 -0.48 0.70 -0.67 -3.33 0.00 0.00 175.10 171.39 2e6p n ASP 38 N -1.47 -2.15 -4.64 3.54 2.03 0.17 -4.86 116.55 109.17 2e6p n ASP 38 Ca -0.03 -0.89 -0.35 0.00 0.52 0.00 0.00 54.79 54.04 2e6p n ASP 38 Cb 0.55 -3.52 -0.10 0.00 -0.72 0.00 0.00 41.12 37.33 2e6p n ASP 38 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2e6p s PHE 39 N -3.61 3.08 0.60 -0.67 5.36 -1.22 -5.08 117.98 116.44 2e6p s PHE 39 Ca 0.28 0.12 -0.17 0.00 -0.96 0.00 0.00 56.93 56.20 2e6p s PHE 39 Cb -0.14 -1.77 -0.03 0.00 -0.34 0.00 0.00 43.02 40.73 2e6p s PHE 39 CO 0.86 0.40 1.12 -1.25 -1.46 0.00 0.00 175.22 174.89 2e6p s PRO 40 N -0.81 3.10 0.26 10.12 0.04 -1.26 -5.02 135.00 141.44 2e6p s PRO 40 Ca 0.12 1.51 -0.21 0.00 0.04 0.00 0.00 61.00 62.46 2e6p s PRO 40 Cb -0.11 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.49 2e6p s PRO 40 CO 0.02 -1.03 0.81 0.00 0.04 0.00 0.00 177.00 176.84 2e6p s ALA 41 N -2.04 -1.26 -0.05 8.56 0.00 -1.26 -4.72 121.76 120.99 2e6p s ALA 41 Ca 0.70 -0.29 -0.02 0.00 0.00 0.00 0.00 51.96 52.35 2e6p s ALA 41 Cb -0.22 0.76 0.04 0.00 0.00 0.00 0.00 23.12 23.69 2e6p s ALA 41 CO 0.34 -1.03 0.11 0.99 0.00 0.00 0.00 175.76 176.17 2e6p s THR 42 N -3.34 -0.06 -0.16 0.00 2.01 -1.06 -5.02 115.64 108.01 2e6p s THR 42 Ca 0.13 0.20 -0.21 0.00 0.31 0.00 0.00 61.69 62.12 2e6p s THR 42 Cb -0.04 -0.20 -0.03 0.00 0.01 0.00 0.00 72.50 72.24 2e6p s THR 42 CO 0.07 0.08 0.64 0.26 -0.69 0.00 0.00 174.62 174.98 2e6p s TRP 43 N 1.21 3.44 -0.03 4.92 0.52 -1.26 -1.91 118.94 125.83 2e6p s TRP 43 Ca -0.08 1.01 0.07 0.00 0.02 0.00 0.00 56.10 57.12 2e6p s TRP 43 Cb -0.12 -2.78 -0.02 0.00 -1.15 0.00 0.00 33.47 29.40 2e6p s TRP 43 CO -0.05 -0.07 -0.24 0.71 0.02 0.00 0.00 176.95 177.31 2e6p s TYR 44 N 1.51 2.41 -0.06 -1.98 2.02 0.22 -2.76 117.35 118.70 2e6p s TYR 44 Ca 0.31 -0.44 0.03 0.00 -0.37 0.00 0.00 57.07 56.60 2e6p s TYR 44 Cb -0.16 -1.54 0.01 0.00 -0.40 0.00 0.00 41.96 39.87 2e6p s TYR 44 CO 0.12 -0.03 -0.15 0.21 -1.57 0.00 0.00 175.55 174.13 2e6p s LYS 45 N -0.55 1.86 -1.26 -0.62 2.20 -0.66 -0.50 119.74 120.20 2e6p s LYS 45 Ca 0.08 -0.53 -0.08 0.00 -0.36 0.00 0.00 55.97 55.08 2e6p s LYS 45 Cb -0.11 -1.54 0.06 0.00 -1.51 0.00 0.00 37.83 34.73 2e6p s LYS 45 CO -0.00 0.12 0.43 -3.47 -0.36 0.00 0.00 175.35 172.07 2e6p n ASP 46 N 3.53 -3.94 -2.29 1.43 2.03 -0.77 -0.35 116.55 116.19 2e6p n ASP 46 Ca -0.21 -0.29 -0.15 0.00 0.52 0.00 0.00 54.79 54.66 2e6p n ASP 46 Cb 0.52 -3.26 0.04 0.00 -0.72 0.00 0.00 41.12 