#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f4s h SER 21 N 0.00 0.90 -0.65 3.42 4.64 -1.99 -2.11 113.55 117.76 3f4s h SER 21 Ca 0.00 0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.28 3f4s h SER 21 Cb 0.00 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 61.88 3f4s h SER 21 CO 0.00 0.57 0.23 0.78 -0.87 0.00 0.00 176.83 177.54 3f4s h ASN 22 N 1.02 0.93 0.74 4.97 2.35 -1.93 -2.47 115.58 121.18 3f4s h ASN 22 Ca 0.40 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.93 3f4s h ASN 22 Cb 0.24 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 3f4s h ASN 22 CO -0.16 0.87 -0.12 -0.33 -1.65 0.00 0.00 177.43 176.05 3f4s h GLU 23 N 0.93 0.00 -0.06 0.81 5.08 -1.82 -2.29 114.58 117.23 3f4s h GLU 23 Ca 0.21 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.39 3f4s h GLU 23 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3f4s h GLU 23 CO -0.01 0.12 -0.76 -0.07 -1.00 0.00 0.00 179.01 177.29 3f4s h LEU 24 N 0.00 0.45 -3.39 1.33 3.38 -0.98 -3.32 115.31 112.78 3f4s h LEU 24 Ca -0.00 -0.30 -0.24 0.00 0.09 0.00 0.00 57.88 57.43 3f4s h LEU 24 Cb 0.52 -0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.04 3f4s h LEU 24 CO 0.02 1.05 0.28 0.18 0.09 0.00 0.00 178.44 180.06 3f4s n LEU 25 N -3.81 6.14 -4.16 1.67 4.77 -0.86 -4.79 117.00 115.96 3f4s n LEU 25 Ca -0.04 -3.08 -0.10 0.00 -0.03 0.00 0.00 56.01 52.76 3f4s n LEU 25 Cb 0.72 -1.09 -0.10 0.00 -2.33 0.00 0.00 43.42 40.62 3f4s n LEU 25 CO 0.48 1.19 -0.34 -0.76 -1.33 0.00 0.00 177.39 176.63 3f4s s LEU 26 N -1.29 2.22 0.03 2.23 1.43 -1.25 -5.05 118.68 117.01 3f4s s LEU 26 Ca 0.24 -1.10 -0.30 0.00 -1.03 0.00 0.00 54.13 51.94 3f4s s LEU 26 Cb 0.18 0.11 -0.08 0.00 0.03 0.00 0.00 46.19 46.43 3f4s s LEU 26 CO -0.01 -0.60 1.83 -2.84 0.23 0.00 0.00 176.35 174.96 3f4s s PRO 27 N -3.93 4.16 0.30 1.29 0.02 -1.26 -4.99 135.00 130.59 3f4s s PRO 27 Ca 0.16 2.47 0.01 0.00 0.02 0.00 0.00 61.00 63.67 3f4s s PRO 27 Cb 0.07 -3.96 -0.03 0.00 0.02 0.00 0.00 34.50 30.60 3f4s s PRO 27 CO -0.03 -0.88 0.49 -0.51 -0.33 0.00 0.00 177.00 175.74 3f4s s LEU 28 N 3.85 4.11 0.35 -5.54 1.43 -1.26 -5.01 118.68 116.62 3f4s s LEU 28 Ca 0.82 0.38 0.08 0.00 -1.03 0.00 0.00 54.13 54.38 3f4s s LEU 28 Cb -0.41 -3.21 0.79 0.00 0.03 0.00 0.00 46.19 43.39 3f4s s LEU 28 CO 0.37 -0.21 1.89 -0.65 0.23 0.00 0.00 176.35 177.98 3f4s h PRO 29 N 1.08 0.70 -0.08 1.29 0.11 -2.01 -1.79 132.00 131.30 3f4s h PRO 29 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3f4s h PRO 29 Cb 1.21 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3f4s h PRO 29 CO 0.63 0.46 0.00 0.09 -0.21 0.00 0.00 178.00 178.97 3f4s n ASN 30 N -4.54 2.08 -4.76 -2.05 3.02 -1.26 -4.95 115.26 102.80 