#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w4l s TYR 12 N 0.00 2.65 0.16 2.11 -0.85 -1.26 -5.11 117.35 115.05 2w4l s TYR 12 Ca 0.00 -0.21 -0.30 0.00 -0.52 0.00 0.00 57.07 56.04 2w4l s TYR 12 Cb 0.00 -1.33 -0.08 0.00 0.38 0.00 0.00 41.96 40.94 2w4l s TYR 12 CO 0.00 0.48 1.20 -1.17 -1.52 0.00 0.00 175.55 174.54 2w4l s LEU 13 N -2.64 4.43 0.58 -3.49 2.96 -1.26 -5.04 118.68 114.23 2w4l s LEU 13 Ca 0.23 2.19 -0.08 0.00 -0.22 0.00 0.00 54.13 56.25 2w4l s LEU 13 Cb -0.09 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 42.97 2w4l s LEU 13 CO 0.14 -0.40 0.94 -1.61 -1.32 0.00 0.00 176.35 174.11 2w4l s GLU 14 N 0.08 3.38 0.12 1.98 0.41 -1.26 -4.87 118.70 118.54 2w4l s GLU 14 Ca 0.54 0.42 -0.25 0.00 -0.41 0.00 0.00 54.97 55.28 2w4l s GLU 14 Cb -0.32 -2.19 -0.06 0.00 -1.78 0.00 0.00 34.13 29.78 2w4l s GLU 14 CO 0.35 -0.54 1.66 -1.49 -0.49 0.00 0.00 175.26 174.75 2w4l h TRP 15 N -0.17 -0.51 -0.55 1.61 -0.00 -1.99 -0.06 115.95 114.29 2w4l h TRP 15 Ca -0.45 0.02 0.06 0.00 -0.00 0.00 0.00 58.89 58.51 2w4l h TRP 15 Cb 1.21 0.22 -0.05 0.00 -0.00 0.00 0.00 29.16 30.54 2w4l h TRP 15 CO 0.59 -0.28 0.26 -1.35 -0.00 0.00 0.00 178.44 177.66 2w4l h PRO 16 N -0.31 0.48 -0.87 0.49 0.11 -1.99 -0.51 132.00 129.39 2w4l h PRO 16 Ca 0.06 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.17 2w4l h PRO 16 Cb 0.39 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 31.33 2w4l h PRO 16 CO -0.18 0.32 0.56 0.93 -0.21 0.00 0.00 178.00 179.42 2w4l h GLU 17 N 0.49 1.06 0.11 1.05 3.07 -1.88 -1.36 114.58 117.12 2w4l h GLU 17 Ca 0.25 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 59.05 2w4l h GLU 17 Cb 0.21 -0.24 0.00 0.00 -0.84 0.00 0.00 28.75 27.88 2w4l h GLU 17 CO -0.20 0.70 -0.05 -0.92 -1.40 0.00 0.00 179.01 177.14 2w4l h TYR 18 N 1.09 -0.13 -0.47 4.33 3.20 -0.27 0.14 116.97 124.85 2w4l h TYR 18 Ca 0.35 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 62.11 2w4l h TYR 18 Cb 0.02 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 2w4l h TYR 18 CO -0.02 -0.07 -0.13 0.74 -1.64 0.00 0.00 178.16 177.04 2w4l h PHE 19 N -0.16 0.98 -0.33 -3.82 0.04 -0.96 0.65 116.94 113.33 2w4l h PHE 19 Ca -0.01 -0.20 -0.11 0.00 2.80 0.00 0.00 57.97 60.44 2w4l h PHE 19 Cb 0.13 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.02 2w4l h PHE 19 CO -0.07 0.95 -0.27 1.98 -0.60 0.00 0.00 178.31 180.31 2w4l h MET 20 N 0.78 0.67 -0.58 1.51 4.05 -1.20 -2.13 114.93 118.03 2w4l h MET 20 Ca 0.12 -0.28 0.02 0.00 -0.28 0.00 0.00 59.70 59.28 2w4l h MET 20 Cb 0.66 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.40 2w4l h MET 20 CO 0.05 0.87 0.36 0.00 0.23 0.00 0.00 176.91 178.42 2w4l h ALA 21 N 1.12 0.75 -0.86 0.39 0.00 -0.15 -1.64 119.26 118.87 2w4l h ALA 21 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2w4l h ALA 21 Cb 0.76 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 2w4l h ALA 21 CO 0.06 0.11 0.56 0.28 0.00 0.00 0.00 179.25 180.25 2w4l h VAL 22 N 0.72 1.23 -0.35 0.00 2.07 -0.61 0.70 116.25 120.01 2w4l h VAL 22 Ca 0.23 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 2w4l h VAL 22 Cb -0.01 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.72 2w4l h VAL 22 CO -0.08 0.22 0.07 0.00 0.02 0.00 0.00 177.57 177.79 2w4l h ALA 23 N 1.44 0.46 -0.52 1.67 0.00 -1.03 -1.22 119.26 120.06 2w4l h ALA 23 Ca 0.31 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 2w4l h ALA 23 Cb -0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2w4l h ALA 23 CO -0.07 0.16 -0.15 0.74 0.00 0.00 0.00 179.25 179.93 2w4l h PHE 24 N 0.41 1.15 -0.56 0.00 0.04 -1.01 -2.71 116.94 114.27 2w4l h PHE 24 Ca 0.11 -0.26 0.04 0.00 2.80 0.00 0.00 57.97 60.66 2w4l h PHE 24 Cb 0.34 -0.28 -0.04 0.00 2.20 0.00 0.00 35.95 38.17 2w4l h PHE 24 CO 0.02 1.08 0.32 1.25 -0.60 0.00 0.00 178.31 180.38 2w4l h LEU 25 N 0.89 0.49 -1.75 1.54 5.85 -0.81 -2.70 115.31 118.83 2w4l h LEU 25 Ca 0.13 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.88 2w4l h LEU 25 Cb 0.73 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 2w4l h LEU 25 CO 0.06 0.34 0.19 0.28 -0.34 0.00 0.00 178.44 178.96 2w4l h SER 26 N 0.62 0.28 -0.69 1.25 0.02 -0.99 -1.62 113.55 112.42 2w4l h SER 26 Ca 0.23 -0.01 0.16 0.00 -0.84 0.00 0.00 61.79 61.34 2w4l h SER 26 Cb 0.08 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 2w4l h SER 26 CO -0.13 0.20 0.47 0.00 -1.14 0.00 0.00 176.83 176.24 2w4l h ALA 27 N 1.83 2.31 0.00 3.77 0.00 -1.17 -2.08 119.26 123.93 2w4l h ALA 27 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2w4l h ALA 27 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2w4l h ALA 27 CO -0.02 -0.50 0.00 1.04 0.00 0.00 0.00 179.25 179.76 2w4l n GLN 28 N -4.43 0.08 0.25 0.00 6.02 -0.61 -1.31 117.38 117.38 2w4l n GLN 28 Ca 0.13 0.21 0.16 0.00 -0.01 0.00 0.00 57.00 57.50 2w4l n GLN 28 Cb 0.60 -1.63 0.66 0.00 1.02 0.00 0.00 30.24 30.89 2w4l n GLN 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2w4l h ARG 29 N 0.00 0.00 -6.79 -1.09 2.47 -1.52 -3.47 114.38 103.99 2w4l h ARG 29 Ca 0.00 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 58.20 2w4l h ARG 29 Cb 0.42 0.00 0.05 0.00 -1.65 0.00 0.00 29.97 28.78 2w4l h ARG 29 CO 0.00 0.00 0.62 0.45 0.56 0.00 0.00 