#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w2l n PRO 4 N 0.00 1.67 -0.26 2.12 -0.02 -1.26 -4.78 135.00 132.47 1w2l n PRO 4 Ca 0.00 0.60 -0.06 0.00 -2.02 0.00 0.00 63.50 62.02 1w2l n PRO 4 Cb 0.00 -2.35 0.05 0.00 -0.02 0.00 0.00 33.50 31.18 1w2l n PRO 4 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1w2l h LEU 5 N 1.66 0.90 -1.19 2.45 3.38 -1.96 -1.35 115.31 119.20 1w2l h LEU 5 Ca -0.48 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.39 1w2l h LEU 5 Cb 1.31 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 1w2l h LEU 5 CO 0.58 0.77 0.55 0.00 0.09 0.00 0.00 178.44 180.42 1w2l h ALA 6 N 1.18 1.43 -0.16 1.53 0.00 -1.90 0.92 119.26 122.26 1w2l h ALA 6 Ca 0.24 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1w2l h ALA 6 Cb 0.08 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1w2l h ALA 6 CO -0.03 0.51 -0.37 1.49 0.00 0.00 0.00 179.25 180.85 1w2l h GLU 7 N 1.10 0.53 -0.53 0.00 4.81 -1.73 -1.26 114.58 117.49 1w2l h GLU 7 Ca 0.31 -0.36 -0.06 0.00 -0.13 0.00 0.00 59.36 59.13 1w2l h GLU 7 Cb -0.07 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1w2l h GLU 7 CO -0.08 0.97 0.09 1.25 -0.73 0.00 0.00 179.01 180.51 1w2l h LEU 8 N 0.17 0.79 -1.16 1.64 5.85 -0.93 -2.28 115.31 119.38 1w2l h LEU 8 Ca -0.00 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.49 1w2l h LEU 8 Cb 0.97 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 1w2l h LEU 8 CO 0.08 0.80 -0.21 1.23 -0.34 0.00 0.00 178.44 180.00 1w2l h GLY 9 N 0.98 0.36 1.15 3.75 0.00 -0.50 -0.34 103.07 108.46 1w2l h GLY 9 Ca 0.17 -0.26 -0.07 0.00 0.00 0.00 0.00 47.33 47.17 1w2l h GLY 9 CO 0.01 0.24 0.15 0.00 0.00 0.00 0.00 176.54 176.94 1w2l h ALA 10 N 1.49 1.01 -0.49 3.60 0.00 -0.88 0.41 119.26 124.39 1w2l h ALA 10 Ca 0.05 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1w2l h ALA 10 Cb 0.54 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1w2l h ALA 10 CO 0.04 0.64 0.05 0.00 0.00 0.00 0.00 179.25 179.98 1w2l h ARG 11 N 1.00 0.84 -0.20 0.00 3.08 -0.80 -3.02 114.38 115.29 1w2l h ARG 11 Ca 0.21 -0.24 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 1w2l h ARG 11 Cb 0.37 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1w2l h ARG 11 CO 0.00 0.86 -0.34 -0.07 -1.07 0.00 0.00 179.97 179.35 1w2l h LEU 12 N 0.71 0.42 -1.27 3.04 3.38 -0.82 0.15 115.31 120.92 1w2l h LEU 12 Ca 0.15 -0.16 0.13 0.00 0.09 0.00 0.00 57.88 58.09 1w2l h LEU 12 Cb 0.44 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.01 1w2l h LEU 12 CO 0.02 0.74 0.57 0.22 0.09 0.00 0.00 178.44 180.07 1w2l h TYR 13 N 0.35 0.84 0.00 1.13 3.20 -0.79 0.50 116.97 122.20 1w2l h TYR 13 Ca 0.04 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 1w2l h TYR 13 Cb 0.76 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.77 1w2l h TYR 13 CO 0.02 0.33 -0.03 0.00 -1.64 0.00 0.00 178.16 176.84 1w2l h ARG 14 N 0.72 0.00 -0.40 1.82 3.08 -1.37 -2.07 114.38 116.16 1w2l h ARG 14 Ca 0.44 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.46 1w2l h ARG 14 Cb 0.66 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 1w2l h ARG 14 CO -0.20 0.13 0.14 0.93 -1.07 0.00 0.00 179.97 179.90 1w2l h GLU 15 N -1.00 0.58 -0.30 0.04 5.08 -0.76 -1.70 114.58 116.53 1w2l h GLU 