#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 6.59 -0.08 1.61 0.15 -1.26 -4.67 113.70 116.05 2e6p s SER 2 Ca 0.00 -1.81 -0.05 0.00 0.70 0.00 0.00 55.95 54.79 2e6p s SER 2 Cb 0.00 -2.49 -0.04 0.00 -1.71 0.00 0.00 66.02 61.79 2e6p s SER 2 CO 0.00 -1.27 -0.12 -1.20 1.20 0.00 0.00 173.24 171.85 2e6p n SER 3 N 7.69 0.79 -1.84 5.45 7.64 -1.26 -5.11 113.62 126.97 2e6p n SER 3 Ca 0.29 0.13 -0.01 0.00 1.01 0.00 0.00 58.87 60.29 2e6p n SER 3 Cb 0.50 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 2e6p n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e6p n GLY 4 N 2.48 -1.86 3.71 0.23 0.00 -1.26 -4.96 105.19 103.53 2e6p n GLY 4 Ca -0.16 0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2e6p n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e6p s SER 5 N -1.01 6.73 -0.27 1.61 0.01 -1.26 -5.00 113.70 114.52 2e6p s SER 5 Ca 0.04 2.40 -0.02 0.00 1.31 0.00 0.00 55.95 59.68 2e6p s SER 5 Cb -0.01 -2.58 0.09 0.00 0.21 0.00 0.00 66.02 63.73 2e6p s SER 5 CO 0.21 -0.74 0.09 -0.94 0.41 0.00 0.00 173.24 172.27 2e6p s SER 6 N 1.37 3.57 0.00 2.44 1.04 -1.26 -4.96 113.70 115.90 2e6p s SER 6 Ca 0.67 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.79 2e6p s SER 6 Cb -0.39 -0.65 0.00 0.00 0.10 0.00 0.00 66.02 65.09 2e6p s SER 6 CO 0.30 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.74 2e6p n GLY 7 N 5.02 -0.96 0.08 7.32 0.00 -1.26 -5.02 105.19 110.37 2e6p n GLY 7 Ca -0.05 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 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 0.13 -4.99 1.61 0.13 -2.01 -3.45 132.00 123.42 2e6p h PRO 8 Ca 0.00 -0.07 -0.40 0.00 -0.87 0.00 0.00 66.00 64.66 2e6p h PRO 8 Cb 0.00 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 30.87 2e6p h PRO 8 CO 0.00 0.58 -0.78 0.54 -0.23 0.00 0.00 178.00 178.11 2e6p s VAL 9 N -4.27 0.88 -0.03 1.56 0.11 -1.26 -4.95 120.40 112.44 2e6p s VAL 9 Ca -0.15 -0.75 0.01 0.00 -2.93 0.00 0.00 61.98 58.16 2e6p s VAL 9 Cb 0.03 -0.79 0.02 0.00 -1.53 0.00 0.00 36.38 34.10 2e6p s VAL 9 CO 0.70 0.04 -0.04 -1.38 -3.33 0.00 0.00 175.10 171.09 2e6p s HIS 10 N -0.65 0.64 0.56 1.54 -3.43 -1.26 -4.65 115.29 108.04 2e6p s HIS 10 Ca 0.01 -0.15 -0.20 0.00 -0.80 0.00 0.00 55.06 53.92 2e6p s HIS 10 Cb -0.06 -0.55 -0.05 0.00 -1.43 0.00 0.00 32.58 30.48 2e6p s HIS 10 CO 0.00 -0.14 1.18 0.42 -2.00 0.00 0.00 174.74 174.21 2e6p s ILE 11 N 0.67 2.84 -0.07 -5.38 1.01 -1.26 -2.94 121.20 116.06 2e6p s ILE 11 Ca -0.08 0.54 0.03 0.00 0.00 0.00 0.00 60.65 61.13 2e6p s ILE 11 Cb -0.12 -3.23 -0.06 0.00 0.01 0.00 0.00 42.46 39.06 2e6p s ILE 11 CO -0.00 -0.09 -0.03 0.18 0.00 0.00 0.00 174.94 175.00 2e6p n LEU 12 N -1.32 1.57 -3.69 2.97 4.77 -1.22 -4.95 117.00 115.12 2e6p n LEU 12 Ca 0.12 -0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 55.97 2e6p n LEU 12 Cb 0.50 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.41 2e6p n LEU 12 CO 0.44 0.40 0.10 -0.44 -1.33 0.00 0.00 177.39 176.57 2e6p s SER 13 N -4.26 -0.55 1.22 -1.43 0.01 -1.26 -4.26 113.70 103.17 2e6p s SER 13 Ca -0.07 0.96 -0.18 0.00 1.31 0.00 0.00 55.95 57.97 2e6p s SER 13 Cb 0.02 0.87 0.27 0.00 0.21 0.00 0.00 66.02 67.39 2e6p s SER 13 CO 0.21 -0.19 0.95 -0.81 0.41 0.00 0.00 173.24 173.81 2e6p n PRO 14 N 3.93 -2.90 -0.08 12.44 -0.04 -1.26 0.09 135.00 147.18 2e6p n PRO 14 Ca -0.21 -1.52 -0.16 0.00 -0.04 0.00 0.00 63.50 61.57 2e6p n PRO 14 Cb 0.56 -1.43 -0.13 0.00 -0.04 0.00 0.00 33.50 32.45 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 -4.43 0.68 -4.16 0.54 6.02 -1.26 -4.96 117.38 109.82 2e6p n GLN 15 Ca 0.13 0.16 -0.14 0.00 -0.01 0.00 0.00 57.00 57.14 2e6p n GLN 15 Cb 0.51 -1.59 -0.07 0.00 1.02 0.00 0.00 30.24 30.11 2e6p n GLN 15 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 2e6p s ASP 16 N -6.39 0.72 0.10 1.08 -4.77 -1.26 -5.09 116.67 101.06 2e6p s ASP 16 Ca -0.24 -1.44 -0.35 0.00 -3.30 0.00 0.00 52.55 47.22 2e6p s ASP 16 Cb 0.08 0.54 -0.18 0.00 -1.09 0.00 0.00 42.92 42.27 2e6p s ASP 16 CO 0.71 -1.08 1.02 1.17 0.70 0.00 0.00 175.17 177.69 2e6p n LYS 17 N -0.46 0.46 -4.02 2.11 3.00 -1.26 -4.88 118.16 113.10 2e6p n LYS 17 Ca 0.02 0.16 -0.26 0.00 -0.00 0.00 0.00 58.31 58.24 2e6p n LYS 17 Cb 0.63 -1.58 -0.04 0.00 0.00 0.00 0.00 35.03 34.04 2e6p n LYS 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 2e6p s VAL 18 N -0.20 1.91 -0.03 3.15 -7.23 -1.15 -5.02 120.40 111.83 2e6p s VAL 18 Ca 0.80 -1.59 -0.01 0.00 -1.81 0.00 0.00 61.98 59.37 2e6p s VAL 18 Cb -1.05 -2.50 0.03 0.00 0.56 0.00 0.00 36.38 33.42 2e6p s VAL 18 CO 0.54 0.00 0.05 -0.55 -0.31 0.00 0.00 175.10 174.83 2e6p s SER 19 N -4.10 0.26 0.02 4.85 0.15 -1.26 -2.49 113.70 111.13 2e6p s SER 19 Ca 0.34 0.08 -0.02 0.00 0.70 0.00 0.00 55.95 57.05 2e6p s SER 19 Cb -0.00 -0.05 -0.02 0.00 -1.71 0.00 0.00 66.02 64.24 2e6p s SER 19 CO 0.20 -0.16 0.01 -0.76 1.20 0.00 0.00 173.24 173.74 2e6p s LEU 20 N 1.32 2.10 -0.01 3.45 1.43 0.92 -4.96 118.68 122.92 2e6p s LEU 20 Ca -0.06 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.54 2e6p s LEU 20 Cb -0.13 0.27 0.00 0.00 0.03 0.00 0.00 46.19 46.36 2e6p s LEU 20 CO -0.03 -0.37 -0.02 -0.89 0.23 0.00 0.00 176.35 175.27 2e6p s THR 21 N -1.83 0.21 0.22 5.49 2.01 -1.26 -2.35 115.64 118.12 2e6p s THR 21 Ca -0.12 -0.09 -0.01 0.00 0.31 0.00 0.00 61.69 61.77 2e6p s THR 21 Cb -0.07 -0.19 -0.04 0.00 0.01 0.00 0.00 72.50 72.21 2e6p s THR 21 CO -0.02 0.07 0.18 -0.36 -0.69 0.00 0.00 174.62 173.80 2e6p s PHE 22 N 0.07 1.13 0.13 4.92 0.40 0.40 -4.94 117.98 120.09 2e6p s PHE 22 Ca -0.00 -1.34 0.04 0.00 -0.60 0.00 0.00 56.93 55.03 2e6p s PHE 22 Cb -0.03 -0.50 -0.04 0.00 0.51 0.00 0.00 43.02 42.97 2e6p s PHE 22 CO -0.00 -0.69 0.10 0.99 0.70 0.00 0.00 175.22 176.31 2e6p s THR 23 N -4.08 4.43 0.59 0.64 2.01 -1.26 -0.91 115.64 117.07 2e6p s THR 23 Ca 0.38 -0.99 -0.18 0.00 0.31 0.00 0.00 61.69 61.21 2e6p s THR 23 Cb 0.06 -3.21 -0.06 0.00 0.01 0.00 0.00 72.50 69.30 2e6p s THR 23 CO 0.13 -0.02 0.74 0.41 -0.69 0.00 0.00 174.62 175.19 2e6p n THR 24 N -0.01 3.01 -3.57 -0.82 -1.04 -0.74 -2.96 114.28 108.15 2e6p n THR 24 Ca -0.09 -0.50 -0.20 0.00 -2.04 0.00 0.00 64.05 61.23 2e6p n THR 24 Cb 0.53 -0.91 0.05 0.00 -1.82 0.00 0.00 70.33 68.19 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 -0.19 -2.25 -4.10 8.00 3.41 -0.97 -4.90 113.62 112.62 2e6p n SER 25 Ca 0.13 -0.76 -0.25 0.00 -0.26 0.00 0.00 58.87 57.73 2e6p n SER 25 Cb 0.48 -4.45 -0.08 0.00 -0.26 0.00 0.00 64.21 59.89 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 -5.63 1.90 -0.38 4.33 0.41 -1.15 -4.85 118.70 113.32 2e6p s GLU 26 Ca 0.08 -2.15 -0.08 0.00 -0.41 0.00 0.00 54.97 52.41 2e6p s GLU 26 Cb -0.02 -0.57 