37.70 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 -1.15 -0.09 3.34 0.27 0.00 -1.26 -5.02 105.19 101.29 2e6p n GLY 47 Ca -0.04 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 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 -5.55 0.43 0.22 1.61 -0.21 0.52 -5.14 119.66 111.55 2e6p s GLN 48 Ca 0.28 0.94 -0.28 0.00 0.02 0.00 0.00 55.36 56.32 2e6p s GLN 48 Cb -0.13 0.12 -0.16 0.00 1.00 0.00 0.00 33.01 33.85 2e6p s GLN 48 CO 0.35 -0.18 0.70 1.17 -2.12 0.00 0.00 175.29 175.21 2e6p n LYS 49 N 4.59 0.46 -2.67 2.91 4.81 -1.26 -1.65 118.16 125.34 2e6p n LYS 49 Ca -0.19 0.16 -0.30 0.00 -0.87 0.00 0.00 58.31 57.11 2e6p n LYS 49 Cb 0.54 -1.30 -0.03 0.00 0.02 0.00 0.00 35.03 34.27 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 -0.98 4.75 -0.40 3.15 -7.23 -1.11 -4.77 120.40 113.80 2e6p s VAL 50 Ca 0.63 0.70 -0.10 0.00 -1.81 0.00 0.00 61.98 61.40 2e6p s VAL 50 Cb -0.86 -3.76 0.06 0.00 0.56 0.00 0.00 36.38 32.38 2e6p s VAL 50 CO 0.57 -0.64 0.24 -1.83 -0.31 0.00 0.00 175.10 173.13 2e6p s GLU 51 N -4.09 2.70 -0.06 4.82 -1.05 -1.26 -5.04 118.70 114.72 2e6p s GLU 51 Ca 0.52 -1.30 -0.29 0.00 -0.15 0.00 0.00 54.97 53.75 2e6p s GLU 51 Cb -0.10 -3.76 -0.07 0.00 -0.44 0.00 0.00 34.13 29.76 2e6p s GLU 51 CO 0.35 -0.85 1.89 -1.21 0.95 0.00 0.00 175.26 176.39 2e6p s GLU 52 N 1.48 3.92 0.28 -4.83 2.02 -1.26 -4.65 118.70 115.66 2e6p s GLU 52 Ca 0.02 2.28 -0.10 0.00 0.02 0.00 0.00 54.97 57.20 2e6p s GLU 52 Cb -0.21 -4.14 0.04 0.00 0.10 0.00 0.00 34.13 29.91 2e6p s GLU 52 CO 0.04 -1.18 0.55 0.45 0.02 0.00 0.00 175.26 175.14 2e6p n SER 53 N 8.31 -1.59 -0.02 -0.19 2.88 -1.00 -4.97 113.62 117.04 2e6p n SER 53 Ca 0.21 -2.16 0.07 0.00 -1.33 0.00 0.00 58.87 55.66 2e6p n SER 53 Cb 0.43 2.67 0.46 0.00 -0.75 0.00 0.00 64.21 67.02 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 0.46 0.00 -1.46 4.11 -2.02 0.73 114.58 116.40 2e6p h GLU 54 Ca -0.24 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.17 2e6p h GLU 54 Cb 0.88 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2e6p h GLU 54 CO 0.30 0.31 0.00 1.28 0.07 0.00 0.00 179.01 180.97 2e6p n LEU 55 N -4.48 0.77 -3.79 3.06 4.77 -1.26 -4.57 117.00 111.50 2e6p n LEU 55 Ca 0.05 0.58 -0.29 0.00 -0.03 0.00 0.00 56.01 56.33 2e6p n LEU 55 Cb 0.18 -0.35 -0.16 0.00 -2.33 0.00 0.00 43.42 40.76 2e6p n LEU 55 CO 0.35 -0.21 -0.37 -0.22 -1.33 0.00 0.00 177.39 175.61 2e6p s LEU 56 N -4.47 1.82 -0.20 2.23 0.20 0.25 -4.32 118.68 114.19 2e6p s LEU 