179.97 181.60 2w4l s SER 30 N -5.35 6.89 0.00 7.04 0.15 -0.43 -4.93 113.70 117.07 2w4l s SER 30 Ca 0.02 2.52 0.23 0.00 0.70 0.00 0.00 55.95 59.41 2w4l s SER 30 Cb 0.09 -2.63 0.50 0.00 -1.71 0.00 0.00 66.02 62.27 2w4l s SER 30 CO 0.50 -0.47 1.43 0.29 1.20 0.00 0.00 173.24 176.19 2w4l n LYS 31 N 1.58 2.27 -2.04 5.44 5.02 -1.26 -4.91 118.16 124.27 2w4l n LYS 31 Ca 0.02 -1.91 -0.42 0.00 -2.02 0.00 0.00 58.31 53.98 2w4l n LYS 31 Cb 0.43 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 2w4l n LYS 31 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2w4l s ASP 32 N -1.57 6.69 0.47 4.39 -1.08 -1.26 -4.90 116.67 119.40 2w4l s ASP 32 Ca 0.36 2.26 0.30 0.00 -0.52 0.00 0.00 52.55 54.95 2w4l s ASP 32 Cb 0.21 -2.55 1.12 0.00 -1.46 0.00 0.00 42.92 40.25 2w4l s ASP 32 CO 0.30 -0.88 1.87 1.55 0.52 0.00 0.00 175.17 178.54 2w4l h PRO 33 N 8.92 0.00 0.00 4.34 0.13 -1.92 -3.35 132.00 140.12 2w4l h PRO 33 Ca -0.39 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.53 2w4l h PRO 33 Cb 1.18 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 2w4l h PRO 33 CO 0.94 0.00 -1.83 0.09 -0.23 0.00 0.00 178.00 176.97 2w4l n ASN 34 N -2.90 1.92 -3.69 1.44 4.13 -1.26 -5.01 115.26 109.89 2w4l n ASN 34 Ca 0.02 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.14 2w4l n ASN 34 Cb 0.33 0.90 -0.13 0.00 -1.54 0.00 0.00 39.78 39.33 2w4l n ASN 34 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2w4l s SER 35 N -4.42 0.13 -0.15 6.41 0.15 -1.26 -5.14 113.70 109.43 2w4l s SER 35 Ca -0.06 0.54 0.02 0.00 0.70 0.00 0.00 55.95 57.14 2w4l s SER 35 Cb 0.04 0.53 0.02 0.00 -1.71 0.00 0.00 66.02 64.90 2w4l s SER 35 CO 0.52 -0.21 -0.19 -1.10 1.20 0.00 0.00 173.24 173.46 2w4l s GLN 36 N 1.91 2.76 0.01 5.44 1.11 -1.26 -4.56 119.66 125.07 2w4l s GLN 36 Ca -0.03 -0.75 0.03 0.00 0.01 0.00 0.00 55.36 54.63 2w4l s GLN 36 Cb -0.11 -2.33 -0.01 0.00 -1.01 0.00 0.00 33.01 29.54 2w4l s GLN 36 CO -0.08 -0.12 -0.11 0.08 0.01 0.00 0.00 175.29 175.07 2w4l s VAL 37 N 1.11 0.83 0.13 1.09 1.01 -1.26 -4.93 120.40 118.38 2w4l s VAL 37 Ca -0.01 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.31 2w4l s VAL 37 Cb -0.14 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 2w4l s VAL 37 CO -0.07 0.07 -0.04 -0.83 0.00 0.00 0.00 175.10 174.23 2w4l s GLY 38 N -0.69 0.95 -0.09 4.51 0.00 -1.25 -2.41 107.32 108.34 2w4l s GLY 38 Ca 0.01 -1.45 -0.22 0.00 0.00 0.00 0.00 44.72 43.07 2w4l s GLY 38 CO 0.00 -1.49 0.51 0.00 0.00 0.00 0.00 173.10 172.12 2w4l s ALA 39 N -3.62 -1.30 -0.03 3.20 0.00 -0.23 -3.84 121.76 115.94 2w4l s ALA 39 Ca 0.17 1.05 0.01 0.00 0.00 0.00 0.00 51.96 53.19 2w4l s ALA 39 Cb 0.05 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.94 2w4l s ALA 39 CO -0.01 -0.30 -0.04 0.00 0.00 0.00 0.00 175.76 175.41 2w4l s ILE 41 N 0.67 3.80 -0.01 0.00 1.01 0.16 -0.30 121.20 126.53 2w4l s ILE 41 Ca -0.08 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.19 2w4l s ILE 41 Cb -0.12 -2.62 -0.00 0.00 0.01 0.00 0.00 42.46 39.73 2w4l s ILE 41 CO -0.00 0.54 -0.10 -0.69 0.00 0.00 0.00 174.94 174.69 2w4l s VAL 42 N -0.08 0.78 0.79 2.92 1.01 -0.08 -0.01 120.40 125.72 2w4l s VAL 42 Ca 0.01 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 2w4l s VAL 42 Cb -0.13 -0.66 0.16 0.00 0.00 0.00 0.00 36.38 35.75 2w4l s VAL 42 CO 0.03 0.23 1.08 -0.46 0.00 0.00 0.00 175.10 175.97 2w4l n ASN 43 N 2.96 1.18 0.22 3.32 0.23 -0.87 -0.51 115.26 121.80 2w4l n ASN 43 Ca -0.15 -2.06 0.15 0.00 -0.53 0.00 0.00 54.58 52.00 2w4l n ASN 43 Cb 0.56 -0.72 0.67 0.00 -2.08 0.00 0.00 39.78 38.21 2w4l n ASN 43 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2w4l h SER 44 N -0.80 0.00 -0.25 0.53 4.64 -1.91 -2.11 113.55 113.65 2w4l h SER 44 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2w4l h SER 44 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2w4l h SER 44 CO 0.36 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.70 2w4l n GLU 45 N -2.70 1.69 -2.55 4.77 1.02 -1.26 -4.92 120.64 116.69 2w4l n GLU 45 Ca 0.00 -1.06 -0.20 0.00 -0.02 0.00 0.00 57.16 55.89 2w4l n GLU 45 Cb 0.22 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 2w4l n GLU 45 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2w4l n ASN 46 N 0.32 -5.67 -4.80 1.62 3.02 -0.79 -5.02 115.26 103.94 2w4l n ASN 46 Ca 0.12 -0.09 -0.38 0.00 -0.03 0.00 0.00 54.58 54.20 2w4l n ASN 46 Cb 0.27 -4.64 -0.06 0.00 -0.61 0.00 0.00 39.78 34.75 2w4l n ASN 46 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2w4l s LYS 47 N -5.17 4.14 -0.05 3.52 1.02 -1.26 -4.92 119.74 117.02 2w4l s LYS 47 Ca 0.09 0.61 -0.30 0.00 0.02 0.00 0.00 55.97 56.39 2w4l s LYS 47 Cb -0.04 -3.26 -0.04 0.00 -0.52 0.00 0.00 37.83 33.97 2w4l s LYS 47 CO 0.11 0.58 1.32 0.42 -0.92 0.00 0.00 175.35 176.86 2w4l s ILE 48 N -0.84 4.00 -0.06 2.17 1.01 -1.26 -2.04 121.20 124.18 2w4l s ILE 48 Ca 0.27 1.32 0.11 0.00 0.00 0.00 0.00 60.65 62.35 2w4l s ILE 48 Cb -0.18 -3.85 -0.16 0.00 0.01 0.00 0.00 42.46 38.28 2w4l s ILE 48 CO 0.16 -0.03 0.16 1.33 0.00 0.00 0.00 174.94 176.56 2w4l n VAL 49 N 4.83 0.33 -3.64 2.92 0.24 0.99 -4.97 118.33 119.02 2w4l n VAL 49 Ca 0.13 -0.35 -0.15 0.00 -2.04 0.00 0.00 64.34 61.93 2w4l n VAL 49 Cb 0.45 -0.19 -0.08 0.00 -1.47 0.00 0.00 33.84 32.55 2w4l n VAL 49 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2w4l s GLY 50 N -3.76 -0.45 0.04 7.63 0.00 -1.11 -4.28 107.32 105.39 2w4l s GLY 50 Ca -0.05 1.40 0.05 0.00 0.00 0.00 0.00 44.72 46.13 2w4l s GLY 50 CO 0.46 1.13 -0.16 -0.42 0.00 0.00 0.00 173.10 174.12 2w4l s ILE 51 N -0.33 1.24 0.06 0.90 1.01 -1.26 0.38 121.20 123.19 2w4l s ILE 51 Ca -0.05 -1.02 -0.08 0.00 0.00 0.00 0.00 60.65 59.50 2w4l s ILE 51 Cb -0.03 -1.10 -0.00 0.00 0.01 0.00 0.00 42.46 41.33 2w4l s ILE 51 CO 0.04 0.07 0.17 -0.83 0.00 0.00 0.00 174.94 174.40 2w4l s GLY 52 N -1.09 0.08 0.07 6.18 0.00 -0.14 -4.09 107.32 108.33 2w4l s GLY 52 Ca 0.03 -0.45 -0.05 0.00 0.00 0.00 0.00 44.72 44.25 2w4l s GLY 52 CO 0.01 -0.62 0.09 -2.52 0.00 0.00 0.00 173.10 170.06 2w4l s TYR 53 N -3.02 0.31 0.33 1.90 -0.85 -1.26 -1.06 117.35 113.69 2w4l s TYR 53 Ca -0.01 -0.78 -0.28 0.00 -0.52 0.00 0.00 57.07 55.48 2w4l s TYR 53 Cb 0.01 -0.21 -0.09 0.00 0.38 0.00 0.00 41.96 42.05 2w4l s TYR 53 CO -0.06 -0.46 1.12 0.54 -1.52 0.00 0.00 175.55 175.17 2w4l s ASN 54 N -2.81 6.99 0.00 -0.18 4.22 -1.01 -4.24 114.94 117.91 2w4l s ASN 54 Ca 0.05 2.29 0.00 0.00 -2.14 0.00 0.00 52.86 53.05 2w4l s ASN 54 Cb 0.06 -2.62 0.00 0.00 1.28 0.00 0.00 41.25 39.97 2w4l s ASN 54 CO -0.10 -0.34 0.00 0.61 -2.04 0.00 0.00 177.10 175.23 2w4l n GLY 55 N 0.91 -1.27 3.89 0.45 0.00 -0.75 -4.46 105.19 103.95 2w4l n GLY 55 Ca 0.01 -0.88 -0.29 0.00 0.00 0.00 0.00 46.02 44.86 2w4l n GLY 55 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2w4l s MET 56 N -0.44 3.65 0.94 1.61 -1.94 -1.26 0.54 119.30 122.39 2w4l s MET 56 Ca 0.00 0.27 -0.11 0.00 -1.71 0.00 0.00 55.69 54.14 2w4l s MET 56 Cb 0.00 -2.42 0.10 0.00 2.01 0.00 0.00 34.83 34.52 2w4l s MET 56 CO 0.00 -0.08 0.81 -2.30 -0.01 0.00 0.00 175.02 173.44 2w4l n PRO 57 N -1.71 -0.44 -1.65 2.03 -0.02 -1.26 -4.83 135.00 127.13 2w4l n PRO 57 Ca 0.01 -0.07 -0.47 0.00 -2.02 0.00 0.00 63.50 60.95 2w4l n PRO 57 Cb 0.55 -2.14 -0.04 0.00 -0.02 0.00 0.00 33.50 31.85 2w4l n PRO 57 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2w4l n ASN 58 N -2.97 2.60 0.00 2.55 3.02 -1.26 -1.56 115.26 117.64 2w4l n ASN 58 Ca 0.09 1.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.76 2w4l n ASN 58 Cb 0.53 -1.38 0.00 0.00 -0.61 0.00 0.00 39.78 38.32 2w4l n ASN 58 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2w4l n GLY 59 N 2.67 0.92 0.00 7.41 0.00 -1.26 -5.02 105.19 109.90 2w4l n GLY 59 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2w4l n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w4l n SER 61 N 0.00 0.00 -1.75 0.00 2.88 -1.26 -4.72 113.62 108.77 2w4l n SER 61 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 2w4l n SER 61 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 2w4l n SER 61 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2w4l n ASP 62 N 0.00 5.42 0.00 -3.46 2.03 -1.26 -4.57 116.55 114.71 2w4l n ASP 62 Ca 0.00 -2.50 0.00 0.00 0.52 0.00 0.00 54.79 52.81 2w4l n ASP 62 Cb 0.00 -1.24 0.00 0.00 -0.72 0.00 0.00 41.12 39.16 2w4l n ASP 62 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2w4l n ASP 63 N 1.79 -0.74 0.02 1.67 5.68 -1.26 -4.98 116.55 118.74 2w4l n ASP 63 Ca 0.20 0.00 -0.20 0.00 -0.50 0.00 0.00 54.79 54.29 2w4l n ASP 63 Cb 0.67 -0.12 -0.14 0.00 -1.14 0.00 0.00 41.12 40.38 2w4l n ASP 63 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 2w4l h VAL 64 N 0.00 0.78 -3.66 2.12 2.07 -1.91 -3.47 116.25 112.18 2w4l h VAL 64 Ca 0.00 -2.47 -0.50 0.00 0.82 0.00 0.00 66.70 64.54 2w4l h VAL 64 Cb 0.00 2.58 -0.03 0.00 -1.52 0.00 0.00 31.29 32.32 2w4l h VAL 64 CO 0.00 0.83 0.09 -0.76 0.02 0.00 0.00 177.57 177.76 2w4l s LEU 65 N -6.97 4.17 0.37 2.57 1.43 -1.26 -5.02 118.68 113.97 2w4l s LEU 65 Ca -0.17 1.32 -0.26 0.00 -1.03 0.00 0.00 54.13 53.99 2w4l s LEU 65 Cb 0.07 -3.88 -0.09 0.00 0.03 0.00 0.00 46.19 42.32 2w4l s LEU 65 CO 0.80 -0.11 1.09 -2.16 0.23 0.00 0.00 176.35 176.20 2w4l s PRO 66 N -2.59 4.26 0.00 1.29 0.04 -1.26 -4.94 135.00 131.79 2w4l s PRO 66 Ca 0.50 1.67 0.17 0.00 0.04 0.00 0.00 61.00 63.38 2w4l s PRO 66 Cb -0.13 -2.75 -0.06 0.00 0.04 0.00 0.00 34.50 31.61 2w4l s PRO 66 CO 0.19 -0.09 0.85 0.91 0.04 0.00 0.00 177.00 178.90 2w4l n TRP 67 N 0.30 0.00 -2.25 0.56 7.02 -1.26 -3.55 117.44 118.26 2w4l n TRP 67 Ca 0.03 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.17 2w4l n TRP 67 Cb 0.48 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.37 2w4l n TRP 67 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 2w4l s ARG 68 N -2.23 3.38 0.02 -0.99 1.70 -1.26 -4.58 118.95 114.99 2w4l s ARG 68 Ca 0.12 1.52 0.17 0.00 -0.47 0.00 0.00 55.73 57.07 2w4l s ARG 68 Cb 0.14 -2.02 -0.17 0.00 -0.57 0.00 0.00 34.95 32.33 2w4l s ARG 68 CO 0.53 -0.81 0.70 0.54 -1.08 0.00 0.00 175.30 175.17 2w4l n ARG 69 N -1.40 0.63 -4.15 3.89 1.74 -1.26 -1.48 116.66 114.63 2w4l n ARG 69 Ca 0.11 0.16 -0.16 0.00 -0.77 0.00 0.00 57.85 57.18 2w4l n ARG 69 Cb 0.51 -1.75 -0.12 0.00 -1.02 0.00 0.00 32.46 30.09 2w4l n ARG 69 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2w4l s THR 70 N -2.93 0.88 0.18 0.55 -4.23 -1.26 -4.86 115.64 103.96 2w4l s THR 70 Ca -0.04 -1.16 -0.23 0.00 -1.18 