0.06 0.00 -1.78 0.00 0.00 34.13 31.82 2e6p s GLU 26 CO 0.78 -0.47 0.20 0.50 -0.49 0.00 0.00 175.26 175.78 2e6p s ARG 27 N -3.71 2.61 -0.18 1.61 3.52 -1.26 -2.16 118.95 119.38 2e6p s ARG 27 Ca 0.25 -1.32 -0.08 0.00 -0.13 0.00 0.00 55.73 54.45 2e6p s ARG 27 Cb 0.03 -3.65 -0.04 0.00 -1.56 0.00 0.00 34.95 29.72 2e6p s ARG 27 CO 0.15 -0.82 0.09 0.08 -0.81 0.00 0.00 175.30 173.99 2e6p s VAL 28 N 1.42 5.08 -0.09 7.11 1.01 -1.00 -4.94 120.40 128.98 2e6p s VAL 28 Ca 0.01 0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.04 2e6p s VAL 28 Cb -0.21 -3.29 0.04 0.00 0.00 0.00 0.00 36.38 32.91 2e6p s VAL 28 CO 0.03 0.47 0.02 -0.69 0.00 0.00 0.00 175.10 174.93 2e6p s VAL 29 N 0.22 0.31 0.45 2.92 1.01 -1.26 -0.33 120.40 123.71 2e6p s VAL 29 Ca 0.06 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.03 2e6p s VAL 29 Cb -0.12 -0.57 0.10 0.00 0.00 0.00 0.00 36.38 35.79 2e6p s VAL 29 CO -0.00 0.14 0.62 0.18 0.00 0.00 0.00 175.10 176.03 2e6p n LEU 30 N 5.16 0.00 -3.65 3.92 4.77 0.62 -4.94 117.00 122.88 2e6p n LEU 30 Ca -0.07 -0.98 -0.10 0.00 -0.03 0.00 0.00 56.01 54.82 2e6p n LEU 30 Cb 0.49 -0.44 -0.08 0.00 -2.33 0.00 0.00 43.42 41.07 2e6p n LEU 30 CO 0.10 -0.87 0.33 -0.89 -1.33 0.00 0.00 177.39 174.73 2e6p s THR 31 N -2.00 -0.00 -0.10 -5.08 2.01 -1.26 -4.14 115.64 105.07 2e6p s THR 31 Ca 0.38 0.01 -0.13 0.00 0.31 0.00 0.00 61.69 62.25 2e6p s THR 31 Cb -0.02 -0.93 0.03 0.00 0.01 0.00 0.00 72.50 71.60 2e6p s THR 31 CO 0.26 0.00 0.35 0.00 -0.69 0.00 0.00 174.62 174.54 2e6p s GLU 33 N -0.28 1.70 0.24 0.00 2.12 0.11 -0.57 118.70 122.02 2e6p s GLU 33 Ca -0.04 -1.69 0.01 0.00 0.36 0.00 0.00 54.97 53.60 2e6p s GLU 33 Cb -0.03 -1.82 -0.04 0.00 0.26 0.00 0.00 34.13 32.50 2e6p s GLU 33 CO 0.02 0.35 0.14 -0.51 -0.54 0.00 0.00 175.26 174.72 2e6p s LEU 34 N -3.35 1.37 -0.24 2.70 1.43 -0.98 -3.44 118.68 116.18 2e6p s LEU 34 Ca 0.28 -1.45 0.13 0.00 -1.03 0.00 0.00 54.13 52.07 2e6p s LEU 34 Cb -0.06 0.30 0.56 0.00 0.03 0.00 0.00 46.19 47.03 2e6p s LEU 34 CO 0.14 -0.85 1.51 -0.24 0.23 0.00 0.00 176.35 177.15 2e6p n SER 35 N -0.52 3.62 -3.44 2.29 2.88 -1.15 -4.77 113.62 112.53 2e6p n SER 35 Ca 0.02 -3.30 -0.13 0.00 -1.33 0.00 0.00 58.87 54.13 2e6p n SER 35 Cb 0.66 -0.61 -0.10 0.00 -0.75 0.00 0.00 64.21 63.40 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 -3.00 0.27 0.46 -1.46 0.52 -1.26 -4.84 118.95 109.64 2e6p s ARG 36 Ca 0.46 0.44 -0.23 0.00 -0.52 0.00 0.00 55.73 55.88 2e6p s ARG 36 Cb 0.38 -0.69 -0.07 0.00 0.52 0.00 0.00 34.95 35.09 2e6p s ARG 36 CO 0.07 -0.61 1.16 0.08 0.02 0.00 0.00 175.30 176.02 2e6p s VAL 37 N 2.46 3.15 -1.30 3.52 1.01 -1.26 -3.32 120.40 124.64 2e6p s VAL 37 Ca 0.09 0.85 -0.08 0.00 0.00 0.00 0.00 61.98 62.84 2e6p s VAL 37 Cb -0.15 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 32.81 2e6p s VAL 37 CO -0.14 -0.02 1.12 -0.67 0.00 0.00 0.00 175.10 175.39 2e6p n ASP 38 N -0.50 -6.20 -4.48 3.32 2.03 -1.26 -4.87 116.55 104.59 2e6p n ASP 38 Ca 0.07 -0.51 -0.35 0.00 0.52 0.00 0.00 54.79 54.52 2e6p n ASP 38 Cb 0.48 -4.83 -0.12 0.00 -0.72 0.00 0.00 41.12 35.93 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 -3.30 3.09 0.98 -0.67 5.36 -1.21 -5.10 117.98 117.13 2e6p s PHE 39 Ca 0.55 -0.35 -0.12 0.00 -0.96 0.00 0.00 56.93 56.06 2e6p s PHE 39 Cb -0.24 -2.13 0.18 0.00 -0.34 0.00 0.00 