15 Ca -0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1w2l h GLU 15 Cb 0.15 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1w2l h GLU 15 CO -0.00 0.50 0.00 1.63 -1.00 0.00 0.00 179.01 180.14 1w2l n LYS 16 N -4.36 1.87 -0.99 2.33 4.76 0.15 -4.94 118.16 116.98 1w2l n LYS 16 Ca 0.03 -1.33 0.00 0.00 -2.87 0.00 0.00 58.31 54.14 1w2l n LYS 16 Cb 0.16 -1.36 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 1w2l n LYS 16 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1w2l n ALA 17 N 0.56 0.00 -0.25 7.82 0.00 -0.64 -4.91 120.51 123.10 1w2l n ALA 17 Ca 0.15 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.67 1w2l n ALA 17 Cb 0.35 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.14 1w2l n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1w2l h PHE 19 N 0.79 0.00 0.00 0.00 -0.00 -1.57 -0.47 116.94 115.69 1w2l h PHE 19 Ca 0.39 0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 58.31 1w2l h PHE 19 Cb 0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.39 1w2l h PHE 19 CO -0.00 0.00 -0.20 0.66 -0.00 0.00 0.00 178.31 178.76 1w2l h SER 20 N 0.00 0.00 0.00 -0.68 4.64 -1.56 -3.30 113.55 112.65 1w2l h SER 20 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1w2l h SER 20 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1w2l h SER 20 CO -0.00 0.20 -0.47 0.00 -0.87 0.00 0.00 176.83 175.69 1w2l s HIS 22 N -1.42 1.24 0.73 0.00 3.76 -0.27 -0.79 115.29 118.54 1w2l s HIS 22 Ca 0.00 -0.57 -0.09 0.00 -0.15 0.00 0.00 55.06 54.25 1w2l s HIS 22 Cb 0.00 -1.10 0.06 0.00 1.11 0.00 0.00 32.58 32.64 1w2l s HIS 22 CO 0.00 -0.46 1.07 -1.54 -0.85 0.00 0.00 174.74 172.96 1w2l s SER 23 N 1.78 4.87 -0.01 1.40 1.04 -1.26 -4.25 113.70 117.27 1w2l s SER 23 Ca 0.05 0.68 0.02 0.00 0.48 0.00 0.00 55.95 57.18 1w2l s SER 23 Cb -0.12 -1.34 0.05 0.00 0.10 0.00 0.00 66.02 64.71 1w2l s SER 23 CO -0.07 -1.61 1.03 2.30 0.98 0.00 0.00 173.24 175.87 1w2l n ILE 24 N -3.03 1.06 -0.41 -1.02 -5.35 -1.26 -1.08 119.36 108.27 1w2l n ILE 24 Ca 0.07 -1.08 0.05 0.00 -0.27 0.00 0.00 62.75 61.52 1w2l n ILE 24 Cb 0.60 0.45 0.10 0.00 -1.74 0.00 0.00 39.64 39.05 1w2l n ILE 24 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1w2l n ASP 25 N -0.47 2.55 0.00 7.28 5.75 -1.26 -4.43 116.55 125.96 1w2l n ASP 25 Ca 0.02 -2.37 0.00 0.00 -0.01 0.00 0.00 54.79 52.43 1w2l n ASP 25 Cb 0.29 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 1w2l n ASP 25 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1w2l n GLY 26 N -0.46 1.34 3.77 6.12 0.00 -1.26 -5.05 105.19 109.65 1w2l n GLY 26 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1w2l n GLY 26 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1w2l s SER 27 N -2.55 6.94 -0.10 1.61 1.04 -1.26 -4.76 113.70 114.62 1w2l s SER 27 Ca 0.00 2.16 -0.26 0.00 0.48 0.00 0.00 55.95 58.34 1w2l s SER 27 Cb 0.00 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.49 1w2l s SER 27 CO 0.00 -0.37 0.82 -0.60 0.98 0.00 0.00 173.24 174.08 1w2l s ARG 28 N -2.04 4.40 0.00 4.02 3.52 -1.26 -3.99 118.95 123.59 1w2l s ARG 28 Ca 0.52 1.06 0.00 0.00 -0.13 0.00 0.00 55.73 57.19 1w2l s ARG 28 Cb -0.27 -3.51 0.00 0.00 -1.56 0.00 0.00 34.95 29.61 1w2l s ARG 28 CO 0.34 -0.14 0.00 1.28 -0.81 0.00 0.00 