0.00 0.00 61.69 59.08 2w4l s THR 70 Cb 0.09 -0.87 0.07 0.00 1.34 0.00 0.00 72.50 73.13 2w4l s THR 70 CO 0.82 -0.25 1.01 0.00 -0.54 0.00 0.00 174.62 175.66 2w4l s ALA 71 N -1.24 -1.60 0.12 3.99 0.00 -1.26 -4.87 121.76 116.89 2w4l s ALA 71 Ca -0.05 -0.17 -0.33 0.00 0.00 0.00 0.00 51.96 51.42 2w4l s ALA 71 Cb -0.10 0.70 -0.12 0.00 0.00 0.00 0.00 23.12 23.61 2w4l s ALA 71 CO 0.01 -1.06 1.56 1.49 0.00 0.00 0.00 175.76 177.77 2w4l h GLU 72 N 2.00 -0.59 -5.75 0.00 4.22 -2.01 -3.42 114.58 109.02 2w4l h GLU 72 Ca -0.27 0.04 -0.49 0.00 0.08 0.00 0.00 59.36 58.73 2w4l h GLU 72 Cb 1.22 0.14 -0.16 0.00 0.50 0.00 0.00 28.75 30.45 2w4l h GLU 72 CO 0.32 -0.40 -0.75 0.54 -2.18 0.00 0.00 179.01 176.54 2w4l s ASN 73 N -4.80 2.68 0.58 1.04 4.22 -1.26 -5.05 114.94 112.36 2w4l s ASN 73 Ca -0.16 -0.96 0.28 0.00 -2.14 0.00 0.00 52.86 49.88 2w4l s ASN 73 Cb 0.07 -0.16 1.66 0.00 1.28 0.00 0.00 41.25 44.11 2w4l s ASN 73 CO 0.62 -0.10 2.14 0.07 -2.04 0.00 0.00 177.10 177.79 2w4l h LYS 74 N 2.81 0.00 0.00 3.55 2.10 -1.96 -1.81 116.57 121.26 2w4l h LYS 74 Ca -0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 2w4l h LYS 74 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 2w4l h LYS 74 CO 0.57 0.00 0.00 -0.07 -2.00 0.00 0.00 179.45 177.95 2w4l h LEU 75 N 0.00 0.00 -1.31 7.07 4.07 -1.97 -0.29 115.31 122.88 2w4l h LEU 75 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.02 2w4l h LEU 75 Cb 0.33 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.07 2w4l h LEU 75 CO -0.00 0.00 -0.06 0.47 -1.08 0.00 0.00 178.44 177.77 2w4l n ASP 76 N -2.46 2.10 -4.97 -0.43 8.00 -0.68 -4.92 116.55 113.18 2w4l n ASP 76 Ca -0.00 -1.65 -0.18 0.00 0.71 0.00 0.00 54.79 53.67 2w4l n ASP 76 Cb 0.13 0.05 -0.00 0.00 -0.02 0.00 0.00 41.12 41.27 2w4l n ASP 76 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2w4l s THR 77 N -2.08 2.95 -0.42 -3.53 -4.23 -0.12 -4.60 115.64 103.61 2w4l s THR 77 Ca 0.31 -1.10 0.26 0.00 -1.18 0.00 0.00 61.69 59.99 2w4l s THR 77 Cb 0.20 -3.02 0.32 0.00 1.34 0.00 0.00 72.50 71.35 2w4l s THR 77 CO 0.35 -0.01 1.74 0.07 -0.54 0.00 0.00 174.62 176.24 2w4l h LYS 78 N 0.76 0.00 -0.41 3.99 2.10 -1.31 -3.38 116.57 118.32 2w4l h LYS 78 Ca -0.41 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.18 2w4l h LYS 78 Cb 1.28 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.59 2w4l h LYS 78 CO 0.49 0.00 0.00 1.88 -2.00 0.00 0.00 179.45 179.82 2w4l h TYR 79 N 0.00 0.69 0.00 0.07 0.05 -1.84 -0.04 116.97 115.91 2w4l h TYR 79 Ca 0.00 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.70 2w4l h TYR 79 Cb 0.75 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.29 2w4l h TYR 79 CO 0.00 0.65 0.00 -2.30 -1.05 0.00 0.00 178.16 175.46 2w4l n PRO 80 N -4.24 0.12 -0.01 4.88 -0.02 -1.26 -4.08 135.00 130.39 2w4l n PRO 80 Ca 0.02 0.39 -0.01 0.00 -2.02 0.00 0.00 63.50 61.88 2w4l n PRO 80 Cb 0.27 -1.75 -0.02 0.00 -0.02 0.00 0.00 33.50 31.98 2w4l n PRO 80 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2w4l n TYR 81 N -1.99 0.00 -2.64 6.00 4.01 -0.46 -5.08 117.16 117.00 2w4l n TYR 81 Ca 0.02 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.41 2w4l n TYR 81 Cb 0.18 -0.13 -0.05 0.00 -0.31 0.00 0.00 39.34 39.04 2w4l n TYR 81 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2w4l s VAL 82 N -2.06 3.96 -0.15 -0.72 0.11 -0.15 -4.27 120.40 117.12 2w4l s VAL 82 Ca -0.01 1.39 -0.03 0.00 -2.93 0.00 0.00 61.98 60.40 2w4l s VAL 82 Cb 0.01 -3.67 -0.03 0.00 -1.53 0.00 0.00 36.38 31.16 2w4l s VAL 82 CO 0.11 -0.09 -0.05 0.00 -3.33 0.00 0.00 175.10 171.73 2w4l s HIS 84 N 0.26 2.86 0.25 0.00 3.76 -1.26 -1.81 115.29 119.35 2w4l s HIS 84 Ca -0.04 1.51 -0.03 0.00 -0.15 0.00 0.00 55.06 56.35 2w4l s HIS 84 Cb -0.14 -3.04 0.48 0.00 1.11 0.00 0.00 32.58 30.99 2w4l s HIS 84 CO 0.03 -1.37 1.73 0.00 -0.85 0.00 0.00 174.74 174.28 2w4l h ALA 85 N -0.00 1.09 -0.38 -1.40 0.00 -1.84 -2.12 119.26 114.60 2w4l h ALA 85 Ca -0.46 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2w4l h ALA 85 Cb 1.23 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 2w4l h ALA 85 CO 0.56 -0.21 0.24 0.93 0.00 0.00 0.00 179.25 180.76 2w4l h GLU 86 N 0.45 0.52 -0.30 0.00 3.07 -1.91 0.12 114.58 116.54 2w4l h GLU 86 Ca 0.43 -0.04 0.04 0.00 -0.50 0.00 0.00 59.36 59.29 2w4l h GLU 86 Cb 0.66 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 28.42 2w4l h GLU 86 CO -0.41 0.38 0.06 1.25 -1.40 0.00 0.00 179.01 178.88 2w4l h LEU 87 N 0.51 0.01 -0.54 1.33 6.46 -1.83 -2.41 115.31 118.84 2w4l h LEU 87 Ca 0.14 0.05 -0.10 0.00 -0.12 0.00 0.00 57.88 57.85 2w4l h LEU 87 Cb -0.01 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 39.96 2w4l h LEU 87 CO -0.03 0.04 -0.05 0.78 -0.62 0.00 0.00 178.44 178.56 2w4l h ASN 88 N 0.17 0.98 -0.60 1.25 2.35 -0.87 -1.14 115.58 117.71 2w4l h ASN 88 Ca 0.14 -0.33 0.07 0.00 -0.55 0.00 0.00 56.30 55.63 2w4l h ASN 88 Cb 0.15 -0.26 -0.06 0.00 0.05 0.00 0.00 38.32 38.19 2w4l h ASN 88 CO -0.18 1.07 0.28 0.00 -1.65 0.00 0.00 177.43 176.95 2w4l h ALA 89 N 0.94 0.79 -0.24 -0.83 0.00 -0.68 0.26 119.26 119.49 2w4l h ALA 89 Ca 0.15 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2w4l h ALA 89 Cb 0.61 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2w4l