3f4s n ASN 30 Ca 0.16 -1.71 -0.38 0.00 -0.03 0.00 0.00 54.58 52.62 3f4s n ASN 30 Cb 0.41 -0.04 0.02 0.00 -0.61 0.00 0.00 39.78 39.55 3f4s n ASN 30 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3f4s s ASP 31 N -1.87 5.75 -0.20 6.41 1.01 -0.67 -5.00 116.67 122.09 3f4s s ASP 31 Ca 0.35 2.66 -0.17 0.00 0.71 0.00 0.00 52.55 56.10 3f4s s ASP 31 Cb 0.20 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.46 3f4s s ASP 31 CO 0.31 -1.24 0.44 -0.54 0.21 0.00 0.00 175.17 174.35 3f4s s LYS 32 N -2.67 4.18 0.04 8.23 -0.14 -1.26 -4.95 119.74 123.16 3f4s s LYS 32 Ca 0.66 0.27 0.01 0.00 -1.36 0.00 0.00 55.97 55.55 3f4s s LYS 32 Cb -0.38 -3.54 -0.04 0.00 -1.68 0.00 0.00 37.83 32.19 3f4s s LYS 32 CO 0.46 -0.07 0.08 -0.51 -0.76 0.00 0.00 175.35 174.55 3f4s s LEU 33 N 1.39 3.83 -0.10 3.17 1.43 -1.26 -4.11 118.68 123.04 3f4s s LEU 33 Ca 0.21 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 3f4s s LEU 33 Cb -0.15 -2.37 0.02 0.00 0.03 0.00 0.00 46.19 43.72 3f4s s LEU 33 CO 0.09 0.22 -0.09 -0.22 0.23 0.00 0.00 176.35 176.58 3f4s s LEU 34 N -2.06 1.32 0.00 1.79 2.96 0.06 -4.78 118.68 117.97 3f4s s LEU 34 Ca 0.26 -0.31 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 3f4s s LEU 34 Cb -0.12 -0.85 0.00 0.00 0.50 0.00 0.00 46.19 45.72 3f4s s LEU 34 CO 0.18 -0.08 0.00 0.61 -1.32 0.00 0.00 176.35 175.74 3f4s n GLY 35 N 4.65 -1.73 3.66 7.98 0.00 -1.26 -0.85 105.19 117.63 3f4s n GLY 35 Ca -0.15 -2.06 -0.43 0.00 0.00 0.00 0.00 46.02 43.38 3f4s n GLY 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3f4s s ASP 36 N -3.90 6.99 0.61 1.61 -1.08 -1.26 -4.90 116.67 114.73 3f4s s ASP 36 Ca 0.00 1.62 0.30 0.00 -0.52 0.00 0.00 52.55 53.95 3f4s s ASP 36 Cb 0.00 -2.54 1.65 0.00 -1.46 0.00 0.00 42.92 40.57 3f4s s ASP 36 CO 0.00 -0.73 2.02 -0.65 0.52 0.00 0.00 175.17 176.32 3f4s h PRO 37 N 8.00 0.00 -0.44 4.34 0.11 -1.96 -0.38 132.00 141.67 3f4s h PRO 37 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3f4s h PRO 37 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3f4s h PRO 37 CO 0.97 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.39 3f4s n LYS 38 N -3.51 3.86 -1.66 1.05 4.76 -1.26 -5.00 118.16 116.40 3f4s n LYS 38 Ca 0.02 -2.95 -0.37 0.00 -2.87 0.00 0.00 58.31 52.14 3f4s n LYS 38 Cb 0.42 -2.01 0.07 0.00 -1.84 0.00 0.00 35.03 31.67 3f4s n LYS 38 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3f4s n ALA 39 N 0.19 0.83 -0.10 7.82 0.00 -0.15 -4.91 120.51 124.19 3f4s n ALA 39 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3f4s n ALA 39 Cb 1.00 -2.27 0.28 0.00 0.00 0.00 0.00 19.45 18.47 3f4s n ALA 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3f4s h PRO 40 N 0.41 0.74 -6.56 