43.02 40.48 2e6p s PHE 39 CO 0.69 -0.20 1.09 -1.25 -1.46 0.00 0.00 175.22 174.09 2e6p s PRO 40 N 1.07 0.59 0.09 10.12 0.04 -1.26 -4.99 135.00 140.67 2e6p s PRO 40 Ca 0.03 0.58 -0.21 0.00 0.04 0.00 0.00 61.00 61.45 2e6p s PRO 40 Cb -0.14 -1.75 0.07 0.00 0.04 0.00 0.00 34.50 32.72 2e6p s PRO 40 CO 0.02 -2.64 0.96 0.00 0.04 0.00 0.00 177.00 175.39 2e6p n ALA 41 N -4.12 -2.60 -3.12 8.56 0.00 -1.26 -4.65 120.51 113.31 2e6p n ALA 41 Ca 0.06 -0.81 -0.13 0.00 0.00 0.00 0.00 53.44 52.56 2e6p n ALA 41 Cb 0.57 0.36 -0.12 0.00 0.00 0.00 0.00 19.45 20.26 2e6p n ALA 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2e6p s THR 42 N -2.10 0.01 -0.24 0.00 2.01 0.53 -4.96 115.64 110.89 2e6p s THR 42 Ca 0.22 -0.05 -0.12 0.00 0.31 0.00 0.00 61.69 62.05 2e6p s THR 42 Cb -0.02 -0.35 -0.05 0.00 0.01 0.00 0.00 72.50 72.10 2e6p s THR 42 CO 0.03 -0.02 0.25 0.26 -0.69 0.00 0.00 174.62 174.44 2e6p s TRP 43 N 0.01 3.31 0.02 4.92 0.52 -1.26 -0.72 118.94 125.74 2e6p s TRP 43 Ca -0.01 0.33 0.06 0.00 0.02 0.00 0.00 56.10 56.50 2e6p s TRP 43 Cb -0.02 -2.38 -0.03 0.00 -1.15 0.00 0.00 33.47 29.89 2e6p s TRP 43 CO 0.00 -0.02 -0.16 0.71 0.02 0.00 0.00 176.95 177.51 2e6p s TYR 44 N 1.33 2.62 -0.06 -1.98 1.51 0.36 -1.49 117.35 119.64 2e6p s TYR 44 Ca 0.11 -0.22 0.02 0.00 -1.01 0.00 0.00 57.07 55.97 2e6p s TYR 44 Cb -0.14 -1.52 0.02 0.00 -0.11 0.00 0.00 41.96 40.21 2e6p s TYR 44 CO 0.07 0.24 -0.09 0.21 -1.11 0.00 0.00 175.55 174.87 2e6p s LYS 45 N -1.26 1.35 -1.67 -0.62 2.20 -0.11 -0.22 119.74 119.41 2e6p s LYS 45 Ca 0.14 -0.28 -0.17 0.00 -0.36 0.00 0.00 55.97 55.30 2e6p s LYS 45 Cb -0.11 -1.19 0.14 0.00 -1.51 0.00 0.00 37.83 35.16 2e6p s LYS 45 CO 0.04 -0.03 0.80 -0.25 -0.36 0.00 0.00 175.35 175.55 2e6p n ASP 46 N 3.97 -3.36 -2.03 1.43 8.00 -1.13 0.08 116.55 123.51 2e6p n ASP 46 Ca -0.23 -0.98 -0.14 0.00 0.71 0.00 0.00 54.79 54.15 2e6p n ASP 46 Cb 0.51 -2.92 0.02 0.00 -0.02 0.00 0.00 41.12 38.72 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 -1.47 -0.08 3.05 0.44 0.00 -1.26 -5.01 105.19 100.86 2e6p n GLY 47 Ca 0.05 -0.20 -0.11 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 -5.31 0.26 0.15 1.61 -0.21 0.11 -5.13 119.66 111.15 2e6p s GLN 48 Ca 0.21 0.74 -0.34 0.00 0.02 0.00 0.00 55.36 55.99 2e6p s GLN 48 Cb -0.09 -0.13 -0.15 0.00 1.00 0.00 0.00 33.01 33.64 2e6p s GLN 48 CO 0.25 -0.40 1.41 1.17 -2.12 0.00 0.00 175.29 175.61 2e6p n LYS 49 N 5.36 1.66 -1.82 2.91 4.81 -1.26 -0.93 118.16 128.90 2e6p n LYS 49 Ca -0.06 0.60 -0.29 0.00 -0.87 0.00 0.00 58.31 57.68 2e6p n LYS 49 Cb 0.50 -2.27 0.09 0.00 0.02 0.00 0.00 35.03 33.37 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 0.43 2.25 -0.30 3.15 -7.23 -0.56 -4.85 120.40 113.29 2e6p s VAL 50 Ca 0.78 0.08 -0.01 0.00 -1.81 0.00 0.00 61.98 61.02 2e6p s VAL 50 Cb -0.79 -3.02 0.10 0.00 0.56 0.00 0.00 36.38 33.23 2e6p s VAL 50 CO 0.45 -0.10 0.09 -1.61 -0.31 0.00 0.00 175.10 173.61 2e6p s GLU 51 N -5.48 0.74 0.09 4.82 2.02 -1.26 -4.94 118.70 114.68 2e6p s GLU 51 Ca 0.62 -1.03 -0.35 0.00 0.02 0.00 0.00 54.97 54.23 2e6p s GLU 51 Cb -0.12 -2.02 -0.19 0.00 0.10 0.00 0.00 34.13 31.90 2e6p s GLU 51 CO 0.50 -0.95 0.84 0.39 0.02 0.00 0.00 175.26 176.06 2e6p n GLU 52 N 4.85 0.02 -2.80 1.61 1.02 -1.26 -4.82 120.64 119.25 2e6p n GLU 52 Ca -0.03 0.01 -0.05 0.00 -0.02 0.00 0.00 57.16 