h ALA 89 CO 0.04 -0.10 -0.02 0.82 0.00 0.00 0.00 179.25 179.99 2w4l h ILE 90 N 0.52 1.27 0.00 0.00 2.04 -1.23 -2.82 117.51 117.28 2w4l h ILE 90 Ca 0.29 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 65.19 2w4l h ILE 90 Cb 0.27 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 2w4l h ILE 90 CO -0.23 0.30 0.00 0.24 0.00 0.00 0.00 178.15 178.46 2w4l h MET 91 N 0.20 0.00 -0.02 2.37 2.86 -0.97 -3.17 114.93 116.20 2w4l h MET 91 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2w4l h MET 91 Cb 0.45 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.11 2w4l h MET 91 CO 0.02 0.00 0.00 0.09 1.06 0.00 0.00 176.91 178.08 2w4l n ASN 92 N -2.57 0.94 -2.61 1.22 3.02 0.88 -5.07 115.26 111.07 2w4l n ASN 92 Ca 0.02 -1.35 0.01 0.00 -0.03 0.00 0.00 54.58 53.23 2w4l n ASN 92 Cb 0.28 -0.01 0.01 0.00 -0.61 0.00 0.00 39.78 39.45 2w4l n ASN 92 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2w4l n LYS 93 N -0.25 0.16 -1.90 3.52 4.81 -1.20 -4.74 118.16 118.56 2w4l n LYS 93 Ca 0.20 -0.53 -0.29 0.00 -0.87 0.00 0.00 58.31 56.82 2w4l n LYS 93 Cb 0.25 0.83 0.10 0.00 0.02 0.00 0.00 35.03 36.24 2w4l n LYS 93 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 2w4l s ASP 97 N -2.62 4.41 -0.24 3.14 -4.77 -1.26 -4.75 116.67 110.58 2w4l s ASP 97 Ca 0.17 0.75 0.14 0.00 -3.30 0.00 0.00 52.55 50.31 2w4l s ASP 97 Cb -0.01 -1.22 0.61 0.00 -1.09 0.00 0.00 42.92 41.21 2w4l s ASP 97 CO 0.00 -1.96 1.56 1.33 0.70 0.00 0.00 175.17 176.80 2w4l n VAL 98 N -3.35 2.54 -2.16 2.11 0.24 -1.26 -5.01 118.33 111.45 2w4l n VAL 98 Ca 0.08 -1.91 -0.42 0.00 -2.04 0.00 0.00 64.34 60.05 2w4l n VAL 98 Cb 0.61 -0.29 -0.03 0.00 -1.47 0.00 0.00 33.84 32.66 2w4l n VAL 98 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2w4l s LYS 99 N -2.93 4.28 0.00 7.34 1.02 -1.24 -2.40 119.74 125.81 2w4l s LYS 99 Ca 0.47 2.06 0.00 0.00 0.02 0.00 0.00 55.97 58.52 2w4l s LYS 99 Cb 0.38 -3.48 0.00 0.00 -0.52 0.00 0.00 37.83 34.22 2w4l s LYS 99 CO 0.09 -0.56 0.00 0.41 -0.92 0.00 0.00 175.35 174.38 2w4l n GLY 100 N 3.65 0.72 3.97 -3.33 0.00 -0.48 -4.97 105.19 104.76 2w4l n GLY 100 Ca 0.13 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 2w4l n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w4l s SER 102 N -4.47 3.35 -0.16 0.00 0.01 0.34 -0.99 113.70 111.79 2w4l s SER 102 Ca 0.58 -0.48 -0.02 0.00 1.31 0.00 0.00 55.95 57.34 2w4l s SER 102 Cb -0.10 -0.42 -0.02 0.00 0.21 0.00 0.00 66.02 65.69 2w4l s SER 102 CO 0.39 0.28 -0.09 -0.32 0.41 0.00 0.00 173.24 173.92 2w4l s MET 103 N -1.05 3.44 -0.28 12.44 1.75 0.88 -0.91 119.30 135.57 2w4l s MET 103 Ca 0.12 -0.64 -0.14 0.00 -1.25 0.00 0.00 55.69 53.78 2w4l s MET 103 Cb -0.10 -2.78 -0.04 0.00 2.84 0.00 0.00 34.83 34.76 2w4l s MET 103 CO 0.02 0.12 0.32 0.71 -0.65 0.00 0.00 175.02 175.54 2w4l s TYR 104 N 0.62 3.23 0.06 4.11 2.02 0.59 0.03 117.35 128.01 2w4l s TYR 104 Ca -0.05 0.26 0.06 0.00 -0.37 0.00 0.00 57.07 56.97 2w4l s TYR 104 Cb -0.15 -2.53 -0.03 0.00 -0.40 0.00 0.00 41.96 38.85 2w4l s TYR 104 CO 0.03 -0.24 -0.17 0.14 -1.57 0.00 0.00 175.55 173.74 2w4l s VAL 105 N 1.97 1.37 0.04 0.71 -7.23 0.03 -1.52 120.40 115.76 2w4l s VAL 105 Ca 0.12 -1.23 -0.27 0.00 -1.81 0.00 0.00 61.98 58.79 2w4l s VAL 105 Cb -0.16 -1.24 -0.17 0.00 0.56 0.00 0.00 36.38 35.37 2w4l s VAL 105 CO 0.11 -0.02 1.40 0.00 -0.31 0.00 0.00 175.10 176.28 2w4l h ALA 106 N 4.58 -0.51 -3.76 1.32 0.00 -1.85 -2.19 119.26 116.85 2w4l h ALA 106 Ca -0.41 -0.17 -0.68 0.00 0.00 0.00 0.00 54.91 53.65 2w4l h ALA 106 Cb 1.18 0.20 -0.19 0.00 0.00 0.00 0.00 17.79 18.98 2w4l h ALA 106 CO 0.42 -0.68 -0.75 -1.17 0.00 0.00 0.00 179.25 177.07 2w4l s LEU 107 N -9.74 2.94 0.18 0.00 2.96 -1.26 0.06 118.68 113.81 2w4l s LEU 107 Ca -0.15 -0.27 -0.33 0.00 -0.22 0.00 0.00 54.13 53.16 2w4l s LEU 107 Cb 0.03 -1.70 -0.14 0.00 0.50 0.00 0.00 46.19 44.88 2w4l s LEU 107 CO 0.58 0.27 1.54 0.33 -1.32 0.00 0.00 176.35 177.74 2w4l n PHE 108 N 1.53 2.25 -2.03 5.38 7.35 0.33 -4.89 117.46 127.38 2w4l n PHE 108 Ca -0.16 0.31 -0.35 0.00 -0.76 0.00 0.00 57.45 56.49 2w4l n PHE 108 Cb 0.52 -2.52 0.03 0.00 0.35 0.00 0.00 39.48 37.86 2w4l n PHE 108 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 2w4l s PRO 109 N 0.59 3.03 0.90 -7.13 0.02 -1.26 -5.02 135.00 126.13 2w4l s PRO 109 Ca 0.76 1.69 -0.12 0.00 0.02 0.00 0.00 61.00 63.36 2w4l s PRO 109 Cb -0.67 -1.95 0.13 0.00 0.02 0.00 0.00 34.50 32.02 2w4l s PRO 109 CO 0.41 -1.13 1.11 0.00 -0.33 0.00 0.00 177.00 177.06 2w4l h ASN 111 N -1.47 0.00 -0.28 0.00 -1.07 -1.90 -0.09 115.58 110.77 2w4l h ASN 111 Ca -0.50 0.00 -0.11 0.00 0.07 0.00 0.00 56.30 55.76 2w4l h ASN 111 Cb 1.31 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.55 2w4l h ASN 111 CO 0.59 0.17 -0.26 -0.33 0.07 0.00 0.00 177.43 177.67 2w4l h GLU 112 N 0.00 0.67 -0.24 4.14 4.39 -1.92 -2.23 114.58 119.39 2w4l h GLU 112 Ca -0.00 -0.35 -0.09 0.00 0.34 0.00 0.00 59.36 59.26 2w4l h GLU 112 Cb 0.31 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2w4l h GLU 112 CO 0.02 0.96 -0.22 0.00 -1.16 0.00 0.00 179.01 178.61 2w4l h ALA 114 N 1.37 0.88 -0.52 0.00 0.00 -0.81 0.85 119.26 121.03 2w4l h ALA 114 Ca 0.06 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2w4l