0.00 0.11 -1.74 -3.42 132.00 121.54 3f4s h PRO 40 Ca -0.50 -0.09 -0.67 0.00 0.11 0.00 0.00 66.00 64.84 3f4s h PRO 40 Cb 1.34 -0.14 -0.17 0.00 0.11 0.00 0.00 31.00 32.14 3f4s h PRO 40 CO 0.52 0.59 -0.76 0.42 -0.21 0.00 0.00 178.00 178.56 3f4s s ILE 41 N -5.41 3.22 -0.08 4.15 -1.09 -0.76 -1.17 121.20 120.06 3f4s s ILE 41 Ca -0.09 -1.25 0.04 0.00 -2.23 0.00 0.00 60.65 57.12 3f4s s ILE 41 Cb 0.17 -2.47 -0.00 0.00 -1.58 0.00 0.00 42.46 38.57 3f4s s ILE 41 CO 0.77 0.17 -0.22 -0.22 -1.23 0.00 0.00 174.94 174.21 3f4s s LEU 42 N -2.01 1.99 -0.13 2.97 2.96 0.46 -0.17 118.68 124.75 3f4s s LEU 42 Ca 0.19 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.64 3f4s s LEU 42 Cb -0.11 -1.26 0.01 0.00 0.50 0.00 0.00 46.19 45.33 3f4s s LEU 42 CO 0.11 0.16 -0.21 -0.32 -1.32 0.00 0.00 176.35 174.77 3f4s s MET 43 N 0.25 2.85 -0.17 1.98 -2.45 0.12 -1.47 119.30 120.41 3f4s s MET 43 Ca -0.13 -0.79 -0.03 0.00 -1.25 0.00 0.00 55.69 53.49 3f4s s MET 43 Cb -0.16 -2.33 -0.02 0.00 1.25 0.00 0.00 34.83 33.58 3f4s s MET 43 CO 0.06 -0.03 -0.07 0.42 1.05 0.00 0.00 175.02 176.45 3f4s s ILE 44 N 0.87 3.42 -0.11 10.11 1.01 0.19 -0.46 121.20 136.22 3f4s s ILE 44 Ca -0.07 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.10 3f4s s ILE 44 Cb -0.15 -2.50 -0.01 0.00 0.01 0.00 0.00 42.46 39.81 3f4s s ILE 44 CO -0.02 0.47 -0.18 -0.70 0.00 0.00 0.00 174.94 174.52 3f4s s GLU 45 N 0.80 3.17 -0.18 2.79 2.12 -0.16 -0.32 118.70 126.93 3f4s s GLU 45 Ca -0.02 -0.77 -0.06 0.00 0.36 0.00 0.00 54.97 54.48 3f4s s GLU 45 Cb -0.15 -2.47 -0.03 0.00 0.26 0.00 0.00 34.13 31.74 3f4s s GLU 45 CO 0.01 0.24 0.02 0.71 -0.54 0.00 0.00 175.26 175.69 3f4s s TYR 46 N 0.25 3.11 0.05 5.30 2.02 -0.07 -0.09 117.35 127.93 3f4s s TYR 46 Ca -0.12 -0.20 -0.21 0.00 -0.37 0.00 0.00 57.07 56.17 3f4s s TYR 46 Cb -0.16 -2.05 0.05 0.00 -0.40 0.00 0.00 41.96 39.40 3f4s s TYR 46 CO 0.06 -0.03 0.48 0.00 -1.57 0.00 0.00 175.55 174.50 3f4s s ALA 47 N 0.59 -1.22 -0.04 3.71 0.00 -1.14 -1.62 121.76 122.04 3f4s s ALA 47 Ca 0.00 0.50 -0.17 0.00 0.00 0.00 0.00 51.96 52.29 3f4s s ALA 47 Cb -0.14 0.37 -0.05 0.00 0.00 0.00 0.00 23.12 23.30 3f4s s ALA 47 CO 0.02 -0.49 0.47 0.45 0.00 0.00 0.00 175.76 176.21 3f4s s SER 48 N -1.98 6.80 0.35 0.00 0.15 -1.23 -1.84 113.70 115.95 3f4s s SER 48 Ca -0.05 0.95 0.27 0.00 0.70 0.00 0.00 55.95 57.81 3f4s s SER 48 Cb -0.01 -2.29 1.19 0.00 -1.71 0.00 0.00 66.02 63.21 3f4s s SER 48 CO -0.02 0.17 1.80 -0.07 1.20 0.00 0.00 173.24 176.32 3f4s h LEU 49 N 5.60 0.00 -2.30 3.45 3.38 -1.87 -2.55 115.31 121.03 3f4s h LEU 49 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3f4s h LEU 49 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3f4s h LEU 