56 Ca 0.10 -1.13 -0.08 0.00 0.69 0.00 0.00 54.13 53.71 2e6p s LEU 56 Cb 0.12 -0.81 -0.04 0.00 -0.43 0.00 0.00 46.19 45.03 2e6p s LEU 56 CO 0.58 -0.32 0.08 -0.69 -0.29 0.00 0.00 176.35 175.71 2e6p s VAL 57 N 1.68 4.84 -0.35 1.68 1.01 -0.80 -2.37 120.40 126.09 2e6p s VAL 57 Ca 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 2e6p s VAL 57 Cb -0.18 -3.21 0.09 0.00 0.00 0.00 0.00 36.38 33.09 2e6p s VAL 57 CO -0.12 0.43 0.09 -0.69 0.00 0.00 0.00 175.10 174.81 2e6p s VAL 58 N 0.63 2.82 0.02 2.92 1.01 -1.26 -1.14 120.40 125.40 2e6p s VAL 58 Ca 0.04 -1.97 -0.01 0.00 0.00 0.00 0.00 61.98 60.04 2e6p s VAL 58 Cb -0.13 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 2e6p s VAL 58 CO 0.01 -0.49 0.18 -0.54 0.00 0.00 0.00 175.10 174.27 2e6p s LYS 59 N 1.09 3.40 -0.06 2.72 -0.14 -0.90 -5.02 119.74 120.82 2e6p s LYS 59 Ca 0.05 -0.38 -0.03 0.00 -1.36 0.00 0.00 55.97 54.24 2e6p s LYS 59 Cb -0.21 -3.05 0.03 0.00 -1.68 0.00 0.00 37.83 32.92 2e6p s LYS 59 CO -0.05 0.65 0.15 1.41 -0.76 0.00 0.00 175.35 176.75 2e6p s MET 60 N -2.14 0.12 -0.60 1.68 -2.45 -1.26 -2.08 119.30 112.56 2e6p s MET 60 Ca 0.30 0.33 0.04 0.00 -1.25 0.00 0.00 55.69 55.11 2e6p s MET 60 Cb -0.13 -0.10 0.16 0.00 1.25 0.00 0.00 34.83 36.01 2e6p s MET 60 CO 0.22 -0.12 0.42 -0.51 1.05 0.00 0.00 175.02 176.08 2e6p s ASP 61 N 0.86 3.81 0.00 1.11 1.01 0.75 -4.97 116.67 119.24 2e6p s ASP 61 Ca -0.07 -3.51 0.00 0.00 0.71 0.00 0.00 52.55 49.68 2e6p s ASP 61 Cb -0.08 -1.27 0.00 0.00 1.01 0.00 0.00 42.92 42.58 2e6p s ASP 61 CO -0.04 -0.13 0.00 0.61 0.21 0.00 0.00 175.17 175.82 2e6p n GLY 62 N 2.38 0.65 1.18 0.21 0.00 -1.26 -2.00 105.19 106.35 2e6p n GLY 62 Ca 0.21 0.62 -0.06 0.00 0.00 0.00 0.00 46.02 46.79 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 2.42 -3.63 1.61 1.85 -1.26 0.43 116.66 118.07 2e6p n ARG 63 Ca 0.00 -3.66 -0.24 0.00 -1.00 0.00 0.00 57.85 52.95 2e6p n ARG 63 Cb 0.00 -1.89 -0.17 0.00 -1.05 0.00 0.00 32.46 29.35 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 -3.39 0.04 -0.17 2.89 1.02 -0.85 -1.26 119.74 118.03 2e6p s LYS 64 Ca 0.43 0.03 -0.03 0.00 0.02 0.00 0.00 55.97 56.43 2e6p s LYS 64 Cb 0.39 -1.48 -0.02 0.00 -0.52 0.00 0.00 37.83 36.20 2e6p s LYS 64 CO -0.03 -0.58 -0.07 -1.01 -0.92 0.00 0.00 175.35 172.75 2e6p s HIS 65 N 2.14 2.93 0.02 3.18 3.76 -0.89 -0.18 115.29 126.24 2e6p s HIS 65 Ca 0.03 -0.63 0.01 0.00 -0.15 0.00 0.00 55.06 54.32 2e6p s HIS 65 Cb -0.15 -1.98 -0.01 0.00 1.11 0.00 0.00 32.58 