#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 5.02 0.14 1.61 0.15 -1.26 -5.09 113.70 114.27 2e6p s SER 2 Ca 0.00 -1.44 0.05 0.00 0.70 0.00 0.00 55.95 55.26 2e6p s SER 2 Cb 0.00 -1.75 -0.04 0.00 -1.71 0.00 0.00 66.02 62.51 2e6p s SER 2 CO 0.00 -0.33 -0.12 -0.55 1.20 0.00 0.00 173.24 173.44 2e6p s SER 3 N 1.39 1.94 0.00 5.45 0.15 -1.26 -5.12 113.70 116.25 2e6p s SER 3 Ca -0.01 -0.92 0.00 0.00 0.70 0.00 0.00 55.95 55.71 2e6p s SER 3 Cb -0.20 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.06 2e6p s SER 3 CO -0.01 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.80 2e6p n GLY 4 N 0.10 0.69 2.49 9.45 0.00 -1.26 -5.14 105.19 111.52 2e6p n GLY 4 Ca -0.12 0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 2e6p n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2e6p n SER 5 N 0.00 -1.79 -4.44 1.61 3.41 -1.26 -4.79 113.62 106.35 2e6p n SER 5 Ca 0.00 0.68 -0.44 0.00 -0.26 0.00 0.00 58.87 58.84 2e6p n SER 5 Cb 0.00 -0.67 -0.01 0.00 -0.26 0.00 0.00 64.21 63.26 2e6p n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2e6p s SER 6 N -0.75 6.88 -0.31 4.04 0.15 -1.26 -4.76 113.70 117.69 2e6p s SER 6 Ca 0.45 -2.61 -0.10 0.00 0.70 0.00 0.00 55.95 54.40 2e6p s SER 6 Cb -0.54 -2.37 0.21 0.00 -1.71 0.00 0.00 66.02 61.61 2e6p s SER 6 CO 0.45 -0.83 1.16 -0.83 1.20 0.00 0.00 173.24 174.39 2e6p s GLY 7 N 3.01 -1.98 -0.02 9.45 0.00 -1.26 -5.05 107.32 111.46 2e6p s GLY 7 Ca 0.36 0.86 -0.26 0.00 0.00 0.00 0.00 44.72 45.68 2e6p s GLY 7 CO -0.05 4.42 1.26 -0.56 0.00 0.00 0.00 173.10 178.18 2e6p h PRO 8 N 4.20 -0.00 -2.06 2.90 0.13 -2.00 -3.46 132.00 131.71 2e6p h PRO 8 Ca -0.02 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.08 2e6p h PRO 8 Cb 1.19 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.10 2e6p h PRO 8 CO -0.13 0.48 0.06 0.54 -0.23 0.00 0.00 178.00 178.73 2e6p s VAL 9 N -4.25 -0.00 -0.04 1.56 0.11 -1.26 -4.88 120.40 111.64 2e6p s VAL 9 Ca -0.16 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 58.92 2e6p s VAL 9 Cb 0.02 -0.97 0.00 0.00 -1.53 0.00 0.00 36.38 33.90 2e6p s VAL 9 CO 0.67 0.00 -0.13 -1.38 -3.33 0.00 0.00 175.10 170.94 2e6p s HIS 10 N 0.84 1.37 0.58 1.54 -3.43 -1.26 -4.68 115.29 110.24 2e6p s HIS 10 Ca -0.04 -0.41 -0.20 0.00 -0.80 0.00 0.00 55.06 53.61 2e6p s HIS 10 Cb -0.05 -0.96 -0.05 0.00 -1.43 0.00 0.00 32.58 30.09 2e6p s HIS 10 CO -0.07 -0.17 1.16 -0.89 -2.00 0.00 0.00 174.74 172.77 2e6p n ILE 11 N 3.39 3.90 -0.02 -5.38 5.41 -1.26 -3.02 119.36 122.37 2e6p n ILE 11 Ca -0.20 -0.50 -0.02 0.00 1.00 0.00 0.00 62.75 63.03 2e6p n ILE 11 Cb 0.53 -1.38 -0.02 0.00 -0.71 0.00 0.00 39.64 38.06 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 -0.96 1.44 -3.70 1.39 4.77 -1.03 -4.90 117.00 114.00 2e6p n LEU 12 Ca 0.13 -0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 55.99 2e6p n LEU 12 Cb 0.46 -0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.40 2e6p n LEU 12 CO 0.51 0.32 -0.00 -0.55 -1.33 0.00 0.00 177.39 176.34 2e6p s SER 13 N -3.92 -0.40 1.10 -1.43 0.15 -1.25 -4.21 113.70 103.74 2e6p s SER 13 Ca -0.04 0.78 -0.08 0.00 0.70 0.00 0.00 55.95 57.31 2e6p s SER 13 Cb 0.01 0.70 0.13 0.00 -1.71 0.00 0.00 66.02 65.14 2e6p s SER 13 CO 0.13 -0.19 0.45 -0.81 1.20 0.00 0.00 173.24 174.02 2e6p n PRO 14 N 4.35 -1.90 -0.11 5.44 -0.04 -1.26 0.90 135.00 142.38 2e6p n PRO 14 Ca -0.23 -0.72 -0.14 0.00 -0.04 0.00 0.00 63.50 62.37 2e6p n PRO 14 Cb 0.54 -0.67 -0.13 0.00 -0.04 0.00 0.00 33.50 33.20 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 -2.88 0.70 -4.15 0.54 6.02 -1.26 -4.94 117.38 111.41 2e6p n GLN 15 Ca 0.06 0.09 -0.15 0.00 -0.01 0.00 0.00 57.00 57.00 2e6p n GLN 15 Cb 0.24 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 29.95 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 -6.04 0.82 0.10 1.08 2.15 -1.26 -5.08 116.67 108.45 2e6p s ASP 16 Ca -0.25 -1.46 -0.36 0.00 0.43 0.00 0.00 52.55 50.91 2e6p s ASP 16 Cb 0.08 0.57 -0.16 0.00 -0.30 0.00 0.00 42.92 43.10 2e6p s ASP 16 CO 0.64 -1.13 1.32 1.17 -0.17 0.00 0.00 175.17 177.00 2e6p n LYS 17 N -0.50 1.19 -3.86 4.34 3.00 -1.26 -4.79 118.16 116.29 2e6p n LYS 17 Ca 0.02 0.43 -0.23 0.00 -0.00 0.00 0.00 58.31 58.53 2e6p n LYS 17 Cb 0.63 -2.05 -0.05 0.00 0.00 0.00 0.00 35.03 33.55 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 0.38 2.45 -0.03 3.15 -7.23 -0.84 -5.00 120.40 113.27 2e6p s VAL 18 Ca 0.82 -1.52 0.01 0.00 -1.81 0.00 0.00 61.98 59.48 2e6p s VAL 18 Cb -0.93 -2.98 0.02 0.00 0.56 0.00 0.00 36.38 33.05 2e6p s VAL 18 CO 0.47 0.00 -0.04 -0.55 -0.31 0.00 0.00 175.10 174.67 2e6p s SER 19 N -4.02 0.80 -0.01 4.85 0.15 -1.26 -1.64 113.70 112.56 2e6p s SER 19 Ca 0.44 -0.11 -0.11 0.00 0.70 0.00 0.00 55.95 56.87 2e6p s SER 19 Cb 0.00 -0.33 0.01 0.00 -1.71 0.00 0.00 66.02 63.99 2e6p s SER 19 CO 0.25 -0.03 0.23 -0.76 1.20 0.00 0.00 173.24 174.13 2e6p s LEU 20 N 0.67 1.18 -0.04 3.45 1.43 0.11 -4.94 118.68 120.54 2e6p s LEU 20 Ca -0.08 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 2e6p s LEU 20 Cb -0.12 0.98 0.01 0.00 0.03 0.00 0.00 46.19 47.09 2e6p s LEU 20 CO -0.00 -0.39 -0.09 -0.89 0.23 0.00 0.00 176.35 175.21 2e6p s THR 21 N -1.27 0.83 0.26 5.49 2.01 -1.26 -2.30 115.64 119.40 2e6p s THR 21 Ca -0.13 -0.33 0.02 0.00 0.31 0.00 0.00 61.69 61.56 2e6p s THR 21 Cb -0.06 -0.77 -0.05 0.00 0.01 0.00 0.00 72.50 71.62 2e6p s THR 21 CO 0.03 0.28 0.07 -0.36 -0.69 0.00 0.00 174.62 173.94 2e6p s PHE 22 N 0.57 1.61 0.12 4.92 0.40 0.58 -4.93 117.98 121.25 2e6p s PHE 22 Ca -0.10 -1.09 0.06 0.00 -0.60 0.00 0.00 56.93 55.20 2e6p s PHE 22 Cb -0.13 -0.96 -0.04 0.00 0.51 0.00 0.00 43.02 42.40 2e6p s PHE 22 CO 0.02 -0.22 -0.03 0.99 0.70 0.00 0.00 175.22 176.68 2e6p s THR 23 N -3.61 3.74 0.58 0.64 2.01 -1.26 -1.18 115.64 116.55 2e6p s THR 23 Ca 0.35 -1.21 -0.18 0.00 0.31 0.00 0.00 61.69 60.97 2e6p s THR 23 Cb 0.08 -2.81 -0.07 0.00 0.01 0.00 0.00 72.50 69.71 2e6p s THR 23 CO 0.13 0.04 0.72 0.41 -0.69 0.00 0.00 174.62 175.23 2e6p n THR 24 N 0.39 2.87 -3.48 -0.82 -1.04 -1.18 -2.80 114.28 108.22 2e6p n THR 24 Ca -0.11 -0.50 -0.20 0.00 -2.04 0.00 0.00 64.05 61.20 2e6p n THR 24 Cb 0.53 -0.88 0.08 0.00 -1.82 0.00 0.00 70.33 68.24 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 -0.03 -3.98 -4.22 8.00 3.41 -0.98 -4.88 113.62 110.95 2e6p n SER 25 Ca 0.12 -0.57 -0.25 0.00 -0.26 0.00 0.00 58.87 57.92 2e6p n SER 25 Cb 0.47 -4.98 -0.09 0.00 -0.26 0.00 0.00 64.21 59.36 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 -5.76 1.87 -0.29 4.33 0.41 -1.12 -4.80 118.70 113.33 2e6p s GLU 26 Ca 0.26 -2.12 -0.09 0.00 -0.41 0.00 0.00 54.97 52.61 2e6p s GLU 26 Cb -0.12 -0.68 -0.02 0.00 -1.78 0.00 0.00 34.13 31.53 2e6p s GLU 26 CO 0.71 -0.41 0.14 0.50 -0.49 0.00 0.00 175.26 