49 CO 0.68 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.56 3f4s n THR 50 N -2.46 0.54 -2.34 0.22 -2.24 -1.26 -4.36 114.28 102.38 3f4s n THR 50 Ca 0.01 -0.77 -0.42 0.00 -2.27 0.00 0.00 64.05 60.59 3f4s n THR 50 Cb 0.19 0.90 -0.03 0.00 -2.10 0.00 0.00 70.33 69.30 3f4s n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f4s h TYR 52 N 7.44 -0.27 -0.46 0.00 3.20 -1.92 -1.11 116.97 123.85 3f4s h TYR 52 Ca -0.38 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.50 3f4s h TYR 52 Cb 1.18 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.52 3f4s h TYR 52 CO 0.72 0.04 0.30 0.45 -1.64 0.00 0.00 178.16 178.03 3f4s h HIS 53 N -0.57 0.56 -0.59 -3.82 3.86 -1.94 -1.21 115.15 111.43 3f4s h HIS 53 Ca -0.03 0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.13 3f4s h HIS 53 Cb 0.42 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.68 3f4s h HIS 53 CO 0.02 0.35 0.10 0.00 0.86 0.00 0.00 177.93 179.26 3f4s h SER 55 N 0.89 0.42 -0.25 0.00 4.64 -0.21 -1.77 113.55 117.27 3f4s h SER 55 Ca 0.18 -0.24 -0.12 0.00 -0.47 0.00 0.00 61.79 61.14 3f4s h SER 55 Cb 0.38 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3f4s h SER 55 CO 0.01 0.93 -0.32 -0.07 -0.87 0.00 0.00 176.83 176.50 3f4s h LEU 56 N 0.27 0.72 -0.47 5.97 3.38 -1.03 -1.74 115.31 122.42 3f4s h LEU 56 Ca -0.01 -0.50 0.04 0.00 0.09 0.00 0.00 57.88 57.50 3f4s h LEU 56 Cb 1.14 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 3f4s h LEU 56 CO 0.10 1.07 0.23 0.15 0.09 0.00 0.00 178.44 180.09 3f4s h PHE 57 N 0.38 0.42 0.00 1.13 3.57 -1.02 -0.12 116.94 121.29 3f4s h PHE 57 Ca 0.03 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 3f4s h PHE 57 Cb 0.90 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 3f4s h PHE 57 CO 0.08 0.21 -0.31 0.45 -2.23 0.00 0.00 178.31 176.50 3f4s h HIS 58 N 0.45 0.00 0.17 0.41 3.86 -1.27 -0.06 115.15 118.72 3f4s h HIS 58 Ca 0.20 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 59.17 3f4s h HIS 58 Cb 0.12 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.62 3f4s h HIS 58 CO -0.11 0.31 -1.05 -0.09 0.86 0.00 0.00 177.93 177.85 3f4s h ARG 59 N 0.00 0.42 0.00 2.45 2.43 -0.88 -3.38 114.38 115.42 3f4s h ARG 59 Ca -0.00 -0.67 0.00 0.00 -0.81 0.00 0.00 59.98 58.49 3f4s h ARG 59 Cb 0.63 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 3f4s h ARG 59 CO 0.04 1.31 -1.21 0.09 -1.51 0.00 0.00 179.97 178.70 3f4s n ASN 60 N -3.97 1.65 -0.01 -3.80 3.02 -0.10 -4.70 115.26 107.36 3f4s n ASN 60 Ca -0.15 -0.27 -0.01 0.00 -0.03 0.00 0.00 54.58 54.12 3f4s n ASN 60 Cb 0.92 1.36 -0.00 0.00 -0.61 0.00 0.00 39.78 41.45 3f4s n ASN 60 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3f4s n VAL 61 N -1.70 