57.07 2e6p n GLU 52 Cb 0.42 -1.30 0.02 0.00 -0.02 0.00 0.00 31.44 30.57 2e6p n GLU 52 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2e6p n SER 53 N 1.72 -1.35 -0.25 1.62 2.88 0.71 -4.93 113.62 114.01 2e6p n SER 53 Ca 0.19 -1.88 0.08 0.00 -1.33 0.00 0.00 58.87 55.92 2e6p n SER 53 Cb 0.15 2.24 0.32 0.00 -0.75 0.00 0.00 64.21 66.18 2e6p n SER 53 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2e6p h GLU 54 N 0.00 0.80 -0.00 -1.46 4.81 -2.02 0.85 114.58 117.55 2e6p h GLU 54 Ca -0.20 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 2e6p h GLU 54 Cb 0.77 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.97 2e6p h GLU 54 CO 0.26 0.53 -0.36 1.28 -0.73 0.00 0.00 179.01 179.99 2e6p n LEU 55 N -4.52 0.80 -3.80 1.64 4.77 -1.26 -4.67 117.00 109.96 2e6p n LEU 55 Ca 0.14 -0.15 -0.30 0.00 -0.03 0.00 0.00 56.01 55.67 2e6p n LEU 55 Cb 0.31 -0.18 -0.15 0.00 -2.33 0.00 0.00 43.42 41.07 2e6p n LEU 55 CO 0.32 0.16 -0.34 -0.22 -1.33 0.00 0.00 177.39 175.98 2e6p s LEU 56 N -2.71 2.62 -0.15 2.23 0.20 0.29 -4.20 118.68 116.97 2e6p s LEU 56 Ca 0.19 -1.62 -0.06 0.00 0.69 0.00 0.00 54.13 53.33 2e6p s LEU 56 Cb 0.19 -1.00 -0.04 0.00 -0.43 0.00 0.00 46.19 44.90 2e6p s LEU 56 CO 0.59 -0.38 0.07 -0.69 -0.29 0.00 0.00 176.35 175.65 2e6p s VAL 57 N 1.49 4.92 -0.19 1.68 1.01 -0.76 -0.21 120.40 128.35 2e6p s VAL 57 Ca 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 61.98 62.05 2e6p s VAL 57 Cb -0.18 -3.17 0.05 0.00 0.00 0.00 0.00 36.38 33.08 2e6p s VAL 57 CO -0.19 0.53 -0.05 -0.69 0.00 0.00 0.00 175.10 174.70 2e6p s VAL 58 N -0.27 1.23 0.14 2.92 1.01 -1.26 -1.01 120.40 123.15 2e6p s VAL 58 Ca 0.09 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.30 2e6p s VAL 58 Cb -0.12 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 2e6p s VAL 58 CO 0.01 0.06 0.22 -0.54 0.00 0.00 0.00 175.10 174.86 2e6p s LYS 59 N 1.57 3.24 0.06 2.72 -0.14 -1.05 -5.05 119.74 121.09 2e6p s LYS 59 Ca -0.01 -0.66 0.04 0.00 -1.36 0.00 0.00 55.97 53.98 2e6p s LYS 59 Cb -0.16 -2.86 -0.03 0.00 -1.68 0.00 0.00 37.83 33.10 2e6p s LYS 59 CO -0.07 0.52 -0.13 1.41 -0.76 0.00 0.00 175.35 176.32 2e6p s MET 60 N -3.05 0.76 0.04 1.68 -2.45 -1.26 -3.42 119.30 111.60 2e6p s MET 60 Ca 0.33 -0.86 -0.27 0.00 -1.25 0.00 0.00 55.69 53.64 2e6p s MET 60 Cb -0.11 -0.72 0.07 0.00 1.25 0.00 0.00 34.83 35.32 2e6p s MET 60 CO 0.26 0.16 0.64 -0.51 1.05 0.00 0.00 175.02 176.62 2e6p s ASP 61 N -1.55 -0.61 -0.65 1.11 1.01 0.42 -5.01 116.67 111.38 2e6p s ASP 61 Ca -0.03 0.40 -0.40 0.00 0.71 0.00 0.00 52.55 53.24 2e6p s ASP 61 Cb -0.09 0.56 -0.20 0.00 1.01 0.00 0.00 42.92 44.20 2e6p s ASP 61 CO 0.02 -0.76 2.32 0.61 0.21 0.00 0.00 175.17 177.57 2e6p n GLY 62 N 0.38 -0.25 3.85 0.21 0.00 -1.26 0.12 105.19 108.24 2e6p n GLY 62 Ca -0.18 1.13 -0.28 0.00 0.00 0.00 0.00 46.02 46.69 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 7.83 -5.60 -3.66 1.61 1.74 -1.26 -4.93 116.66 112.40 2e6p n ARG 63 Ca 0.58 0.62 -0.06 0.00 -0.77 0.00 0.00 57.85 58.23 2e6p n ARG 63 Cb -0.01 -5.46 -0.07 0.00 -1.02 0.00 0.00 32.46 25.90 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 -6.47 0.45 -0.08 5.56 1.02 0.32 -2.31 119.74 118.23 2e6p s LYS 64 Ca 0.52 1.19 -0.01 0.00 0.02 0.00 0.00 55.97 57.69 2e6p s LYS 64 Cb -0.26 0.51 0.03 0.00 -0.52 0.00 0.00 37.83 37.59 