31.55 2e6p s HIS 65 CO -0.07 -0.27 -0.05 -0.98 -0.85 0.00 0.00 174.74 172.51 2e6p s ARG 66 N 0.76 0.39 -0.26 1.40 1.70 -0.88 -0.25 118.95 121.80 2e6p s ARG 66 Ca -0.03 -0.41 -0.05 0.00 -0.47 0.00 0.00 55.73 54.77 2e6p s ARG 66 Cb -0.15 -0.25 0.00 0.00 -0.57 0.00 0.00 34.95 33.99 2e6p s ARG 66 CO 0.02 0.06 0.01 -1.17 -1.08 0.00 0.00 175.30 173.13 2e6p s LEU 67 N -0.77 3.38 0.07 -1.89 1.98 -1.25 -2.11 118.68 118.09 2e6p s LEU 67 Ca -0.05 -0.61 0.01 0.00 -2.89 0.00 0.00 54.13 50.59 2e6p s LEU 67 Cb -0.05 -1.79 -0.04 0.00 0.66 0.00 0.00 46.19 44.96 2e6p s LEU 67 CO -0.00 -0.11 0.19 -0.63 -1.89 0.00 0.00 176.35 173.90 2e6p s ILE 68 N 1.46 5.20 -0.07 6.68 1.01 -0.29 -0.60 121.20 134.59 2e6p s ILE 68 Ca 0.03 -0.50 -0.02 0.00 0.00 0.00 0.00 60.65 60.17 2e6p s ILE 68 Cb -0.16 -3.54 0.03 0.00 0.01 0.00 0.00 42.46 38.80 2e6p s ILE 68 CO -0.01 0.12 0.04 -0.76 0.00 0.00 0.00 174.94 174.33 2e6p s LEU 69 N -2.54 0.38 0.17 2.97 1.43 0.16 -1.90 118.68 119.34 2e6p s LEU 69 Ca 0.34 -0.08 -0.07 0.00 -1.03 0.00 0.00 54.13 53.28 2e6p s LEU 69 Cb -0.13 -0.28 0.05 0.00 0.03 0.00 0.00 46.19 45.86 2e6p s LEU 69 CO 0.27 -0.24 1.52 1.55 0.23 0.00 0.00 176.35 179.68 2e6p h PRO 70 N 8.39 0.80 -2.96 1.29 0.13 -1.83 -2.65 132.00 135.17 2e6p h PRO 70 Ca -0.15 -0.42 -0.58 0.00 -0.87 0.00 0.00 66.00 63.98 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 0.21 1.05 -0.78 -2.00 -0.23 0.00 0.00 178.00 176.25 2e6p s GLU 71 N -4.34 0.75 -0.66 0.86 2.12 -1.25 -4.44 118.70 111.75 2e6p s GLU 71 Ca -0.10 -1.35 -0.27 0.00 0.36 0.00 0.00 54.97 53.62 2e6p s GLU 71 Cb 0.12 -1.74 0.01 0.00 0.26 0.00 0.00 34.13 32.77 2e6p s GLU 71 CO 0.86 -1.11 1.50 0.00 -0.54 0.00 0.00 175.26 175.96 2e6p s ALA 72 N 1.14 2.58 0.45 6.30 0.00 0.78 -4.84 121.76 128.17 2e6p s ALA 72 Ca 0.15 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.14 2e6p s ALA 72 Cb -0.21 -4.24 0.01 0.00 0.00 0.00 0.00 23.12 18.67 2e6p s ALA 72 CO -0.11 -3.41 0.64 0.15 0.00 0.00 0.00 175.76 173.03 2e6p s LYS 73 N 6.11 2.90 0.61 0.00 1.02 -1.26 -0.53 119.74 128.60 2e6p s LYS 73 Ca 0.49 -0.78 0.30 0.00 0.02 0.00 0.00 55.97 56.00 2e6p s LYS 73 Cb -0.10 -2.62 1.64 0.00 -0.52 0.00 0.00 37.83 36.23 2e6p s LYS 73 CO 0.19 -0.32 2.01 0.28 -0.92 0.00 0.00 175.35 176.59 2e6p h VAL 74 N 0.44 0.29 0.00 3.17 2.07 -1.94 0.34 116.25 120.62 2e6p h VAL 74 Ca -0.44 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 66.95 2e6p h VAL 74 Cb 1.27 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 