175.30 175.97 1w2l n LEU 29 N 4.48 0.00 -0.25 -0.88 4.77 -1.26 -4.97 117.00 118.88 1w2l n LEU 29 Ca 0.03 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.97 1w2l n LEU 29 Cb 0.50 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.66 1w2l n LEU 29 CO 0.49 0.00 1.16 0.58 -1.33 0.00 0.00 177.39 178.28 1w2l h VAL 30 N 0.00 1.13 -1.05 4.08 2.07 -1.83 -3.44 116.25 117.22 1w2l h VAL 30 Ca 0.00 -0.31 -0.55 0.00 0.82 0.00 0.00 66.70 66.66 1w2l h VAL 30 Cb 0.00 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 29.87 1w2l h VAL 30 CO 0.00 0.17 -0.35 -0.83 0.02 0.00 0.00 177.57 176.58 1w2l s GLY 31 N -2.90 2.26 0.59 2.17 0.00 0.03 -4.69 107.32 104.79 1w2l s GLY 31 Ca -0.13 -1.64 -0.17 0.00 0.00 0.00 0.00 44.72 42.79 1w2l s GLY 31 CO 0.77 -1.84 1.10 2.56 0.00 0.00 0.00 173.10 175.69 1w2l s PRO 32 N -4.19 3.17 0.55 2.90 0.04 -1.26 -4.67 135.00 131.53 1w2l s PRO 32 Ca 0.41 1.42 -0.20 0.00 0.04 0.00 0.00 61.00 62.67 1w2l s PRO 32 Cb -0.02 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 1w2l s PRO 32 CO 0.24 -0.96 1.14 0.45 0.04 0.00 0.00 177.00 177.92 1w2l s SER 33 N -2.33 5.67 0.39 6.66 0.15 -1.26 -4.41 113.70 118.57 1w2l s SER 33 Ca 0.68 2.22 0.24 0.00 0.70 0.00 0.00 55.95 59.79 1w2l s SER 33 Cb -0.20 -2.59 0.46 0.00 -1.71 0.00 0.00 66.02 61.98 1w2l s SER 33 CO 0.34 -1.26 1.65 -0.26 1.20 0.00 0.00 173.24 174.91 1w2l h PHE 34 N 1.20 0.00 -1.99 3.44 0.04 -1.43 -3.42 116.94 114.78 1w2l h PHE 34 Ca -0.50 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 59.68 1w2l h PHE 34 Cb 1.27 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.43 1w2l h PHE 34 CO 0.51 0.00 1.29 1.17 -0.60 0.00 0.00 178.31 180.67 1w2l n LYS 35 N -2.90 2.18 -0.99 1.51 4.81 -1.26 -1.83 118.16 119.67 1w2l n LYS 35 Ca 0.04 0.73 0.00 0.00 -0.87 0.00 0.00 58.31 58.22 1w2l n LYS 35 Cb 0.51 -2.89 0.00 0.00 0.02 0.00 0.00 35.03 32.66 1w2l n LYS 35 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1w2l n GLY 36 N 5.09 0.82 0.17 3.14 0.00 0.11 -4.84 105.19 109.68 1w2l n GLY 36 Ca 0.26 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.15 1w2l n GLY 36 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1w2l h LEU 37 N 0.00 -0.29 -9.46 0.99 5.85 -1.53 -3.36 115.31 107.51 1w2l h LEU 37 Ca 0.00 -0.16 -0.53 0.00 0.84 0.00 0.00 57.88 58.03 1w2l h LEU 37 Cb 0.01 0.07 0.03 0.00 0.37 0.00 0.00 40.66 41.14 1w2l h LEU 37 CO 0.00 0.00 1.05 -0.47 -0.34 0.00 0.00 178.44 178.68 1w2l s TYR 38 N -5.08 2.26 0.00 1.25 5.04 -1.26 -1.35 117.35 118.22 1w2l s TYR 38 Ca -0.15 0.16 0.00 0.00 -2.44 0.00 0.00 57.07 54.65 1w2l s TYR 38 Cb 0.03 -4.05 0.00 0.00 0.35 0.00 0.00 41.96 38.29 1w2l s TYR 38 CO 0.59 -4.29 0.00 0.41 -1.34 0.00 0.00 175.55 170.93 1w2l n GLY 39 N 4.11 0.79 3.91 8.97 0.00 -0.17 -5.03 105.19 117.76 1w2l n GLY 39 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1w2l n GLY 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1w2l s SER 40 N -2.70 6.14 -0.02 1.61 1.04 -0.45 -4.77 113.70 114.55 1w2l s SER 40 Ca 0.00 0.85 -0.20 0.00 0.48 0.00 0.00 55.95 57.08 1w2l s SER 40 Cb 0.00 -2.13 -0.05 0.00 0.10 0.00 0.00 66.02 63.94 1w2l s SER 40 CO 0.00 -0.65 0.59 -0.89 0.98 0.00 0.00 173.24 173.27 1w2l s THR 41 N -2.76 4.94 -0.04 2.02 2.01 -1.26 -0.87 115.64 119.68 1w2l s THR 41 Ca 0.48 1.23 0.01 0.00 0.31 0.00 0.00 61.69 63.72 1w2l s THR 41 Cb -0.10 -3.93 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 1w2l s THR 41 CO 0.44 0.40 -0.06 -0.13 -0.69 0.00 0.00 174.62 174.59 1w2l s ARG 42 N -0.07 2.71 -0.12 4.92 1.81 0.61 -4.94 118.95 123.88 1w2l s ARG 42 Ca 0.31 -0.59 -0.00 0.00 -1.72 0.00 0.00 55.73 53.73 1w2l s ARG 42 Cb -0.18 -2.59 -0.02 0.00 -0.45 0.00 0.00 34.95 31.71 1w2l s ARG 42 CO 0.17 0.65 -0.11 0.99 -0.68 0.00 0.00 175.30 176.32 1w2l s THR 43 N -0.89 3.27 0.48 0.02 2.01 -1.26 -1.20 115.64 118.07 1w2l s THR 43 Ca 0.14 -0.59 0.07 0.00 0.31 0.00 0.00 61.69 61.62 1w2l s THR 43 Cb -0.11 -2.37 0.04 0.00 0.01 0.00 0.00 72.50 70.06 1w2l s THR 43 CO 0.04 0.53 0.66 -0.36 -0.69 0.00 0.00 174.62 174.80 1w2l s PHE 44 N 0.18 2.43 0.56 4.92 0.08 0.08 -0.78 117.98 125.45 1w2l s PHE 44 Ca -0.06 -0.44 0.27 0.00 0.12 0.00 0.00 56.93 56.83 1w2l s PHE 44 Cb -0.15 -2.40 1.70 0.00 -0.57 0.00 0.00 43.02 41.60 1w2l s PHE 44 CO 0.04 -0.69 2.22 0.93 -0.10 0.00 0.00 175.22 177.62 1w2l h GLU 45 N 0.43 0.00 -0.06 0.44 5.08 -1.28 0.49 114.58 119.69 1w2l h GLU 45 Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1w2l h GLU 45 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1w2l h GLU 45 CO 0.45 0.02 0.00 -0.40 -1.00 0.00 0.00 179.01 178.07 1w2l n ASP 46 N -3.93 1.19 0.00 1.42 5.68 -1.26 -4.93 116.55 114.71 1w2l n ASP 46 Ca -0.03 -1.48 0.00 0.00 -0.50 0.00 0.00 54.79 52.78 1w2l n ASP 46 Cb 0.10 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 1w2l n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1w2l n GLY 47 N 1.10 1.20 3.79 6.12 0.00 0.16 -5.04 105.19 112.52 1w2l n GLY 47 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1w2l n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1w2l s THR 48 N -2.43 3.19 0.11 2.61 -4.23 -1.26 -4.74 115.64 108.89 1w2l s THR 48 Ca 0.00 0.39 0.02 0.00 -1.18 0.00 0.00 61.69 60.92 1w2l s THR 48 Cb 0.00 -3.05 -0.04 0.00 1.34 0.00 0.00 72.50 70.74 1w2l s THR 48 CO 0.00 -0.51 -0.06 0.42 -0.54 0.00 0.00 174.62 173.93 1w2l s THR 49 N -3.07 0.73 0.10 3.99 -4.23 -1.26 -0.75 115.64 111.16 1w2l s THR 49 Ca 0.61 -1.95 -0.25 0.00 -1.18 0.00 0.00 61.69 58.91 1w2l s THR 49 Cb -0.15 -1.73 0.07 0.00 1.34 0.00 0.00 72.50 72.03 1w2l s THR 49 CO 0.55 -0.84 0.62 0.00 -0.54 0.00 0.00 174.62 174.42 1w2l s ALA 50 N -3.60 -1.65 0.21 3.99 0.00 -0.34 -4.99 121.76 115.38 1w2l s ALA 50 Ca 0.13 0.74 -0.22 0.00 0.00 0.00 0.00 51.96 52.61 1w2l s ALA 50 Cb 0.05 0.62 -0.08 0.00 0.00 0.00 0.00 23.12 23.71 1w2l s ALA 50 CO -0.04 -0.65 0.75 0.54 0.00 0.00 0.00 175.76 176.36 1w2l s VAL 51 N -2.99 4.49 -1.30 0.00 0.11 -1.26 -0.28 120.40 119.18 1w2l s VAL 51 Ca -0.03 1.44 -0.18 0.00 -2.93 0.00 0.00 61.98 60.28 1w2l s VAL 51 Cb -0.01 -3.95 0.08 0.00 -1.53 0.00 0.00 36.38 30.97 1w2l s VAL 51 CO -0.06 0.30 1.72 0.00 -3.33 0.00 0.00 175.10 173.74 1w2l n ALA 52 N 0.99 3.60 -2.75 1.54 0.00 -0.05 -4.74 120.51 119.10 1w2l n ALA 52 Ca -0.03 -3.88 -0.22 0.00 0.00 0.00 0.00 53.44 49.31 1w2l n ALA 52 Cb 0.50 -3.57 0.09 0.00 0.00 0.00 0.00 19.45 16.48 1w2l n ALA 52 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1w2l n ASP 53 N 8.17 1.51 -0.21 0.00 