2e6p s LYS 64 CO 0.82 -0.22 -0.02 -1.01 -0.92 0.00 0.00 175.35 174.00 2e6p s HIS 65 N 2.58 0.93 0.07 3.18 3.76 0.27 -0.43 115.29 125.65 2e6p s HIS 65 Ca -0.04 -0.35 0.03 0.00 -0.15 0.00 0.00 55.06 54.54 2e6p s HIS 65 Cb -0.11 -0.94 -0.03 0.00 1.11 0.00 0.00 32.58 32.61 2e6p s HIS 65 CO -0.16 -0.39 -0.09 -0.98 -0.85 0.00 0.00 174.74 172.28 2e6p s ARG 66 N 1.88 0.70 -0.05 1.40 1.70 -1.22 -1.32 118.95 122.03 2e6p s ARG 66 Ca 0.05 -0.98 0.05 0.00 -0.47 0.00 0.00 55.73 54.37 2e6p s ARG 66 Cb -0.12 -0.41 -0.02 0.00 -0.57 0.00 0.00 34.95 33.83 2e6p s ARG 66 CO -0.06 0.06 -0.18 -1.17 -1.08 0.00 0.00 175.30 172.88 2e6p s LEU 67 N -2.06 2.54 0.17 -1.89 0.20 -1.26 -2.54 118.68 113.84 2e6p s LEU 67 Ca -0.01 -0.28 0.11 0.00 0.69 0.00 0.00 54.13 54.63 2e6p s LEU 67 Cb -0.06 -1.50 -0.04 0.00 -0.43 0.00 0.00 46.19 44.16 2e6p s LEU 67 CO -0.00 0.33 -0.24 -0.63 -0.29 0.00 0.00 176.35 175.51 2e6p s ILE 68 N -0.63 2.26 -0.07 6.68 1.01 -0.18 -0.28 121.20 129.99 2e6p s ILE 68 Ca 0.09 -1.94 -0.03 0.00 0.00 0.00 0.00 60.65 58.78 2e6p s ILE 68 Cb -0.11 -2.05 0.04 0.00 0.01 0.00 0.00 42.46 40.35 2e6p s ILE 68 CO 0.00 -0.08 0.08 -0.76 0.00 0.00 0.00 174.94 174.18 2e6p s LEU 69 N -2.49 0.15 0.16 2.97 1.43 0.55 -1.83 118.68 119.61 2e6p s LEU 69 Ca 0.18 -0.01 -0.09 0.00 -1.03 0.00 0.00 54.13 53.18 2e6p s LEU 69 Cb -0.08 -0.10 0.02 0.00 0.03 0.00 0.00 46.19 46.05 2e6p s LEU 69 CO 0.08 -0.27 1.50 1.55 0.23 0.00 0.00 176.35 179.45 2e6p h PRO 70 N 8.43 0.85 -3.27 1.29 0.13 -1.81 -2.67 132.00 134.96 2e6p h PRO 70 Ca -0.13 -0.45 -0.61 0.00 -0.87 0.00 0.00 66.00 63.94 2e6p h PRO 70 Cb 1.13 0.02 -0.40 0.00 0.13 0.00 0.00 31.00 31.87 2e6p h PRO 70 CO 0.17 1.09 -0.73 -2.00 -0.23 0.00 0.00 178.00 176.31 2e6p s GLU 71 N -4.35 1.25 -1.00 0.86 2.12 -1.25 -4.44 118.70 111.88 2e6p s GLU 71 Ca -0.10 -1.87 -0.23 0.00 0.36 0.00 0.00 54.97 53.13 2e6p s GLU 71 Cb 0.11 -2.42 0.04 0.00 0.26 0.00 0.00 34.13 32.12 2e6p s GLU 71 CO 0.87 -1.10 1.47 0.00 -0.54 0.00 0.00 175.26 175.96 2e6p s ALA 72 N 0.59 2.65 0.77 6.30 0.00 -0.92 -4.86 121.76 126.30 2e6p s ALA 72 Ca 0.15 -2.17 -0.09 0.00 0.00 0.00 0.00 51.96 49.85 2e6p s ALA 72 Cb -0.23 -4.52 0.09 0.00 0.00 0.00 0.00 23.12 18.47 2e6p s ALA 72 CO -0.05 -3.67 1.10 0.15 0.00 0.00 0.00 175.76 173.29 2e6p s LYS 73 N 5.13 1.85 0.32 0.00 1.02 -1.26 -2.30 119.74 124.50 2e6p s LYS 73 Ca 0.47 -0.27 0.06 0.00 0.02 0.00 0.00 55.97 56.25 2e6p s LYS 73 Cb -0.01 -2.08 0.72 0.00 -0.52 0.00 0.00 37.83 35.95 2e6p s LYS 73 CO -0.08 -1.53 1.83 0.28 -0.92 0.00 0.00 175.35 174.93 2e6p h VAL 74 N -0.87 0.82 -0.58 3.17 2.07 -1.94 -0.83 116.25 118.09 2e6p h VAL 74 Ca -0.44 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 2e6p h VAL 74 Cb 1.30 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2e6p h VAL 74 CO 0.56 0.15 0.19 1.56 0.02 0.00 0.00 177.57 180.05 2e6p h GLN 75 N 0.80 0.89 -1.54 1.57 4.20 -1.93 -2.56 115.11 116.54 2e6p h GLN 75 Ca 0.50 -0.19 0.45 0.00 0.06 0.00 0.00 58.65 59.47 2e6p h GLN 75 Cb 0.72 -0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.31 2e6p h GLN 75 CO -0.27 0.79 1.10 -0.44 -0.67 0.00 0.00 178.83 179.35 2e6p h ASP 76 N 0.81 0.01 -3.17 1.46 5.19 -1.50 -3.40 116.42 115.82 2e6p h ASP 76 Ca 0.19 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 56.05 2e6p h ASP 76 Cb 0.27 0.00 