2e6p h VAL 74 CO 0.53 0.00 -0.61 1.56 0.02 0.00 0.00 177.57 179.08 2e6p h GLN 75 N 0.00 0.00 0.00 1.57 4.20 -1.93 -3.13 115.11 115.83 2e6p h GLN 75 Ca 0.10 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.77 2e6p h GLN 75 Cb 0.72 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 2e6p h GLN 75 CO -0.00 0.61 -0.21 -0.44 -0.67 0.00 0.00 178.83 178.11 2e6p h ASP 76 N 0.00 0.00 -1.52 1.46 5.19 -0.69 -3.42 116.42 117.43 2e6p h ASP 76 Ca -0.01 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 55.89 2e6p h ASP 76 Cb 1.35 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.86 2e6p h ASP 76 CO 0.08 0.21 1.59 -1.54 -3.12 0.00 0.00 179.24 176.46 2e6p n SER 77 N -3.41 2.37 -3.29 6.45 3.41 -1.18 -4.83 113.62 113.14 2e6p n SER 77 Ca -0.00 -0.20 -0.03 0.00 -0.26 0.00 0.00 58.87 58.38 2e6p n SER 77 Cb 0.41 -1.50 0.02 0.00 -0.26 0.00 0.00 64.21 62.88 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 6.04 0.60 3.77 5.00 0.00 -0.39 -4.90 105.19 115.32 2e6p n GLY 78 Ca 0.38 -1.15 -0.36 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.05 4.00 0.15 1.61 2.12 -1.26 -1.80 118.70 121.47 2e6p s GLU 79 Ca 0.23 -0.10 0.05 0.00 0.36 0.00 0.00 54.97 55.52 2e6p s GLU 79 Cb -0.03 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 2e6p s GLU 79 CO 0.05 0.43 0.08 -0.06 -0.54 0.00 0.00 175.26 175.22 2e6p s PHE 80 N -0.05 3.06 -0.14 5.30 0.40 0.20 -1.85 117.98 124.90 2e6p s PHE 80 Ca 0.12 -0.04 -0.07 0.00 -0.60 0.00 0.00 56.93 56.35 2e6p s PHE 80 Cb -0.12 -1.49 0.05 0.00 0.51 0.00 0.00 43.02 41.97 2e6p s PHE 80 CO 0.02 0.52 0.32 -2.00 0.70 0.00 0.00 175.22 174.77 2e6p s GLU 81 N -2.90 0.28 -1.05 0.44 2.12 0.34 -0.79 118.70 117.15 2e6p s GLU 81 Ca 0.29 0.66 -0.11 0.00 0.36 0.00 0.00 54.97 56.17 2e6p s GLU 81 Cb -0.10 -0.07 0.25 0.00 0.26 0.00 0.00 34.13 34.47 2e6p s GLU 81 CO 0.21 -0.17 1.06 0.00 -0.54 0.00 0.00 175.26 175.82 2e6p s ARG 83 N -0.51 4.22 0.28 0.00 3.52 -0.80 -3.83 118.95 121.82 2e6p s ARG 83 Ca 0.29 2.37 0.00 0.00 -0.13 0.00 0.00 55.73 58.26 2e6p s ARG 83 Cb -0.09 -3.13 -0.02 0.00 -1.56 0.00 0.00 34.95 30.14 2e6p s ARG 83 CO -0.08 -0.56 0.29 -0.08 -0.81 0.00 0.00 175.30 174.06 2e6p s THR 84 N 0.77 0.00 -0.98 4.11 -1.32 -0.96 -2.56 115.64 114.70 2e6p s THR 84 Ca 0.67 -1.86 -0.21 0.00 -1.21 0.00 0.00 61.69 59.08 2e6p s THR 84 Cb -0.44 -2.50 -0.10 0.00 -1.51 0.00 0.00 72.50 67.95 2e6p s THR 84 CO 0.35 0.00 1.95 -0.62 -2.21 0.00 0.00 174.62 174.10 2e6p n