h ALA 114 Cb 0.60 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2w4l h ALA 114 CO 0.04 0.12 0.29 0.87 0.00 0.00 0.00 179.25 180.57 2w4l h LYS 115 N 0.75 0.55 -0.28 0.00 1.57 -1.24 -0.72 116.57 117.20 2w4l h LYS 115 Ca 0.28 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.96 2w4l h LYS 115 Cb 0.10 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2w4l h LYS 115 CO -0.14 0.36 -0.08 1.25 -0.57 0.00 0.00 179.45 180.27 2w4l h LEU 116 N 0.57 0.56 -0.34 2.94 5.85 -1.31 -1.23 115.31 122.34 2w4l h LEU 116 Ca 0.22 -0.38 0.04 0.00 0.84 0.00 0.00 57.88 58.60 2w4l h LEU 116 Cb 0.08 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 2w4l h LEU 116 CO -0.13 0.80 0.12 0.40 -0.34 0.00 0.00 178.44 179.30 2w4l h ILE 117 N 0.30 0.91 -0.21 4.05 2.04 -0.66 0.24 117.51 124.19 2w4l h ILE 117 Ca 0.07 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 2w4l h ILE 117 Cb 0.57 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 2w4l h ILE 117 CO 0.03 0.05 0.13 0.40 0.00 0.00 0.00 178.15 178.76 2w4l h ILE 118 N 0.27 1.08 0.00 -0.67 2.04 -1.06 -2.41 117.51 116.76 2w4l h ILE 118 Ca 0.15 -0.21 -0.08 0.00 1.00 0.00 0.00 64.86 65.73 2w4l h ILE 118 Cb 0.12 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2w4l h ILE 118 CO -0.15 0.08 -0.38 1.56 0.00 0.00 0.00 178.15 179.26 2w4l h GLN 119 N 0.25 0.00 0.00 2.37 1.08 -0.92 -1.83 115.11 116.06 2w4l h GLN 119 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 2w4l h GLN 119 Cb 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2w4l h GLN 119 CO -0.01 0.38 0.00 0.00 -0.95 0.00 0.00 178.83 178.25 2w4l h ALA 120 N 1.62 1.00 0.00 3.87 0.00 -0.36 -3.47 119.26 121.92 2w4l h ALA 120 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2w4l h ALA 120 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2w4l h ALA 120 CO 0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.71 2w4l n GLY 121 N 0.28 0.64 3.75 0.00 0.00 -0.69 -3.60 105.19 105.57 2w4l n GLY 121 Ca 0.02 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 2w4l n GLY 121 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2w4l s ILE 122 N -2.00 2.65 -0.58 -0.61 1.01 -0.94 -1.38 121.20 119.35 2w4l s ILE 122 Ca 0.00 0.55 0.10 0.00 0.00 0.00 0.00 60.65 61.31 2w4l s ILE 122 Cb 0.00 -3.35 -0.09 0.00 0.01 0.00 0.00 42.46 39.03 2w4l s ILE 122 CO 0.00 0.09 0.48 0.29 0.00 0.00 0.00 174.94 175.80 2w4l n LYS 123 N 2.28 3.31 -3.74 2.79 4.76 -0.16 -4.64 118.16 122.76 2w4l n LYS 123 Ca 0.07 -0.13 -0.12 0.00 -2.87 0.00 0.00 58.31 55.25 2w4l n LYS 123 Cb 0.40 -1.01 -0.12 0.00 -1.84 0.00 0.00 35.03 32.47 2w4l n LYS 123 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2w4l s GLU 124 N -1.84 0.27 -0.14 1.97 2.12 -1.21 -1.70 118.70 118.16 2w4l s GLU 124 Ca 0.05 0.51 0.01 0.00 0.36 0.00 0.00 54.97 55.89 2w4l s GLU 124 Cb 0.08 -0.01 -0.00 0.00 0.26 0.00 0.00 34.13 34.45 2w4l s GLU 124 CO 0.39 -0.12 -0.16 0.08 -0.54 0.00 0.00 175.26 174.90 2w4l s VAL 125 N 0.88 2.63 -0.25 3.70 1.01 -0.28 -0.08 120.40 128.01 2w4l s VAL 125 Ca -0.06 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 2w4l s VAL 125 Cb -0.07 -2.09 0.03 0.00 0.00 0.00 0.00 36.38 34.25 2w4l s VAL 125 CO -0.06 0.53 -0.07 -0.63 0.00 0.00 0.00 175.10 174.87 2w4l s ILE 126 N 0.64 2.80 0.15 2.22 1.01 0.10 -1.64 121.20 126.49 2w4l s ILE 126 Ca -0.09 -1.06 0.10 0.00 0.00 0.00 0.00 60.65 59.60 2w4l s ILE 126 Cb -0.16 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 2w4l s ILE 126 CO 0.02 0.19 -0.21 0.72 0.00 0.00 0.00 174.94 175.67 2w4l s PHE 127 N 1.31 2.43 -0.16 3.97 -0.12 -0.83 -0.79 117.98 123.79 2w4l s PHE 127 Ca -0.00 -0.31 -0.21 0.00 -0.05 0.00 0.00 56.93 56.36 2w4l s PHE 127 Cb -0.17 -1.26 -0.18 0.00 -0.63 0.00 0.00 43.02 40.79 2w4l s PHE 127 CO -0.05 0.43 0.38 1.98 -0.05 0.00 0.00 175.22 177.91 2w4l h MET 128 N 3.50 0.00 -6.35 1.99 1.85 -0.39 0.64 114.93 116.16 2w4l h MET 128 Ca -0.49 0.00 -0.59 0.00 -0.61 0.00 0.00 59.70 58.01 2w4l h MET 128 Cb 1.19 0.00 -0.22 0.00 0.43 0.00 0.00 31.60 32.99 2w4l h MET 128 CO 0.46 0.76 -0.84 0.45 -0.40 0.00 0.00 176.91 177.34 2w4l s SER 129 N -6.29 2.73 -0.29 1.39 0.15 0.11 -4.63 113.70 106.86 2w4l s SER 129 Ca -0.19 -0.68 0.18 0.00 0.70 0.00 0.00 55.95 55.96 2w4l s SER 129 Cb 0.01 -0.17 0.48 0.00 -1.71 0.00 0.00 66.02 64.63 2w4l s SER 129 CO 0.52 0.10 1.07 -0.67 1.20 0.00 0.00 173.24 175.46 2w4l n ASP 130 N 1.13 2.15 0.22 5.45 2.03 -1.26 -0.51 116.55 125.75 2w4l n ASP 130 Ca -0.19 -2.55 0.15 0.00 0.52 0.00 0.00 54.79 52.72 2w4l n ASP 130 Cb 0.53 -0.48 0.65 0.00 -0.72 0.00 0.00 41.12 41.11 2w4l n ASP 130 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 2w4l h LYS 131 N 2.67 0.00 -0.84 -0.67 2.10 -1.97 -2.25 116.57 115.61 2w4l h LYS 131 Ca -0.04 0.00 -0.49 0.00 -2.00 0.00 0.00 60.65 58.12 2w4l h LYS 131 Cb 1.25 0.00 -0.27 0.00 -0.90 0.00 0.00 32.23 32.31 2w4l h LYS 131 CO 0.39 0.00 0.44 0.66 -2.00 0.00 0.00 179.45 178.94 2w4l n TYR 132 N -2.68 2.66 -0.28 0.07 4.01 -1.26 -4.78 117.16 114.90 2w4l n TYR 132 Ca 0.01 -2.17 0.06 0.00 -0.16 0.00 0.00 57.90 55.63 2w4l n TYR 132 Cb 0.23 -0.95 0.20 0.00 -0.31 0.00 0.00 39.34 38.52 2w4l n TYR 132 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2w4l