0.09 0.00 0.18 0.00 0.00 39.33 39.87 2e6p h ASP 76 CO -0.01 -0.00 0.76 -1.54 -3.12 0.00 0.00 179.24 175.33 2e6p n SER 77 N -4.09 3.45 0.00 6.45 3.41 -0.97 -4.91 113.62 116.97 2e6p n SER 77 Ca 0.34 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 60.11 2e6p n SER 77 Cb 1.59 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 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 1.89 1.53 3.70 5.00 0.00 -1.06 -4.97 105.19 111.29 2e6p n GLY 78 Ca 0.08 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.93 4.48 -0.19 1.61 2.56 -1.26 -2.94 118.70 121.02 2e6p s GLU 79 Ca 0.00 1.51 -0.05 0.00 0.00 0.00 0.00 54.97 56.43 2e6p s GLU 79 Cb 0.00 -3.47 -0.03 0.00 2.00 0.00 0.00 34.13 32.63 2e6p s GLU 79 CO 0.00 -0.20 0.01 -0.06 -0.56 0.00 0.00 175.26 174.45 2e6p s PHE 80 N 1.42 3.08 0.11 5.30 0.40 -0.55 -2.82 117.98 124.91 2e6p s PHE 80 Ca 0.53 -0.29 0.10 0.00 -0.60 0.00 0.00 56.93 56.67 2e6p s PHE 80 Cb -0.22 -2.06 -0.04 0.00 0.51 0.00 0.00 43.02 41.21 2e6p s PHE 80 CO 0.25 -0.10 -0.25 -2.00 0.70 0.00 0.00 175.22 173.82 2e6p s GLU 81 N 0.73 1.59 -0.65 0.44 2.12 0.69 -0.58 118.70 123.04 2e6p s GLU 81 Ca 0.01 -1.25 0.05 0.00 0.36 0.00 0.00 54.97 54.13 2e6p s GLU 81 Cb -0.14 -1.97 0.17 0.00 0.26 0.00 0.00 34.13 32.45 2e6p s GLU 81 CO 0.02 0.47 0.46 0.00 -0.54 0.00 0.00 175.26 175.68 2e6p s ARG 83 N -1.19 3.51 0.00 0.00 3.52 0.10 -3.63 118.95 121.27 2e6p s ARG 83 Ca 0.26 0.65 0.00 0.00 -0.13 0.00 0.00 55.73 56.50 2e6p s ARG 83 Cb -0.04 -4.03 0.00 0.00 -1.56 0.00 0.00 34.95 29.32 2e6p s ARG 83 CO -0.17 -1.66 0.00 -2.37 -0.81 0.00 0.00 175.30 170.30 2e6p n THR 84 N 6.93 0.00 0.00 4.11 5.66 -1.06 -0.35 114.28 129.57 2e6p n THR 84 Ca 0.14 0.22 0.00 0.00 -3.05 0.00 0.00 64.05 61.35 2e6p n THR 84 Cb 0.49 -1.02 0.00 0.00 -1.55 0.00 0.00 70.33 68.25 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 -1.66 0.00 0.00 1.09 4.07 -1.26 -4.57 120.64 118.31 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 -0.33 0.00 0.00 -0.06 0.00 0.00 31.44 31.05 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 2.39 0.00 3.82 8.31 0.00 -1.26 -5.11 105.19 113.33 2e6p n GLY 86 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.18 1.75 0.17 1.61 -7.23 -1.26 -5.13 120.40 109.14 2e6p s VAL 87 Ca 0.00 -1.67 -0.23 0.00 -1.81 0.00 0.00 61.98 58.27 2e6p s VAL 87 Cb 0.00 -2.42 0.06 0.00 0.56 0.00 0.00 36.38 34.57 2e6p s VAL 87 CO 0.00 0.00 0.69 -0.44 -0.31 0.00 0.00 175.10 175.04 2e6p s SER 88 N -4.07 -0.43 -0.13 4.85 0.01 -1.26 -2.57 113.70 110.11 2e6p s SER 88 Ca 0.30 -0.20 -0.01 0.00 1.31 0.00 0.00 55.95 57.35 2e6p s SER 88 Cb 0.00 0.60 -0.02 0.00 0.21 0.00 0.00 66.02 66.82 2e6p s SER 88 CO 0.17 -1.03 -0.12 0.00 0.41 0.00 0.00 173.24 172.68 2e6p s ALA 89 N -3.69 2.69 -0.24 1.44 0.00 -1.24 -4.84 121.76 115.89 2e6p s ALA 89 Ca 0.05 -0.88 -0.11 0.00 0.00 0.00 0.00 51.96 51.02 2e6p s ALA 89 Cb -0.02 -1.26 -0.05 0.00 0.00 0.00 0.00 23.12 21.79 2e6p s ALA 89 CO -0.06 0.26 0.18 -0.06 0.00 0.00 0.00 175.76 176.09 2e6p s PHE 90 N 0.28 3.32 -0.22 0.00 0.40 -1.26 -2.43 117.98 118.09 2e6p s PHE 90 Ca -0.09 0.27 0.01 0.00 -0.60 0.00 0.00 56.93 56.52 2e6p s PHE 90 Cb -0.15 -2.29 0.05 0.00 0.51 0.00 0.00 43.02 41.13 2e6p s PHE 90 CO 0.05 0.06 -0.08 -0.06 0.70 0.00 0.00 175.22 175.89 2e6p s PHE 91 N 1.07 2.46 -0.49 0.36 