175.71 2e6p s ARG 27 N -3.77 3.51 -0.26 1.61 3.52 -1.26 -1.04 118.95 121.26 2e6p s ARG 27 Ca 0.26 -0.60 -0.02 0.00 -0.13 0.00 0.00 55.73 55.24 2e6p s ARG 27 Cb 0.04 -3.52 0.03 0.00 -1.56 0.00 0.00 34.95 29.94 2e6p s ARG 27 CO 0.14 -0.33 -0.04 0.08 -0.81 0.00 0.00 175.30 174.35 2e6p s VAL 28 N 1.64 2.99 -0.16 7.11 1.01 -1.01 -4.96 120.40 127.02 2e6p s VAL 28 Ca 0.05 -1.06 -0.00 0.00 0.00 0.00 0.00 61.98 60.97 2e6p s VAL 28 Cb -0.16 -2.56 0.04 0.00 0.00 0.00 0.00 36.38 33.69 2e6p s VAL 28 CO 0.06 0.13 -0.07 0.54 0.00 0.00 0.00 175.10 175.76 2e6p s VAL 29 N 1.33 1.22 0.43 2.92 0.11 -1.26 -1.13 120.40 124.02 2e6p s VAL 29 Ca -0.01 -0.65 -0.03 0.00 -2.93 0.00 0.00 61.98 58.36 2e6p s VAL 29 Cb -0.17 -1.34 0.09 0.00 -1.53 0.00 0.00 36.38 33.43 2e6p s VAL 29 CO -0.03 0.19 0.58 0.18 -3.33 0.00 0.00 175.10 172.69 2e6p n LEU 30 N 4.84 0.00 -3.66 2.54 4.77 -0.78 -4.95 117.00 119.77 2e6p n LEU 30 Ca -0.13 -0.95 -0.11 0.00 -0.03 0.00 0.00 56.01 54.79 2e6p n LEU 30 Cb 0.48 -0.41 -0.08 0.00 -2.33 0.00 0.00 43.42 41.08 2e6p n LEU 30 CO 0.17 -0.84 0.29 -0.89 -1.33 0.00 0.00 177.39 174.79 2e6p s THR 31 N -1.88 -0.00 0.03 -5.08 2.01 -1.26 -4.09 115.64 105.37 2e6p s THR 31 Ca 0.36 0.01 -0.03 0.00 0.31 0.00 0.00 61.69 62.35 2e6p s THR 31 Cb -0.02 -0.88 -0.02 0.00 0.01 0.00 0.00 72.50 71.59 2e6p s THR 31 CO 0.24 0.01 0.02 0.00 -0.69 0.00 0.00 174.62 174.20 2e6p s GLU 33 N -2.42 0.68 0.38 0.00 2.12 0.26 -1.85 118.70 117.86 2e6p s GLU 33 Ca -0.07 -0.92 0.04 0.00 0.36 0.00 0.00 54.97 54.38 2e6p s GLU 33 Cb -0.03 -0.45 -0.04 0.00 0.26 0.00 0.00 34.13 33.87 2e6p s GLU 33 CO -0.04 0.08 0.08 -0.51 -0.54 0.00 0.00 175.26 174.33 2e6p s LEU 34 N -1.89 2.15 0.19 2.70 1.43 -0.45 -2.47 118.68 120.34 2e6p s LEU 34 Ca -0.04 -1.52 0.19 0.00 -1.03 0.00 0.00 54.13 51.73 2e6p s LEU 34 Cb -0.08 -0.34 0.00 0.00 0.03 0.00 0.00 46.19 45.81 2e6p s LEU 34 CO 0.00 -0.75 1.10 -1.28 0.23 0.00 0.00 176.35 175.65 2e6p h SER 35 N 1.89 0.00 -3.99 2.29 0.87 -1.86 -3.44 113.55 109.31 2e6p h SER 35 Ca -0.39 0.00 -0.69 0.00 -1.23 0.00 0.00 61.79 59.48 2e6p h SER 35 Cb 1.26 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 63.00 2e6p h SER 35 CO 0.66 0.30 -0.82 -0.13 -0.53 0.00 0.00 176.83 176.31 2e6p s ARG 36 N -3.12 2.00 0.45 2.24 0.52 -1.26 -5.01 118.95 114.78 2e6p s ARG 36 Ca 0.00 -1.02 -0.01 0.00 -0.52 0.00 0.00 55.73 54.18 2e6p s ARG 36 Cb 0.08 -2.15 -0.01 0.00 0.52 0.00 0.00 34.95 33.39 2e6p s ARG 36 CO 0.78 0.53 0.69 0.54 0.02 0.00 0.00 175.30 177.86 2e6p s VAL 37 N -0.93 4.28 -1.64 3.52 0.11 -1.26 -4.30 120.40 120.18 2e6p s VAL 37 Ca 0.14 -0.34 -0.15 0.00 -2.93 0.00 0.00 61.98 58.71 2e6p s VAL 37 Cb -0.10 -3.60 0.12 0.00 -1.53 0.00 0.00 36.38 31.27 2e6p s VAL 37 CO 0.05 -0.46 0.72 -0.90 -3.33 0.00 0.00 175.10 171.18 2e6p n ASP 38 N -2.11 -2.80 -4.77 3.54 5.68 -0.65 -4.84 116.55 110.59 2e6p n ASP 38 Ca 0.01 -1.00 -0.36 0.00 -0.50 0.00 0.00 54.79 52.94 2e6p n ASP 38 Cb 0.57 -2.86 -0.08 0.00 -1.14 0.00 0.00 41.12 37.61 2e6p n ASP 38 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 2e6p s PHE 39 N -3.43 3.38 0.53 2.11 5.36 -1.23 -5.07 117.98 119.62 2e6p s PHE 39 Ca 0.59 0.35 -0.20 0.00 -0.96 0.00 0.00 56.93 56.71 2e6p s PHE 39 Cb -0.32 -1.88 -0.06 0.00 -0.34 0.00 0.00 43.02 40.42 2e6p s PHE 39 CO 0.92 0.58 1.14 -1.25 -1.46 0.00 0.00 175.22 175.14 2e6p s PRO 40 