GLU 85 N -0.47 1.80 0.00 7.08 1.02 -1.26 -3.73 120.64 125.08 2e6p n GLU 85 Ca 0.03 -2.17 0.00 0.00 -0.02 0.00 0.00 57.16 55.01 2e6p n GLU 85 Cb 0.63 -3.18 0.00 0.00 -0.02 0.00 0.00 31.44 28.87 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 4.81 -0.09 2.60 0.62 0.00 -1.26 -3.82 105.19 108.05 2e6p n GLY 86 Ca 0.49 0.22 -0.15 0.00 0.00 0.00 0.00 46.02 46.58 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 -3.96 1.61 0.24 -1.24 -5.07 118.33 109.91 2e6p n VAL 87 Ca 0.00 -1.87 -0.09 0.00 -2.04 0.00 0.00 64.34 60.34 2e6p n VAL 87 Cb 0.00 0.96 -0.10 0.00 -1.47 0.00 0.00 33.84 33.23 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 -2.85 0.22 0.46 -1.34 0.01 -1.26 -2.27 113.70 106.66 2e6p s SER 88 Ca 0.31 -0.53 0.08 0.00 1.31 0.00 0.00 55.95 57.11 2e6p s SER 88 Cb 0.01 0.18 0.02 0.00 0.21 0.00 0.00 66.02 66.44 2e6p s SER 88 CO 0.22 -0.43 0.56 0.00 0.41 0.00 0.00 173.24 173.99 2e6p s ALA 89 N -2.23 4.45 -0.06 1.44 0.00 -1.25 -4.91 121.76 119.20 2e6p s ALA 89 Ca -0.08 -1.80 -0.02 0.00 0.00 0.00 0.00 51.96 50.05 2e6p s ALA 89 Cb -0.04 -1.37 0.04 0.00 0.00 0.00 0.00 23.12 21.75 2e6p s ALA 89 CO -0.03 -0.40 0.11 -0.06 0.00 0.00 0.00 175.76 175.38 2e6p s PHE 90 N -2.48 -0.09 -0.17 0.00 0.40 -1.26 -3.65 117.98 110.73 2e6p s PHE 90 Ca 0.53 0.42 -0.00 0.00 -0.60 0.00 0.00 56.93 57.28 2e6p s PHE 90 Cb -0.07 -0.25 0.04 0.00 0.51 0.00 0.00 43.02 43.25 2e6p s PHE 90 CO 0.32 -0.19 -0.07 -0.06 0.70 0.00 0.00 175.22 175.92 2e6p s PHE 91 N 1.74 1.89 -0.35 0.36 0.08 0.03 -3.44 117.98 118.28 2e6p s PHE 91 Ca -0.02 -1.21 -0.20 0.00 0.12 0.00 0.00 56.93 55.62 2e6p s PHE 91 Cb -0.12 -1.40 -0.00 0.00 -0.57 0.00 0.00 43.02 40.93 2e6p s PHE 91 CO -0.05 -0.65 0.59 0.20 -0.10 0.00 0.00 175.22 175.22 2e6p s GLY 92 N 1.57 1.77 -0.10 4.36 0.00 -1.24 -0.63 107.32 113.06 2e6p s GLY 92 Ca 0.00 -0.89 0.03 0.00 0.00 0.00 0.00 44.72 43.86 2e6p s GLY 92 CO -0.08 1.41 -0.20 0.14 0.00 0.00 0.00 173.10 174.37 2e6p s VAL 93 N 2.60 2.40 -0.12 1.40 1.01 -0.74 0.33 120.40 127.28 2e6p s VAL 93 Ca 0.23 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.30 2e6p s VAL 93 Cb -0.15 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.31 2e6p s VAL 93 CO 0.14 0.55 -0.12 -0.89 0.00 0.00 0.00 175.10 174.79 2e6p s THR 94 N 0.21 1.31 -0.50 3.92 2.01 -0.87 -1.26 115.64 120.46 2e6p s THR 94 Ca -0.13 -0.49 -0.11 0.00 0.31 0.00 0.00 61.69 61.27 2e6p s THR 94 Cb -0.16 -1.26 0.13 0.00 0.01 0.00 0.00 72.50 71.22 2e6p s THR 