h HIS 133 N 1.38 0.69 -0.00 -0.72 2.76 -1.82 -1.26 115.15 116.17 2w4l h HIS 133 Ca 0.52 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.72 2w4l h HIS 133 Cb 1.91 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 30.69 2w4l h HIS 133 CO 1.37 0.16 -0.04 -0.25 -1.30 0.00 0.00 177.93 177.87 2w4l n ASP 134 N -4.90 0.28 -4.73 3.26 8.00 -1.26 -4.12 116.55 113.07 2w4l n ASP 134 Ca 0.16 -0.62 -0.32 0.00 0.71 0.00 0.00 54.79 54.71 2w4l n ASP 134 Cb 0.41 -0.11 0.11 0.00 -0.02 0.00 0.00 41.12 41.50 2w4l n ASP 134 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2w4l s SER 135 N -2.35 4.05 0.22 -2.24 1.04 -0.48 -4.87 113.70 109.07 2w4l s SER 135 Ca 0.34 2.08 -0.07 0.00 0.48 0.00 0.00 55.95 58.79 2w4l s SER 135 Cb 0.21 -2.56 0.17 0.00 0.10 0.00 0.00 66.02 63.94 2w4l s SER 135 CO 0.43 -2.35 1.76 0.44 0.98 0.00 0.00 173.24 174.51 2w4l h ASP 136 N -0.98 1.06 -0.30 7.02 3.32 -1.89 -1.24 116.42 123.41 2w4l h ASP 136 Ca -0.45 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.40 2w4l h ASP 136 Cb 1.26 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 2w4l h ASP 136 CO 0.48 0.98 0.16 -0.33 -1.72 0.00 0.00 179.24 178.81 2w4l h GLU 137 N 1.10 0.42 -0.34 3.56 3.07 -1.92 0.41 114.58 120.88 2w4l h GLU 137 Ca 0.24 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 58.97 2w4l h GLU 137 Cb 0.29 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 2w4l h GLU 137 CO -0.01 0.37 -0.09 0.00 -1.40 0.00 0.00 179.01 177.88 2w4l h ALA 138 N 1.02 0.47 -0.35 3.43 0.00 -1.77 -1.82 119.26 120.25 2w4l h ALA 138 Ca 0.10 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2w4l h ALA 138 Cb 0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2w4l h ALA 138 CO -0.02 0.32 0.22 1.15 0.00 0.00 0.00 179.25 180.92 2w4l h THR 139 N 0.45 1.10 -0.79 0.00 2.02 -1.08 -1.11 112.91 113.50 2w4l h THR 139 Ca 0.09 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 2w4l h THR 139 Cb 0.59 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 2w4l h THR 139 CO 0.03 0.10 0.38 0.00 0.37 0.00 0.00 175.52 176.41 2w4l h ALA 140 N 1.11 1.01 -0.41 6.16 0.00 -0.88 -1.65 119.26 124.61 2w4l h ALA 140 Ca 0.13 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2w4l h ALA 140 Cb -0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 2w4l h ALA 140 CO -0.03 0.58 0.24 0.00 0.00 0.00 0.00 179.25 180.04 2w4l h ALA 141 N 1.20 0.52 -0.35 0.00 0.00 -1.01 -0.98 119.26 118.64 2w4l h ALA 141 Ca 0.27 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2w4l h ALA 141 Cb 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2w4l h ALA 141 CO -0.03 -0.09 0.12 0.00 0.00 0.00 0.00 179.25 179.24 2w4l h ARG 142 N 0.49 0.53 -0.28 0.00 3.08 -0.86 -1.10 114.38 116.23 2w4l h ARG 142 Ca 0.16 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 60.13 2w4l h ARG 142 Cb 0.01 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 2w4l h ARG 142 CO -0.08 0.55 0.12 1.25 -1.07 0.00 0.00 179.97 180.74 2w4l h LEU 143 N 0.41 0.16 -0.40 3.04 5.85 -1.16 0.59 115.31 123.79 2w4l h LEU 143 Ca 0.11 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 2w4l h LEU 143 Cb 0.23 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2w4l h LEU 143 CO -0.01 0.13 0.19 -0.07 -0.34 0.00 0.00 178.44 178.34 2w4l h LEU 144 N 0.26 0.53 -0.52 2.25 3.38 -1.03 -1.08 115.31 119.10 2w4l h LEU 144 Ca 0.12 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2w4l h LEU 144 Cb 0.06 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2w4l h LEU 144 CO -0.10 0.51 0.34 -0.26 0.09 0.00 0.00 178.44 179.02 2w4l h PHE 145 N 0.51 0.66 -0.42 1.13 0.04 -1.00 0.39 116.94 118.24 2w4l h PHE 145 Ca 0.14 0.01 0.08 0.00 2.80 0.00 0.00 57.97 61.00 2w4l h PHE 145 Cb 0.13 -0.22 -0.07 0.00 2.20 0.00 0.00 35.95 37.99 2w4l h PHE 145 CO -0.01 0.42 0.00 -0.91 -0.60 0.00 0.00 178.31 177.21 2w4l h ASN 146 N 0.71 -0.17 -0.18 2.17 2.35 -0.59 0.12 115.58 119.99 2w4l h ASN 146 Ca 0.19 0.10 -0.17 0.00 -0.55 0.00 0.00 56.30 55.87 2w4l h ASN 146 Cb -0.07 0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.46 2w4l h ASN 146 CO -0.04 -0.05 -0.50 0.24 -1.65 0.00 0.00 177.43 175.43 2w4l h MET 147 N 0.11 0.76 0.00 0.81 2.86 -0.90 -3.13 114.93 115.44 2w4l h MET 147 Ca 0.21 -0.45 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 2w4l h MET 147 Cb 0.29 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.00 2w4l h MET 147 CO -0.34 1.08 -0.11 0.00 1.06 0.00 0.00 176.91 178.60 2w4l n ALA 148 N -2.54 2.54 -0.92 6.32 0.00 0.10 -4.94 120.51 121.07 2w4l n ALA 148 Ca -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2w4l n ALA 148 Cb 0.59 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.64 2w4l n ALA 148 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2w4l n GLY 149 N 1.45 0.59 3.63 0.00 0.00 0.21 -5.04 105.19 106.03 2w4l n GLY 149 Ca 0.06 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.90 2w4l n GLY 149 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2w4l s VAL 150 N -2.00 5.13 0.42 1.61 1.01 -0.04 -4.94 120.40 121.59 2w4l s VAL 150 Ca 0.00 0.75 -0.12 0.00 0.00 0.00 0.00 61.98 62.60 2w4l s VAL 150 Cb 0.00 -3.76 -0.07 0.00 0.00 0.00 0.00 36.38 32.55 2w4l s VAL 150 CO 0.00 0.15 0.81 0.42 0.00 