N -0.87 3.43 0.35 10.12 0.04 -1.26 -5.00 135.00 141.81 2e6p s PRO 40 Ca 0.13 1.64 -0.17 0.00 0.04 0.00 0.00 61.00 62.65 2e6p s PRO 40 Cb -0.12 -2.08 0.05 0.00 0.04 0.00 0.00 34.50 32.40 2e6p s PRO 40 CO 0.03 -0.79 0.82 0.00 0.04 0.00 0.00 177.00 177.09 2e6p s ALA 41 N -1.73 -0.91 -0.17 8.56 0.00 -1.26 -4.60 121.76 121.66 2e6p s ALA 41 Ca 0.71 -0.64 -0.19 0.00 0.00 0.00 0.00 51.96 51.84 2e6p s ALA 41 Cb -0.25 0.70 0.05 0.00 0.00 0.00 0.00 23.12 23.62 2e6p s ALA 41 CO 0.28 -1.00 0.52 0.99 0.00 0.00 0.00 175.76 176.55 2e6p s THR 42 N -2.46 0.00 0.06 0.00 2.01 0.13 -4.98 115.64 110.40 2e6p s THR 42 Ca 0.16 -0.04 -0.11 0.00 0.31 0.00 0.00 61.69 62.01 2e6p s THR 42 Cb -0.05 -0.74 -0.06 0.00 0.01 0.00 0.00 72.50 71.67 2e6p s THR 42 CO 0.10 -0.02 0.39 0.26 -0.69 0.00 0.00 174.62 174.66 2e6p s TRP 43 N 0.03 3.62 0.02 4.92 0.52 -1.26 -0.95 118.94 125.84 2e6p s TRP 43 Ca -0.02 0.83 -0.01 0.00 0.02 0.00 0.00 56.10 56.92 2e6p s TRP 43 Cb -0.03 -2.18 -0.02 0.00 -1.15 0.00 0.00 33.47 30.08 2e6p s TRP 43 CO 0.02 0.55 -0.02 0.71 0.02 0.00 0.00 176.95 178.23 2e6p s TYR 44 N -1.32 0.28 -0.07 -1.98 2.02 0.51 -3.26 117.35 113.54 2e6p s TYR 44 Ca 0.30 -0.57 0.01 0.00 -0.37 0.00 0.00 57.07 56.44 2e6p s TYR 44 Cb -0.14 -0.20 0.02 0.00 -0.40 0.00 0.00 41.96 41.23 2e6p s TYR 44 CO 0.17 -0.22 -0.07 0.21 -1.57 0.00 0.00 175.55 174.07 2e6p s LYS 45 N -1.76 1.19 -1.48 -0.62 2.20 0.12 -0.47 119.74 118.91 2e6p s LYS 45 Ca -0.13 -0.20 -0.12 0.00 -0.36 0.00 0.00 55.97 55.16 2e6p s LYS 45 Cb -0.08 -1.17 0.08 0.00 -1.51 0.00 0.00 37.83 35.16 2e6p s LYS 45 CO -0.02 -0.12 0.76 -0.25 -0.36 0.00 0.00 175.35 175.36 2e6p n ASP 46 N 4.31 -4.39 -0.98 1.43 8.00 -1.12 -0.31 116.55 123.49 2e6p n ASP 46 Ca -0.19 -0.63 -0.09 0.00 0.71 0.00 0.00 54.79 54.59 2e6p n ASP 46 Cb 0.51 -3.56 -0.00 0.00 -0.02 0.00 0.00 41.12 38.05 2e6p n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2e6p n GLY 47 N -1.46 0.02 3.17 0.44 0.00 -1.26 -5.03 105.19 101.06 2e6p n GLY 47 Ca 0.02 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 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 -4.42 0.82 -0.10 1.61 -1.52 0.57 -5.13 119.66 111.48 2e6p s GLN 48 Ca 0.00 -1.16 -0.26 0.00 -1.95 0.00 0.00 55.36 51.99 2e6p s GLN 48 Cb 0.00 -0.45 -0.02 0.00 -0.22 0.00 0.00 33.01 32.31 2e6p s GLN 48 CO 0.00 0.06 0.84 0.21 -0.25 0.00 0.00 175.29 176.15 2e6p s LYS 49 N -2.89 4.39 0.64 2.91 2.20 -1.26 0.11 119.74 125.84 2e6p s LYS 49 Ca 0.05 1.09 -0.13 0.00 -0.36 0.00 0.00 55.97 56.62 2e6p s LYS 49 Cb -0.02 -3.52 -0.02 0.00 -1.51 0.00 0.00 37.83 32.77 2e6p s LYS 49 CO -0.01 -0.17 1.05 0.14 -0.36 0.00 0.00 175.35 176.01 2e6p s VAL 50 N 1.56 3.98 -0.34 4.02 -7.23 -1.20 -4.90 120.40 116.29 2e6p s VAL 50 Ca 0.41 0.78 -0.04 0.00 -1.81 0.00 0.00 61.98 61.33 2e6p s VAL 50 Cb -0.18 -3.42 0.06 0.00 0.56 0.00 0.00 36.38 33.40 2e6p s VAL 50 CO 0.17 -0.71 0.09 -1.61 -0.31 0.00 0.00 175.10 172.73 2e6p s GLU 51 N -4.58 2.39 -0.01 4.82 2.02 -1.26 -5.02 118.70 117.06 2e6p s GLU 51 Ca 0.60 -1.38 -0.30 0.00 0.02 0.00 0.00 54.97 53.91 2e6p s GLU 51 Cb -0.15 -3.38 -0.08 0.00 0.10 0.00 0.00 34.13 30.62 2e6p s GLU 51 CO 0.46 -0.75 2.02 0.39 0.02 0.00 0.00 175.26 177.40 2e6p n GLU 52 N 4.68 2.68 -3.51 1.61 1.02 -1.26 -4.70 120.64 121.16 2e6p n GLU 52 Ca -0.10 0.95 -0.10 0.00 -0.02 0.00 0.00 57.16 57.89 2e6p n GLU 52 Cb 