5.68 -1.26 -1.00 116.55 129.43 1w2l n ASP 53 Ca 0.48 -2.19 -0.03 0.00 -0.50 0.00 0.00 54.79 52.55 1w2l n ASP 53 Cb 0.46 -0.53 0.08 0.00 -1.14 0.00 0.00 41.12 39.99 1w2l n ASP 53 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1w2l h GLU 54 N 0.00 0.63 -0.87 0.11 4.81 -2.00 -1.55 114.58 115.71 1w2l h GLU 54 Ca -0.29 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.89 1w2l h GLU 54 Cb 1.14 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.34 1w2l h GLU 54 CO 0.34 0.42 0.50 -0.91 -0.73 0.00 0.00 179.01 178.62 1w2l h ASN 55 N 0.65 1.07 -0.61 1.04 2.35 -1.96 -0.45 115.58 117.69 1w2l h ASN 55 Ca 0.27 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.90 1w2l h ASN 55 Cb 0.14 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 1w2l h ASN 55 CO -0.16 0.85 0.21 0.22 -1.65 0.00 0.00 177.43 176.89 1w2l h TYR 56 N 1.21 0.97 -0.53 1.19 3.20 -1.69 -0.01 116.97 121.32 1w2l h TYR 56 Ca 0.31 -0.09 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 1w2l h TYR 56 Cb -0.00 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 37.96 1w2l h TYR 56 CO 0.01 0.79 0.23 -0.07 -1.64 0.00 0.00 178.16 177.48 1w2l h LEU 57 N 0.86 0.71 -0.19 2.82 3.38 -0.91 -0.44 115.31 121.55 1w2l h LEU 57 Ca 0.20 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1w2l h LEU 57 Cb 0.27 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1w2l h LEU 57 CO -0.01 0.67 0.11 -0.09 0.09 0.00 0.00 178.44 179.21 1w2l h ARG 58 N 0.71 0.25 -0.79 1.13 2.43 -0.88 -2.22 114.38 115.01 1w2l h ARG 58 Ca 0.18 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 1w2l h ARG 58 Cb 0.17 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 1w2l h ARG 58 CO -0.02 0.21 0.38 1.49 -1.51 0.00 0.00 179.97 180.52 1w2l h GLU 59 N 0.22 1.14 -0.47 0.20 4.81 -0.86 0.01 114.58 119.64 1w2l h GLU 59 Ca 0.07 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.09 1w2l h GLU 59 Cb 0.02 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 1w2l h GLU 59 CO -0.01 0.88 0.14 0.77 -0.73 0.00 0.00 179.01 180.06 1w2l h SER 60 N 1.11 0.63 0.07 1.04 0.02 -0.78 0.12 113.55 115.75 1w2l h SER 60 Ca 0.27 -0.09 -0.17 0.00 -0.84 0.00 0.00 61.79 60.96 1w2l h SER 60 Cb 0.12 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 1w2l h SER 60 CO -0.03 0.61 -0.86 0.40 -1.14 0.00 0.00 176.83 175.80 1w2l h ILE 61 N 0.67 1.33 0.00 3.27 2.04 -1.04 -3.30 117.51 120.48 1w2l h ILE 61 Ca 0.16 -2.37 0.00 0.00 1.00 0.00 0.00 64.86 63.64 1w2l h ILE 61 Cb 0.21 2.92 0.00 0.00 -0.74 0.00 0.00 36.82 39.21 1w2l h ILE 61 CO -0.01 0.61 -0.80 -0.07 0.00 0.00 0.00 178.15 177.88 1w2l h LEU 62 N -0.64 0.00 -5.62 1.44 3.38 -1.01 -3.36 115.31 109.50 1w2l h LEU 62 Ca -0.19 -0.01 -0.56 0.00 0.09 0.00 0.00 57.88 57.21 1w2l h LEU 62 Cb 1.44 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.78 1w2l h LEU 62 CO 0.01 0.00 -0.83 0.00 0.09 0.00 0.00 178.44 177.71 1w2l n GLN 63 N -2.73 2.36 -1.79 1.13 6.02 0.40 -4.42 117.38 118.35 1w2l n GLN 63 Ca 0.01 -4.31 -0.41 0.00 -0.01 0.00 0.00 57.00 52.28 1w2l n GLN 63 Cb 0.54 -2.03 0.00 0.00 1.02 0.00 0.00 30.24 29.78 1w2l n GLN 63 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1w2l s PRO 64 N -2.97 3.97 0.00 -1.09 0.04 -1.24 -1.79 135.00 131.93 1w2l s PRO 64 