0.40 0.26 -2.93 117.98 119.10 2e6p s PHE 91 Ca 0.09 -1.69 -0.27 0.00 -0.60 0.00 0.00 56.93 54.45 2e6p s PHE 91 Cb -0.14 -1.63 0.03 0.00 0.51 0.00 0.00 43.02 41.79 2e6p s PHE 91 CO 0.05 -0.76 1.03 0.20 0.70 0.00 0.00 175.22 176.43 2e6p s GLY 92 N 1.38 1.37 0.08 4.36 0.00 -1.04 -1.48 107.32 111.99 2e6p s GLY 92 Ca -0.03 -0.73 0.05 0.00 0.00 0.00 0.00 44.72 44.00 2e6p s GLY 92 CO -0.07 2.22 -0.02 0.14 0.00 0.00 0.00 173.10 175.37 2e6p s VAL 93 N 4.14 3.91 -0.15 1.40 1.01 -1.15 -0.06 120.40 129.50 2e6p s VAL 93 Ca 0.41 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 2e6p s VAL 93 Cb -0.09 -2.84 0.07 0.00 0.00 0.00 0.00 36.38 33.52 2e6p s VAL 93 CO 0.27 0.14 0.23 -0.89 0.00 0.00 0.00 175.10 174.85 2e6p s THR 94 N -1.27 -0.35 -0.42 3.92 2.01 -0.99 -2.55 115.64 115.98 2e6p s THR 94 Ca 0.24 0.16 -0.14 0.00 0.31 0.00 0.00 61.69 62.26 2e6p s THR 94 Cb -0.12 -0.50 0.04 0.00 0.01 0.00 0.00 72.50 71.94 2e6p s THR 94 CO 0.17 0.01 0.30 -0.69 -0.69 0.00 0.00 174.62 173.72 2e6p s VAL 95 N 2.36 5.01 -0.16 3.82 1.01 -1.26 -0.46 120.40 130.72 2e6p s VAL 95 Ca 0.04 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 2e6p s VAL 95 Cb -0.13 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 2e6p s VAL 95 CO -0.09 -0.39 0.11 -1.10 0.00 0.00 0.00 175.10 173.63 2e6p s GLN 96 N 1.62 3.81 0.08 2.72 -0.21 -0.08 -4.59 119.66 123.01 2e6p s GLN 96 Ca 0.04 -0.23 -0.30 0.00 0.02 0.00 0.00 55.36 54.88 2e6p s GLN 96 Cb -0.21 -3.25 -0.06 0.00 1.00 0.00 0.00 33.01 30.49 2e6p s GLN 96 CO 0.08 0.48 1.14 0.16 -2.12 0.00 0.00 175.29 175.03 2e6p s ASP 97 N -0.18 7.17 0.51 5.90 -4.77 -1.26 -1.80 116.67 122.24 2e6p s ASP 97 Ca 0.10 1.98 -0.21 0.00 -3.30 0.00 0.00 52.55 51.12 2e6p s ASP 97 Cb -0.12 -2.58 -0.06 0.00 -1.09 0.00 0.00 42.92 39.07 2e6p s ASP 97 CO 0.01 -0.38 1.14 -2.16 0.70 0.00 0.00 175.17 174.48 2e6p s PRO 98 N 0.70 3.52 0.30 2.11 0.04 -1.26 -4.94 135.00 135.47 2e6p s PRO 98 Ca 0.55 1.68 -0.28 0.00 0.04 0.00 0.00 61.00 62.99 2e6p s PRO 98 Cb -0.28 -2.17 -0.14 0.00 0.04 0.00 0.00 34.50 31.96 2e6p s PRO 98 CO 0.30 -0.73 1.10 0.43 0.04 0.00 0.00 177.00 178.14 2e6p n SER 99 N -0.97 1.74 -0.27 6.66 7.64 -1.26 -4.69 113.62 122.47 2e6p n SER 99 Ca 0.10 1.19 0.03 0.00 1.01 0.00 0.00 58.87 61.20 2e6p n SER 99 Cb 0.50 -1.35 -0.01 0.00 -1.01 0.00 0.00 64.21 62.34 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 1.12 -2.12 3.75 0.23 0.00 -1.26 -4.88 105.19 102.03 2e6p n GLY 100 Ca 0.08 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.30 4.42 -0.08 1.61 0.04 -1.26 -5.04 135.00 132.38 2e6p s PRO 101 Ca 0.00 2.05 -0.04 0.00 0.04 0.00 0.00 61.00 63.05 2e6p s PRO 101 Cb 0.00 -3.17 0.04 0.00 0.04 0.00 0.00 34.50 31.41 2e6p s PRO 101 CO 0.00 -0.18 0.18 -1.54 0.04 0.00 0.00 177.00 175.50 2e6p s SER 102 N 0.03 0.03 -1.70 6.66 1.04 -1.26 -4.88 113.70 113.62 2e6p s SER 102 Ca 0.54 0.37 -0.16 0.00 0.48 0.00 0.00 55.95 57.18 2e6p s SER 102 Cb -0.36 0.28 0.14 0.00 0.10 0.00 0.00 66.02 66.18 2e6p s SER 102 CO 0.41 -0.17 0.62 -1.54 0.98 0.00 0.00 173.24 173.54 2e6p n SER 103 N 4.47 -2.14 -0.66 7.02 3.41 -1.26 -5.06 113.62 119.40 2e6p n SER 103 Ca -0.21 -1.10 0.08 0.00 -0.26 0.00 0.00 58.87 57.38 2e6p n SER 103 Cb 0.51 -2.39 0.07 0.00 -0.26 0.00 0.00 64.21 62.14 2e6p n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49