0.43 -3.04 0.00 0.00 -0.02 0.00 0.00 31.44 28.82 2e6p n GLU 52 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2e6p n SER 53 N 8.25 -1.62 -0.29 1.62 3.41 -0.80 -4.96 113.62 119.22 2e6p n SER 53 Ca 0.22 -2.50 0.09 0.00 -0.26 0.00 0.00 58.87 56.42 2e6p n SER 53 Cb 0.41 2.80 0.32 0.00 -0.26 0.00 0.00 64.21 67.48 2e6p n SER 53 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2e6p h GLU 54 N 0.00 0.81 0.00 4.33 4.57 -2.02 0.32 114.58 122.58 2e6p h GLU 54 Ca -0.27 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.87 2e6p h GLU 54 Cb 1.05 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.46 2e6p h GLU 54 CO 0.35 0.53 -0.02 1.28 -1.18 0.00 0.00 179.01 179.97 2e6p n LEU 55 N -4.56 0.09 -3.79 1.64 4.77 -1.26 -4.56 117.00 109.34 2e6p n LEU 55 Ca 0.17 0.49 -0.29 0.00 -0.03 0.00 0.00 56.01 56.34 2e6p n LEU 55 Cb 0.38 -0.47 -0.16 0.00 -2.33 0.00 0.00 43.42 40.84 2e6p n LEU 55 CO 0.30 -0.01 -0.36 -0.22 -1.33 0.00 0.00 177.39 175.77 2e6p s LEU 56 N -3.14 2.10 -0.14 2.23 0.20 0.11 -4.24 118.68 115.80 2e6p s LEU 56 Ca 0.14 -1.33 -0.07 0.00 0.69 0.00 0.00 54.13 53.56 2e6p s LEU 56 Cb 0.18 -0.88 -0.04 0.00 -0.43 0.00 0.00 46.19 45.02 2e6p s LEU 56 CO 0.54 -0.35 0.09 -0.69 -0.29 0.00 0.00 176.35 175.66 2e6p s VAL 57 N 1.62 5.10 -0.27 1.68 1.01 0.05 -1.91 120.40 127.68 2e6p s VAL 57 Ca 0.04 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.08 2e6p s VAL 57 Cb -0.18 -3.25 0.08 0.00 0.00 0.00 0.00 36.38 33.03 2e6p s VAL 57 CO -0.16 0.54 0.03 -0.69 0.00 0.00 0.00 175.10 174.83 2e6p s VAL 58 N -0.40 1.29 -0.16 2.92 1.01 -1.26 0.58 120.40 124.38 2e6p s VAL 58 Ca 0.10 -1.38 -0.10 0.00 0.00 0.00 0.00 61.98 60.61 2e6p s VAL 58 Cb -0.12 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 2e6p s VAL 58 CO 0.02 -0.40 0.16 -0.54 0.00 0.00 0.00 175.10 174.34 2e6p s LYS 59 N 1.45 3.90 -0.06 2.72 -0.14 -0.39 -5.01 119.74 122.23 2e6p s LYS 59 Ca 0.03 -0.12 0.06 0.00 -1.36 0.00 0.00 55.97 54.58 2e6p s LYS 59 Cb -0.18 -3.33 -0.01 0.00 -1.68 0.00 0.00 37.83 32.64 2e6p s LYS 59 CO -0.13 0.49 -0.23 1.41 -0.76 0.00 0.00 175.35 176.12 2e6p s MET 60 N -0.21 2.41 -0.41 1.68 -2.45 -1.26 -1.58 119.30 117.48 2e6p s MET 60 Ca 0.12 -0.84 0.01 0.00 -1.25 0.00 0.00 55.69 53.74 2e6p s MET 60 Cb -0.12 -2.04 0.14 0.00 1.25 0.00 0.00 34.83 34.07 2e6p s MET 60 CO 0.02 0.34 0.25 0.34 1.05 0.00 0.00 175.02 177.01 2e6p s ASP 61 N -0.09 3.17 0.33 1.11 2.15 0.13 -5.00 116.67 118.48 2e6p s ASP 61 Ca -0.05 -2.52 0.00 0.00 0.43 0.00 0.00 52.55 50.41 2e6p s ASP 61 Cb -0.14 -0.72 0.00 0.00 -0.30 0.00 0.00 42.92 41.76 2e6p s ASP 61 CO 0.04 -0.27 0.00 0.61 -0.17 0.00 0.00 175.17 175.38 2e6p n GLY 62 N 3.63 0.38 1.60 2.66 0.00 -1.26 0.28 105.19 112.48 2e6p n GLY 62 Ca 0.13 0.60 -0.14 0.00 0.00 0.00 0.00 46.02 46.61 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 2.19 -3.54 1.61 1.85 -1.26 -1.63 116.66 115.87 2e6p n ARG 63 Ca 0.00 -3.27 -0.23 0.00 -1.00 0.00 0.00 57.85 53.35 2e6p n ARG 63 Cb 0.00 -1.99 -0.15 0.00 -1.05 0.00 0.00 32.46 29.27 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 -3.37 0.15 -0.14 2.89 1.02 0.14 -1.34 119.74 119.09 2e6p s LYS 64 Ca 0.50 -0.06 -0.02 0.00 0.02 0.00 0.00 55.97 56.41 2e6p s LYS 64 Cb 0.43 -1.41 -0.02 0.00 -0.52 0.00 0.00 37.83 36.31 2e6p s LYS 64 CO 0.02 -0.75 -0.08 -1.01 -0.92 0.00 0.00 175.35 172.61 2e6p s HIS 65 N 