0.00 0.00 175.10 176.49 2w4l s THR 151 N 1.96 4.72 -0.04 3.92 -4.23 -0.69 -4.28 115.64 117.01 2w4l s THR 151 Ca 0.19 0.78 -0.01 0.00 -1.18 0.00 0.00 61.69 61.47 2w4l s THR 151 Cb -0.15 -3.72 0.03 0.00 1.34 0.00 0.00 72.50 70.00 2w4l s THR 151 CO 0.09 -0.53 0.08 0.72 -0.54 0.00 0.00 174.62 174.44 2w4l s PHE 152 N -2.39 -0.06 -0.00 3.99 -0.71 -1.26 -1.12 117.98 116.43 2w4l s PHE 152 Ca 0.53 0.28 -0.01 0.00 -1.04 0.00 0.00 56.93 56.69 2w4l s PHE 152 Cb -0.10 -0.16 -0.00 0.00 -1.21 0.00 0.00 43.02 41.55 2w4l s PHE 152 CO 0.30 -0.12 0.01 -0.98 -1.34 0.00 0.00 175.22 173.10 2w4l s ARG 153 N 1.05 0.10 0.26 1.99 1.70 -0.65 -4.99 118.95 118.41 2w4l s ARG 153 Ca -0.08 -0.12 -0.29 0.00 -0.47 0.00 0.00 55.73 54.76 2w4l s ARG 153 Cb -0.12 0.04 -0.09 0.00 -0.57 0.00 0.00 34.95 34.21 2w4l s ARG 153 CO -0.04 -0.02 1.22 0.21 -1.08 0.00 0.00 175.30 175.59 2w4l s LYS 154 N -0.36 4.48 -0.11 3.89 2.20 -1.26 -1.96 119.74 126.62 2w4l s LYS 154 Ca -0.04 1.99 -0.23 0.00 -0.36 0.00 0.00 55.97 57.32 2w4l s LYS 154 Cb -0.03 -3.16 -0.03 0.00 -1.51 0.00 0.00 37.83 33.10 2w4l s LYS 154 CO -0.00 -0.05 0.72 0.12 -0.36 0.00 0.00 175.35 175.78 2w4l s PHE 155 N -0.72 3.51 -0.45 4.03 5.36 0.22 -4.85 117.98 125.09 2w4l s PHE 155 Ca 0.50 1.20 -0.09 0.00 -0.96 0.00 0.00 56.93 57.58 2w4l s PHE 155 Cb -0.35 -2.85 0.11 0.00 -0.34 0.00 0.00 43.02 39.58 2w4l s PHE 155 CO 0.43 -0.02 0.30 0.42 -1.46 0.00 0.00 175.22 174.89 2w4l s ILE 156 N 1.27 4.13 0.31 3.12 1.09 -1.26 -4.77 121.20 125.08 2w4l s ILE 156 Ca 0.36 -1.69 -0.29 0.00 -1.10 0.00 0.00 60.65 57.94 2w4l s ILE 156 Cb -0.17 -3.66 -0.10 0.00 -1.06 0.00 0.00 42.46 37.47 2w4l s ILE 156 CO 0.16 -0.68 1.15 -2.16 -0.10 0.00 0.00 174.94 173.31 2w4l s PRO 157 N 1.36 4.51 0.32 2.79 0.04 -1.26 -4.93 135.00 137.82 2w4l s PRO 157 Ca 0.05 1.89 0.25 0.00 0.04 0.00 0.00 61.00 63.23 2w4l s PRO 157 Cb -0.25 -3.09 0.61 0.00 0.04 0.00 0.00 34.50 31.81 2w4l s PRO 157 CO -0.00 0.06 1.70 0.87 0.04 0.00 0.00 177.00 179.68 2w4l h LYS 158 N 3.56 0.00 -3.70 4.56 1.57 -2.02 -3.44 116.57 117.10 2w4l h LYS 158 Ca -0.47 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.02 2w4l h LYS 158 Cb 1.22 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.21 2w4l h LYS 158 CO 0.66 0.00 -0.73 0.00 -0.57 0.00 0.00 179.45 178.81 2w4l h SER 160 N 6.76 0.00 -4.38 0.00 4.64 -2.03 -3.46 113.55 115.07 2w4l h SER 160 Ca -0.36 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.55 2w4l h SER 160 Cb 1.16 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.01 2w4l h SER 160 CO 0.49 0.81 -0.78 -0.75 -0.87 0.00 0.00 176.83 175.73 2w4l s LYS 161 N -2.91 0.85 -0.07 4.77 2.20 -1.26 -5.13 119.74 118.18 2w4l s LYS 161 Ca 0.01 -0.78 0.00 0.00 -0.36 0.00 0.00 55.97 54.84 2w4l s LYS 161 Cb 0.10 -0.83 0.02 0.00 -1.51 0.00 0.00 37.83 35.61 2w4l s LYS 161 CO 0.79 0.20 -0.04 0.42 -0.36 0.00 0.00 175.35 176.36 2w4l s ILE 162 N -0.97 0.59 -0.18 5.43 1.01 -1.26 -5.14 121.20 120.67 2w4l s ILE 162 Ca -0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 60.65 60.50 2w4l s ILE 162 Cb -0.08 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 2w4l s ILE 162 CO 0.01 0.27 0.04 -0.69 0.00 0.00 0.00 174.94 174.57 2w4l s VAL 163 N 1.41 4.59 -0.39 2.92 1.01 -1.26 -5.07 120.40 123.61 2w4l s VAL 163 Ca -0.03 -0.11 -0.09 0.00 0.00 0.00 0.00 61.98 61.75 2w4l s VAL 163 Cb -0.13 -3.06 0.05 0.00 0.00 0.00 0.00 36.38 33.24 2w4l s VAL 163 CO -0.03 0.46 0.21 -0.63 0.00 0.00 0.00 175.10 175.11 2w4l s ILE 164 N 0.43 4.25 -0.26 2.22 -1.09 -1.26 -5.06 121.20 120.43 2w4l s ILE 164 Ca 0.02 -1.18 -0.05 0.00 -2.23 0.00 0.00 60.65 57.21 2w4l s ILE 164 Cb -0.13 -3.49 0.01 0.00 -1.58 0.00 0.00 42.46 37.26 2w4l s ILE 164 CO 0.01 -0.36 0.00 -0.62 -1.23 0.00 0.00 174.94 172.75 2w4l s ASP 165 N 1.79 4.65 0.47 3.58 -1.08 -1.26 -4.99 116.67 119.83 2w4l s ASP 165 Ca 0.02 -0.61 0.24 0.00 -0.52 0.00 0.00 52.55 51.68 2w4l s ASP 165 Cb -0.21 -1.78 1.16 0.00 -1.46 0.00 0.00 42.92 40.63 2w4l s ASP 165 CO 0.04 -0.11 1.95 -0.26 0.52 0.00 0.00 175.17 177.31 2w4l h PHE 166 N 8.14 0.00 -0.00 -5.34 0.04 -2.05 -2.16 116.94 115.56 2w4l h PHE 166 Ca -0.36 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.41 2w4l h PHE 166 Cb 1.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.29 2w4l h PHE 166 CO 0.60 0.20 -0.04 -0.25 -0.60 0.00 0.00 178.31 178.22 2w4l n ASP 167 N -3.61 0.10 0.22 2.17 8.00 -1.26 -3.80 116.55 118.37 2w4l n ASP 167 Ca -0.01 -0.10 0.07 0.00 0.71 0.00 0.00 54.79 55.45 2w4l n ASP 167 Cb 0.33 -0.27 0.57 0.00 -0.02 0.00 0.00 41.12 41.74 2w4l n ASP 167 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 2w4l h SER 168 N 0.10 0.05 -0.16 -2.24 4.64 -1.81 -2.63 113.55 111.50 2w4l h SER 168 Ca 0.00 -0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.22 2w4l h SER 168 Cb 0.35 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 2w4l h SER 168 CO 0.00 0.10 -0.20 -0.29 -0.87 0.00 0.00 176.83 175.57 2w4l h ILE 169 N 0.06 1.26 -0.01 0.95 6.09 -1.77 -3.52 117.51 120.56 2w4l h ILE 169 Ca 0.02 -1.22 0.00 0.00 -1.37 0.00 0.00 64.86 62.28 2w4l h ILE 169 Cb 0.10 1.24 0.00 0.00 0.47 0.00 0.00 36.82 38.62 2w4l h ILE 169 CO 0.00 0.40 0.00 0.59 -3.07 0.00 0.00 178.15 176.07