Ca 0.45 2.55 0.00 0.00 0.04 0.00 0.00 61.00 64.04 1w2l s PRO 64 Cb 0.29 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.95 1w2l s PRO 64 CO -0.11 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 176.71 1w2l n GLY 65 N 0.48 2.31 0.22 0.56 0.00 -1.26 -4.93 105.19 102.56 1w2l n GLY 65 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 1w2l n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w2l h ALA 66 N 0.00 0.47 -3.36 4.61 0.00 -1.69 -3.42 119.26 115.87 1w2l h ALA 66 Ca 0.00 -0.36 -0.54 0.00 0.00 0.00 0.00 54.91 54.00 1w2l h ALA 66 Cb 0.00 -0.11 -0.34 0.00 0.00 0.00 0.00 17.79 17.34 1w2l h ALA 66 CO 0.00 0.42 -0.82 0.15 0.00 0.00 0.00 179.25 179.00 1w2l s LYS 67 N -4.54 1.88 -0.14 0.00 1.02 -1.26 -5.14 119.74 111.56 1w2l s LYS 67 Ca -0.12 -0.46 0.00 0.00 0.02 0.00 0.00 55.97 55.41 1w2l s LYS 67 Cb 0.09 -1.59 -0.00 0.00 -0.52 0.00 0.00 37.83 35.81 1w2l s LYS 67 CO 0.82 -0.01 -0.16 0.08 -0.92 0.00 0.00 175.35 175.16 1w2l s VAL 68 N 0.82 2.69 0.27 3.17 1.01 -1.26 -5.00 120.40 122.10 1w2l s VAL 68 Ca -0.11 -0.77 -0.31 0.00 0.00 0.00 0.00 61.98 60.79 1w2l s VAL 68 Cb -0.15 -2.13 -0.12 0.00 0.00 0.00 0.00 36.38 33.98 1w2l s VAL 68 CO 0.02 0.52 1.62 0.52 0.00 0.00 0.00 175.10 177.77 1w2l n VAL 69 N 3.90 0.78 -1.74 2.92 0.31 -1.26 -0.92 118.33 122.32 1w2l n VAL 69 Ca -0.19 -0.20 -0.40 0.00 -0.01 0.00 0.00 64.34 63.54 1w2l n VAL 69 Cb 0.52 -1.94 0.02 0.00 -0.91 0.00 0.00 33.84 31.53 1w2l n VAL 69 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1w2l n GLN 70 N 2.56 2.17 -1.07 5.55 10.64 0.04 -2.81 117.38 134.47 1w2l n GLN 70 Ca 0.10 0.77 -0.02 0.00 -1.83 0.00 0.00 57.00 56.02 1w2l n GLN 70 Cb 0.36 -2.55 -0.01 0.00 -0.86 0.00 0.00 30.24 27.17 1w2l n GLN 70 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1w2l n GLY 71 N 0.65 0.57 3.35 2.61 0.00 -1.26 -4.96 105.19 106.14 1w2l n GLY 71 Ca 0.05 -0.75 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 1w2l n GLY 71 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1w2l s TYR 72 N -2.06 2.02 0.52 1.61 2.02 -1.12 -5.14 117.35 115.21 1w2l s TYR 72 Ca 0.00 -0.41 -0.19 0.00 -0.37 0.00 0.00 57.07 56.11 1w2l s TYR 72 Cb 0.00 -1.07 -0.07 0.00 -0.40 0.00 0.00 41.96 40.42 1w2l s TYR 72 CO 0.00 0.31 1.05 -1.25 -1.57 0.00 0.00 175.55 174.09 1w2l s PRO 73 N -2.23 3.63 -1.24 -1.71 0.04 -1.26 -4.89 135.00 127.34 1w2l s PRO 73 Ca 0.12 1.31 -0.12 0.00 0.04 0.00 0.00 61.00 62.35 1w2l s PRO 73 Cb -0.09 -2.07 0.17 0.00 0.04 0.00 0.00 34.50 32.55 1w2l s PRO 73 CO 0.06 -0.57 1.61 -1.71 0.04 0.00 0.00 177.00 176.44 1w2l n ASN 74 N -1.35 5.17 -0.09 6.66 5.15 -1.26 -4.66 115.26 124.88 1w2l n ASN 74 Ca 0.09 -3.03 0.03 0.00 -0.60 0.00 0.00 54.58 51.07 1w2l n ASN 74 Cb 0.53 -1.54 0.04 0.00 -0.53 0.00 0.00 39.78 38.29 1w2l n ASN 74 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1w2l n VAL 75 N 4.11 0.97 -1.69 3.44 0.24 -1.26 -5.03 118.33 119.12 1w2l n VAL 75 Ca 0.38 -1.10 -0.44 0.00 -2.04 0.00 0.00 64.34 61.14 1w2l n VAL 75 Cb 0.40 0.35 -0.04 0.00 -1.47 0.00 0.00 33.84 33.08 1w2l n VAL 75 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 1w2l n MET 76 N -0.65 2.41 -1.75 7.34 2.81 -1.26 -4.89 117.12 121.13 1w2l n MET 76 Ca 0.05 0.87 -0.40 0.00 -1.81 0.00 