94 CO 0.07 0.41 0.40 -0.69 -0.69 0.00 0.00 174.62 174.12 2e6p s VAL 95 N 1.41 4.54 -0.15 3.82 1.01 -1.26 0.37 120.40 130.14 2e6p s VAL 95 Ca 0.01 -1.73 -0.23 0.00 0.00 0.00 0.00 61.98 60.04 2e6p s VAL 95 Cb -0.13 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 2e6p s VAL 95 CO -0.07 -0.81 0.71 -1.10 0.00 0.00 0.00 175.10 173.82 2e6p s GLN 96 N 1.39 4.30 0.18 2.72 -0.21 0.81 -4.57 119.66 124.29 2e6p s GLN 96 Ca 0.05 0.81 -0.30 0.00 0.02 0.00 0.00 55.36 55.93 2e6p s GLN 96 Cb -0.27 -3.54 -0.09 0.00 1.00 0.00 0.00 33.01 30.12 2e6p s GLN 96 CO 0.00 -0.17 1.38 0.16 -2.12 0.00 0.00 175.29 174.54 2e6p s ASP 97 N 1.06 6.81 0.47 5.90 -4.77 -1.26 -2.22 116.67 122.65 2e6p s ASP 97 Ca 0.34 2.45 -0.22 0.00 -3.30 0.00 0.00 52.55 51.81 2e6p s ASP 97 Cb -0.17 -2.60 -0.07 0.00 -1.09 0.00 0.00 42.92 38.99 2e6p s ASP 97 CO 0.13 -0.62 1.16 -2.16 0.70 0.00 0.00 175.17 174.38 2e6p s PRO 98 N 0.26 3.71 -0.09 2.11 0.04 -1.26 -4.92 135.00 134.85 2e6p s PRO 98 Ca 0.60 1.75 -0.02 0.00 0.04 0.00 0.00 61.00 63.38 2e6p s PRO 98 Cb -0.38 -2.36 -0.05 0.00 0.04 0.00 0.00 34.50 31.75 2e6p s PRO 98 CO 0.36 -0.59 -0.10 0.43 0.04 0.00 0.00 177.00 177.15 2e6p n SER 99 N -0.59 2.00 -4.70 6.66 7.64 -1.26 -5.03 113.62 118.35 2e6p n SER 99 Ca 0.08 0.03 -0.40 0.00 1.01 0.00 0.00 58.87 59.59 2e6p n SER 99 Cb 0.48 -0.21 0.02 0.00 -1.01 0.00 0.00 64.21 63.50 2e6p n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e6p n GLY 100 N 2.75 0.48 0.00 0.23 0.00 -1.26 -4.85 105.19 102.54 2e6p n GLY 100 Ca -0.17 0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.07 2e6p n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2e6p n PRO 101 N -0.15 0.49 -3.37 1.61 -0.04 -1.26 -4.83 135.00 127.44 2e6p n PRO 101 Ca 0.08 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.35 2e6p n PRO 101 Cb 0.41 -1.45 0.07 0.00 -0.04 0.00 0.00 33.50 32.49 2e6p n PRO 101 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2e6p n SER 102 N -0.95 -5.25 -4.76 3.54 7.64 -1.26 -4.98 113.62 107.61 2e6p n SER 102 Ca 0.10 -0.45 -0.40 0.00 1.01 0.00 0.00 58.87 59.14 2e6p n SER 102 Cb 0.05 -4.20 -0.06 0.00 -1.01 0.00 0.00 64.21 58.99 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 -3.34 7.53 0.00 6.43 0.01 -1.26 -5.29 113.70 117.78 2e6p s SER 103 Ca 0.43 1.81 0.00 0.00 1.31 0.00 0.00 55.95 59.51 2e6p s SER 103 Cb -0.19 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.48 2e6p s SER 103 CO 0.59 0.17 0.00 0.61 0.41 0.00 0.00 173.24 175.03