2.22 2.93 -0.00 3.18 3.76 -0.77 0.21 115.29 126.82 2e6p s HIS 65 Ca 0.05 -0.43 -0.01 0.00 -0.15 0.00 0.00 55.06 54.53 2e6p s HIS 65 Cb -0.16 -1.90 -0.00 0.00 1.11 0.00 0.00 32.58 31.63 2e6p s HIS 65 CO -0.17 -0.09 0.02 -0.98 -0.85 0.00 0.00 174.74 172.67 2e6p s ARG 66 N 0.31 0.11 -0.21 1.40 1.70 -0.62 -0.90 118.95 120.74 2e6p s ARG 66 Ca -0.06 -0.11 -0.06 0.00 -0.47 0.00 0.00 55.73 55.03 2e6p s ARG 66 Cb -0.15 0.04 -0.03 0.00 -0.57 0.00 0.00 34.95 34.25 2e6p s ARG 66 CO 0.04 -0.02 0.02 -1.17 -1.08 0.00 0.00 175.30 173.10 2e6p s LEU 67 N -0.33 3.37 0.04 -1.89 0.20 -1.26 -1.26 118.68 117.55 2e6p s LEU 67 Ca -0.04 -0.17 0.01 0.00 0.69 0.00 0.00 54.13 54.62 2e6p s LEU 67 Cb -0.02 -1.87 -0.04 0.00 -0.43 0.00 0.00 46.19 43.83 2e6p s LEU 67 CO -0.00 0.05 0.12 -0.63 -0.29 0.00 0.00 176.35 175.61 2e6p s ILE 68 N 1.07 4.89 -0.06 6.68 1.01 0.20 -1.86 121.20 133.12 2e6p s ILE 68 Ca 0.03 -0.51 -0.02 0.00 0.00 0.00 0.00 60.65 60.15 2e6p s ILE 68 Cb -0.14 -3.32 0.03 0.00 0.01 0.00 0.00 42.46 39.03 2e6p s ILE 68 CO 0.02 0.21 0.02 -0.76 0.00 0.00 0.00 174.94 174.44 2e6p s LEU 69 N -2.19 0.44 0.21 2.97 1.43 -0.28 -0.77 118.68 120.48 2e6p s LEU 69 Ca 0.29 -0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 53.32 2e6p s LEU 69 Cb -0.12 -0.33 0.19 0.00 0.03 0.00 0.00 46.19 45.95 2e6p s LEU 69 CO 0.21 -0.22 1.57 1.55 0.23 0.00 0.00 176.35 179.69 2e6p h PRO 70 N 8.37 0.58 -3.81 1.29 0.13 -1.83 -2.69 132.00 134.03 2e6p h PRO 70 Ca -0.17 -0.30 -0.51 0.00 -0.87 0.00 0.00 66.00 64.15 2e6p h PRO 70 Cb 1.12 0.01 -0.39 0.00 0.13 0.00 0.00 31.00 31.88 2e6p h PRO 70 CO 0.22 0.90 -0.78 -2.00 -0.23 0.00 0.00 178.00 176.11 2e6p s GLU 71 N -4.21 0.93 -0.85 0.86 2.12 -1.24 -4.42 118.70 111.89 2e6p s GLU 71 Ca -0.08 -0.31 -0.23 0.00 0.36 0.00 0.00 54.97 54.71 2e6p s GLU 71 Cb 0.12 -1.76 0.06 0.00 0.26 0.00 0.00 34.13 32.81 2e6p s GLU 71 CO 0.83 -0.47 1.25 0.00 -0.54 0.00 0.00 175.26 176.32 2e6p s ALA 72 N 1.81 2.91 0.27 6.30 0.00 -0.20 -4.85 121.76 127.99 2e6p s ALA 72 Ca 0.01 -1.99 -0.15 0.00 0.00 0.00 0.00 51.96 49.83 2e6p s ALA 72 Cb -0.15 -4.23 -0.08 0.00 0.00 0.00 0.00 23.12 18.66 2e6p s ALA 72 CO -0.07 -3.24 0.69 0.15 0.00 0.00 0.00 175.76 173.29 2e6p s LYS 73 N 4.64 4.04 0.42 0.00 1.02 -1.26 -2.33 119.74 126.26 2e6p s LYS 73 Ca 0.36 0.65 0.27 0.00 0.02 0.00 0.00 55.97 57.26 2e6p s LYS 73 Cb -0.07 -2.63 1.37 0.00 -0.52 0.00 0.00 37.83 35.99 2e6p s LYS 73 CO 0.02 0.27 1.62 0.28 -0.92 0.00 0.00 175.35 176.62 2e6p h VAL 74 N 2.25 0.13 -0.68 3.17 2.07 -1.95 1.09 116.25 122.33 2e6p h VAL 74 Ca -0.48 -0.04 -0.07 0.00 0.82 0.00 0.00 66.70 66.94 2e6p h VAL 74 Cb 1.18 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 2e6p h VAL 74 CO 0.66 0.02 0.16 1.56 0.02 0.00 0.00 177.57 179.99 2e6p h GLN 75 N 0.11 1.09 -1.04 1.57 1.08 -1.92 -2.56 115.11 113.44 2e6p h GLN 75 Ca 0.81 -0.27 0.29 0.00 -1.45 0.00 0.00 58.65 58.04 2e6p h GLN 75 Cb 2.41 -0.14 -0.06 0.00 -0.05 0.00 0.00 27.48 29.64 2e6p h GLN 75 CO -0.49 0.97 0.73 0.22 -0.95 0.00 0.00 178.83 179.31 2e6p h ASP 76 N 1.02 0.13 -2.13 1.46 3.58 0.87 -3.41 116.42 117.94 2e6p h ASP 76 Ca 0.21 0.02 -0.60 0.00 0.42 0.00 0.00 57.03 57.08 2e6p h ASP 76 Cb 0.37 0.00 0.04 0.00 1.72 0.00 0.00 39.33 41.46 2e6p h ASP 76 CO 0.00 0.03 0.95 -1.54 -2.88 0.00 0.00 179.24 175.81 2e6p n SER 77 N -4.33 3.25 0.00 2.28 3.41 -0.97 -4.85 113.62 112.41 2e6p n SER 77 Ca 0.23 1.03 0.00 0.00 -0.26 0.00 0.00 58.87 59.86 2e6p n SER 77 Cb 1.03 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 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 3.93 0.12 3.72 5.00 0.00 -0.87 -4.94 105.19 112.14 2e6p n GLY 78 Ca 0.20 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 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 4.60 -0.18 1.61 2.12 -1.26 -2.65 118.70 120.93 2e6p s GLU 79 Ca 0.00 1.38 -0.05 0.00 0.36 0.00 0.00 54.97 56.66 2e6p s GLU 79 Cb 0.00 -3.43 -0.03 0.00 0.26 0.00 0.00 34.13 30.93 2e6p s GLU 79 CO 0.00 0.06 0.01 -0.06 -0.54 0.00 0.00 175.26 174.73 2e6p s PHE 80 N 0.60 3.10 -0.06 5.30 0.40 -0.42 -2.78 117.98 124.11 2e6p s PHE 80 Ca 0.49 -0.22 0.04 0.00 -0.60 0.00 0.00 56.93 56.64 2e6p s PHE 80 Cb -0.22 -2.04 -0.02 0.00 0.51 0.00 0.00 43.02 41.26 2e6p s PHE 80 CO 0.28 -0.03 -0.19 -2.00 0.70 0.00 0.00 175.22 173.98 2e6p s GLU 81 N 0.56 2.63 -0.81 0.44 2.12 0.38 -1.51 118.70 122.52 2e6p s GLU 81 Ca -0.00 -0.79 0.02 0.00 0.36 0.00 0.00 54.97 54.56 2e6p s GLU 81 Cb -0.14 -2.32 0.21 0.00 0.26 0.00 0.00 34.13 32.15 2e6p s GLU 81 CO 0.02 0.46 0.71 0.00 -0.54 0.00 0.00 175.26 175.92 2e6p s ARG 83 N -1.64 4.24 0.00 0.00 0.52 -0.12 -4.10 118.95 117.85 2e6p s ARG 83 Ca 0.29 2.26 0.00 0.00 -0.52 0.00 0.00 55.73 57.75 2e6p s ARG 83 Cb -0.02 -3.29 0.00 0.00 0.52 0.00 0.00 34.95 32.15 2e6p s ARG 83 CO -0.12 -0.59 0.00 -2.37 0.02 0.00 0.00 175.30 172.25 2e6p n THR 84 N 4.16 0.00 0.02 0.02 5.66 -1.17 0.22 114.28 123.19 2e6p n THR 84 Ca 0.14 0.05 -0.00 0.00 -3.05 0.00 0.00 64.05 61.19 2e6p n THR 84 Cb 0.40 -0.88 -0.00 0.00 -1.55 0.00 0.00 70.33 68.30 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 -1.90 0.00 0.00 1.09 4.07 -1.26 -4.56 120.64 118.09 2e6p n GLU 85 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2e6p n GLU 85 Cb 0.00 -0.27 0.00 0.00 -0.06 0.00 0.00 31.44 31.11 2e6p n GLU 85 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2e6p n GLY 86 N 3.47 0.00 3.78 8.31 0.00 -1.26 -5.10 105.19 114.40 2e6p n GLY 86 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.10 2.06 0.17 1.61 -7.23 -1.26 -5.15 120.40 109.49 2e6p s VAL 87 Ca 0.00 -1.67 -0.18 0.00 -1.81 0.00 0.00 61.98 58.32 2e6p s VAL 87 Cb 0.00 -2.72 0.04 0.00 0.56 0.00 0.00 36.38 34.26 2e6p s VAL 87 CO 0.00 0.00 0.52 -0.44 -0.31 0.00 0.00 175.10 174.87 2e6p s SER 88 N -3.99 -0.32 0.42 4.85 0.01 -1.26 -3.05 113.70 110.35 2e6p s SER 88 Ca 0.36 -0.33 0.08 0.00 1.31 0.00 0.00 55.95 57.37 2e6p s SER 88 Cb 0.02 0.56 -0.00 0.00 0.21 0.00 0.00 66.02 66.81 2e6p s SER 88 CO 0.20 -0.99 0.50 0.00 0.41 0.00 0.00 173.24 173.36 2e6p s ALA 89 N -3.83 4.35 -0.13 1.44 0.00 -1.26 -4.90 121.76 117.44 2e6p s ALA 89 Ca 0.06 -1.76 -0.02 0.00 0.00 0.00 0.00 51.96 50.23 2e6p s ALA 89 Cb -0.00 -1.38 0.04 0.00 0.00 0.00 0.00 23.12 21.78 2e6p s ALA 89 CO -0.07 -0.27 0.02 -0.06 0.00 0.00 0.00 175.76 175.38 2e6p s PHE 90 N -2.41 0.76 -0.26 0.00 0.08 -1.25 -3.66 117.98 111.24 2e6p s PHE 90 Ca 0.52 -0.44 -0.01 0.00 0.12 0.00 0.00 56.93 57.12 2e6p s PHE 90 Cb -0.07 -0.88 0.03 0.00 -0.57 0.00 0.00 43.02 41.54 2e6p s PHE 90 CO 0.31 -0.45 -0.06 -0.06 -0.10 0.00 0.00 175.22 174.86 2e6p s PHE 91 N 1.94 3.11 -0.29 0.36 0.40 -0.57 -1.99 117.98 120.95 2e6p s PHE 91 Ca 0.02 -1.69 -0.26 0.00 -0.60 0.00 0.00 56.93 