0.00 57.70 56.41 1w2l n MET 76 Cb 0.48 -2.67 0.02 0.00 -0.71 0.00 0.00 33.22 30.34 1w2l n MET 76 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 1w2l n PRO 77 N 3.61 2.10 0.18 0.03 -0.02 -1.26 -4.73 135.00 134.92 1w2l n PRO 77 Ca 0.16 0.75 0.03 0.00 -2.02 0.00 0.00 63.50 62.43 1w2l n PRO 77 Cb 0.31 -2.57 0.41 0.00 -0.02 0.00 0.00 33.50 31.64 1w2l n PRO 77 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1w2l h ALA 78 N 2.13 1.52 0.00 3.55 0.00 -1.95 -3.29 119.26 121.21 1w2l h ALA 78 Ca -0.50 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.15 1w2l h ALA 78 Cb 1.28 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1w2l h ALA 78 CO 0.60 0.35 -0.06 0.66 0.00 0.00 0.00 179.25 180.80 1w2l h SER 79 N 0.07 0.00 0.89 0.00 4.64 -1.96 -2.49 113.55 114.70 1w2l h SER 79 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1w2l h SER 79 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1w2l h SER 79 CO 0.03 0.06 0.00 1.88 -0.87 0.00 0.00 176.83 177.94 1w2l h TYR 80 N 0.00 0.00 -0.00 4.77 0.05 -1.82 -2.74 116.97 117.23 1w2l h TYR 80 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1w2l h TYR 80 Cb 0.29 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.03 1w2l h TYR 80 CO 0.00 0.00 0.02 0.00 -1.05 0.00 0.00 178.16 177.13 1w2l h ALA 81 N 2.26 1.08 -0.01 3.88 0.00 -1.59 -1.52 119.26 123.37 1w2l h ALA 81 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1w2l h ALA 81 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1w2l h ALA 81 CO 0.00 -0.02 -0.10 -1.13 0.00 0.00 0.00 179.25 178.00 1w2l n SER 82 N -3.16 1.21 -4.76 0.00 3.41 -1.03 -4.96 113.62 104.32 1w2l n SER 82 Ca -0.03 -1.20 -0.39 0.00 -0.26 0.00 0.00 58.87 56.99 1w2l n SER 82 Cb 0.09 0.04 0.01 0.00 -0.26 0.00 0.00 64.21 64.09 1w2l n SER 82 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1w2l s LEU 83 N -2.21 4.10 0.80 1.04 1.43 -0.57 -4.99 118.68 118.28 1w2l s LEU 83 Ca 0.33 2.73 -0.11 0.00 -1.03 0.00 0.00 54.13 56.04 1w2l s LEU 83 Cb 0.20 -4.01 0.07 0.00 0.03 0.00 0.00 46.19 42.49 1w2l s LEU 83 CO 0.41 -1.08 1.09 -0.94 0.23 0.00 0.00 176.35 176.06 1w2l s SER 84 N -0.76 4.45 0.27 2.29 1.04 -1.26 -4.81 113.70 114.91 1w2l s SER 84 Ca 0.61 1.42 -0.03 0.00 0.48 0.00 0.00 55.95 58.43 1w2l s SER 84 Cb -0.39 -2.16 0.37 0.00 0.10 0.00 0.00 66.02 63.94 1w2l s SER 84 CO 0.50 -2.01 1.92 -0.33 0.98 0.00 0.00 173.24 174.30 1w2l h GLU 85 N -1.12 1.19 -0.42 4.02 4.39 -1.99 -0.89 114.58 119.76 1w2l h GLU 85 Ca -0.47 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.10 1w2l h GLU 85 Cb 1.26 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 29.63 1w2l h GLU 85 CO 0.58 0.79 0.03 -0.09 -1.16 0.00 0.00 179.01 179.15 1w2l h ARG 86 N 1.23 0.72 -0.57 2.33 2.43 -1.99 -1.42 114.38 117.11 1w2l h ARG 86 Ca 0.38 -0.21 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 1w2l h ARG 86 Cb -0.02 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 1w2l h ARG 86 CO -0.11 0.78 0.11 0.93 -1.51 0.00 0.00 179.97 180.17 1w2l h GLU 87 N 0.56 0.93 -0.30 0.20 5.08 -1.80 -0.39 114.58 118.86 1w2l h GLU 87 Ca 0.12 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1w2l h GLU 87 Cb 0.44 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1w2l h GLU 87 CO 0.02 0.88 0.12 0.28 -1.00 0.00 0.00 179.01 179.30 1w2l h VAL 88 N 0.83 1.18 -0.93 3.13 2.07 -1.07 -1.17 116.25 120.28 1w2l h VAL 88 Ca 0.18 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 67.17 1w2l h VAL 88 Cb 0.39 1.