54.40 2e6p s PHE 91 Cb -0.14 -2.05 0.01 0.00 0.51 0.00 0.00 43.02 41.34 2e6p s PHE 91 CO -0.07 -0.76 0.92 0.20 0.70 0.00 0.00 175.22 176.21 2e6p s GLY 92 N 1.29 1.66 0.07 4.36 0.00 -0.65 -1.31 107.32 112.74 2e6p s GLY 92 Ca -0.02 -0.20 0.10 0.00 0.00 0.00 0.00 44.72 44.60 2e6p s GLY 92 CO -0.04 1.98 -0.26 0.14 0.00 0.00 0.00 173.10 174.92 2e6p s VAL 93 N 3.20 2.12 -0.19 1.40 1.01 -1.09 0.05 120.40 126.90 2e6p s VAL 93 Ca 0.38 -1.47 -0.04 0.00 0.00 0.00 0.00 61.98 60.85 2e6p s VAL 93 Cb -0.14 -1.83 0.08 0.00 0.00 0.00 0.00 36.38 34.49 2e6p s VAL 93 CO 0.12 0.27 0.15 -0.89 0.00 0.00 0.00 175.10 174.75 2e6p s THR 94 N -0.88 -0.19 -0.67 3.92 2.01 -0.97 -2.06 115.64 116.80 2e6p s THR 94 Ca 0.12 -0.17 -0.17 0.00 0.31 0.00 0.00 61.69 61.77 2e6p s THR 94 Cb -0.10 -0.64 0.14 0.00 0.01 0.00 0.00 72.50 71.91 2e6p s THR 94 CO 0.03 -0.27 0.73 -0.69 -0.69 0.00 0.00 174.62 173.73 2e6p s VAL 95 N 2.22 5.05 -0.24 3.82 1.01 -1.25 -0.31 120.40 130.70 2e6p s VAL 95 Ca 0.04 -1.47 -0.15 0.00 0.00 0.00 0.00 61.98 60.40 2e6p s VAL 95 Cb -0.16 -4.49 -0.04 0.00 0.00 0.00 0.00 36.38 31.69 2e6p s VAL 95 CO -0.12 -1.10 0.37 -1.10 0.00 0.00 0.00 175.10 173.15 2e6p s GLN 96 N 1.94 4.08 0.26 2.72 -0.21 -0.33 -4.57 119.66 123.56 2e6p s GLN 96 Ca 0.14 0.09 -0.30 0.00 0.02 0.00 0.00 55.36 55.30 2e6p s GLN 96 Cb -0.20 -3.60 -0.11 0.00 1.00 0.00 0.00 33.01 30.10 2e6p s GLN 96 CO 0.01 -0.16 1.51 0.16 -2.12 0.00 0.00 175.29 174.68 2e6p s ASP 97 N 1.37 6.53 0.69 5.90 -4.77 -1.26 -3.08 116.67 122.04 2e6p s ASP 97 Ca 0.16 2.78 -0.14 0.00 -3.30 0.00 0.00 52.55 52.06 2e6p s ASP 97 Cb -0.15 -2.63 0.01 0.00 -1.09 0.00 0.00 42.92 39.07 2e6p s ASP 97 CO 0.09 -0.80 1.10 -2.16 0.70 0.00 0.00 175.17 174.10 2e6p s PRO 98 N -0.35 2.66 0.21 2.11 0.04 -1.26 -4.93 135.00 133.49 2e6p s PRO 98 Ca 0.61 1.33 -0.12 0.00 0.04 0.00 0.00 61.00 62.86 2e6p s PRO 98 Cb -0.44 -1.94 0.27 0.00 0.04 0.00 0.00 34.50 32.43 2e6p s PRO 98 CO 0.45 -1.35 1.63 0.77 0.04 0.00 0.00 177.00 178.54 2e6p h SER 99 N -0.27 -0.50 -4.27 6.66 0.02 -2.04 -3.41 113.55 109.74 2e6p h SER 99 Ca -0.46 0.18 -0.61 0.00 -0.84 0.00 0.00 61.79 60.07 2e6p h SER 99 Cb 1.24 0.36 -0.26 0.00 0.14 0.00 0.00 62.40 63.89 2e6p h SER 99 CO 0.53 -0.19 -0.85 -0.83 -1.14 0.00 0.00 176.83 174.36 2e6p s GLY 100 N -3.49 1.20 0.05 -3.77 0.00 -1.26 -5.11 107.32 94.93 2e6p s GLY 100 Ca -0.14 -1.12 -0.31 0.00 0.00 0.00 0.00 44.72 43.15 2e6p s GLY 100 CO 0.74 -1.04 1.41 2.56 0.00 0.00 0.00 173.10 176.76 2e6p s PRO 101 N -1.25 4.30 -0.11 2.90 0.04 -1.26 -5.02 135.00 134.60 2e6p s PRO 101 Ca 0.08 2.02 0.02 0.00 0.04 0.00 0.00 61.00 63.16 2e6p s PRO 101 Cb -0.09 -3.45 -0.01 0.00 0.04 0.00 0.00 34.50 30.98 2e6p s PRO 101 CO 0.02 -0.53 -0.17 0.45 0.04 0.00 0.00 177.00 176.82 2e6p s SER 102 N 1.62 3.73 0.00 6.66 0.15 -1.26 -4.97 113.70 119.62 2e6p s SER 102 Ca 0.65 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.91 2e6p s SER 102 Cb -0.34 -1.42 0.00 0.00 -1.71 0.00 0.00 66.02 62.55 2e6p s SER 102 CO 0.28 0.19 0.00 -0.24 1.20 0.00 0.00 173.24 174.67 2e6p n SER 103 N 3.35 0.06 -0.46 5.45 2.88 -1.26 -5.06 113.62 118.57 2e6p n SER 103 Ca -0.18 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.42 2e6p n SER 103 Cb 0.53 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.03 2e6p n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42