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 1w2l h VAL 88 CO 0.01 0.19 0.61 0.00 0.02 0.00 0.00 177.57 178.40 1w2l h ALA 89 N 0.96 1.24 -0.25 1.67 0.00 -1.00 -1.01 119.26 120.86 1w2l h ALA 89 Ca 0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1w2l h ALA 89 Cb 0.19 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1w2l h ALA 89 CO -0.01 0.47 0.02 0.00 0.00 0.00 0.00 179.25 179.74 1w2l h ALA 90 N 1.39 0.33 -0.70 0.00 0.00 -0.82 -0.42 119.26 119.04 1w2l h ALA 90 Ca 0.37 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1w2l h ALA 90 Cb 0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1w2l h ALA 90 CO -0.12 0.04 0.45 -0.07 0.00 0.00 0.00 179.25 179.54 1w2l h LEU 91 N 0.22 0.76 -0.63 0.00 3.38 -0.95 -1.19 115.31 116.89 1w2l h LEU 91 Ca 0.07 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1w2l h LEU 91 Cb 0.36 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1w2l h LEU 91 CO 0.01 0.53 0.10 0.40 0.09 0.00 0.00 178.44 179.57 1w2l h ILE 92 N 0.90 1.26 -0.75 1.22 2.04 -1.00 -0.20 117.51 120.97 1w2l h ILE 92 Ca 0.27 -1.02 0.02 0.00 1.00 0.00 0.00 64.86 65.13 1w2l h ILE 92 Cb -0.04 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 1w2l h ILE 92 CO -0.09 0.38 0.49 -0.33 0.00 0.00 0.00 178.15 178.60 1w2l h GLU 93 N 0.95 0.96 -0.39 2.37 4.39 -0.62 0.67 114.58 122.91 1w2l h GLU 93 Ca 0.19 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 1w2l h GLU 93 Cb 0.43 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1w2l h GLU 93 CO 0.01 0.63 0.16 0.35 -1.16 0.00 0.00 179.01 179.00 1w2l h PHE 94 N 0.98 0.58 -0.55 4.33 3.57 -0.96 -2.93 116.94 121.96 1w2l h PHE 94 Ca 0.29 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 1w2l h PHE 94 Cb -0.06 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.48 1w2l h PHE 94 CO -0.03 0.52 0.33 0.82 -2.23 0.00 0.00 178.31 177.73 1w2l h ILE 95 N 0.48 1.16 -0.01 1.41 2.04 -0.56 -2.81 117.51 119.22 1w2l h ILE 95 Ca 0.13 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1w2l h ILE 95 Cb 0.18 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1w2l h ILE 95 CO -0.01 0.17 0.01 0.11 0.00 0.00 0.00 178.15 178.42 1w2l h LYS 96 N 0.74 0.00 -0.08 2.37 1.57 -0.70 -0.71 116.57 119.75 1w2l h LYS 96 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1w2l h LYS 96 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1w2l h LYS 96 CO -0.04 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.84 1w2l n GLN 97 N -4.48 1.59 -2.78 3.15 10.64 -1.06 -4.67 117.38 119.76 1w2l n GLN 97 Ca -0.03 -0.87 -0.43 0.00 -1.83 0.00 0.00 57.00 53.85 1w2l n GLN 97 Cb 0.10 -1.43 -0.03 0.00 -0.86 0.00 0.00 30.24 28.02 1w2l n GLN 97 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 1w2l s GLN 98 N -1.91 3.29 0.00 2.61 -1.52 -0.28 -5.03 119.66 116.82 1w2l s GLN 98 Ca 0.35 -0.95 0.00 0.00 -1.95 0.00 0.00 55.36 52.81 1w2l s GLN 98 Cb 0.19 -4.50 0.00 0.00 -0.22 0.00 0.00 33.01 28.47 1w2l s GLN 98 CO 0.30 -1.92 0.21 1.04 -0.25 0.00 0.00 175.29 174.66