0.06 -0.36 2.41 0.31 -0.20 -4.82 118.33 114.05 3f4s n VAL 61 Ca -0.01 -0.02 0.04 0.00 -0.01 0.00 0.00 64.34 64.35 3f4s n VAL 61 Cb 0.27 -1.28 0.21 0.00 -0.91 0.00 0.00 33.84 32.13 3f4s n VAL 61 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 3f4s h PHE 62 N -0.03 1.16 -0.88 3.52 3.57 -1.31 -2.26 116.94 120.71 3f4s h PHE 62 Ca -0.03 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.61 3f4s h PHE 62 Cb 1.03 -0.38 -0.07 0.00 2.79 0.00 0.00 35.95 39.33 3f4s h PHE 62 CO -0.00 0.56 0.57 -1.35 -2.23 0.00 0.00 178.31 175.85 3f4s h PRO 63 N 1.10 0.78 -0.11 6.41 0.11 -1.84 0.13 132.00 138.57 3f4s h PRO 63 Ca 0.44 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 66.33 3f4s h PRO 63 Cb 0.27 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.20 3f4s h PRO 63 CO -0.19 0.52 -0.68 0.87 -0.21 0.00 0.00 178.00 178.31 3f4s h LYS 64 N 0.80 0.45 -0.47 1.05 1.79 -1.74 -1.25 116.57 117.20 3f4s h LYS 64 Ca 0.42 -0.34 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 3f4s h LYS 64 Cb 0.51 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.20 3f4s h LYS 64 CO -0.18 0.97 0.25 0.82 -1.08 0.00 0.00 179.45 180.22 3f4s h ILE 65 N 0.32 1.17 -0.40 1.86 2.04 -0.97 -0.58 117.51 120.95 3f4s h ILE 65 Ca -0.02 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 3f4s h ILE 65 Cb 1.24 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 3f4s h ILE 65 CO 0.12 0.19 0.16 0.50 0.00 0.00 0.00 178.15 179.12 3f4s h LYS 66 N 0.62 0.59 -0.57 2.37 3.64 -0.63 0.23 116.57 122.83 3f4s h LYS 66 Ca 0.16 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 3f4s h LYS 66 Cb 0.08 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 3f4s h LYS 66 CO -0.02 0.56 0.14 0.93 -2.27 0.00 0.00 179.45 178.79 3f4s h GLU 67 N 0.50 0.91 0.02 1.90 5.08 -1.14 0.45 114.58 122.30 3f4s h GLU 67 Ca 0.13 -0.22 -0.24 0.00 -1.00 0.00 0.00 59.36 58.04 3f4s h GLU 67 Cb 0.18 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.32 3f4s h GLU 67 CO -0.01 0.84 -1.01 -0.22 -1.00 0.00 0.00 179.01 177.62 3f4s h LYS 68 N 0.82 0.43 0.00 2.33 3.64 -0.95 -3.39 116.57 119.45 3f4s h LYS 68 Ca 0.18 -0.50 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 3f4s h LYS 68 Cb 0.34 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3f4s h LYS 68 CO 0.00 1.16 -0.90 0.66 -2.27 0.00 0.00 179.45 178.10 3f4s n TYR 69 N -3.73 0.00 -0.10 1.91 4.01 0.06 -4.57 117.16 114.73 3f4s n TYR 69 Ca -0.08 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.43 3f4s n TYR 69 Cb 0.87 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.79 3f4s n TYR 69 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3f4s n ILE 70 N -1.89 1.55 0.27 -0.72 5.41 -0.73 -0.72 119.36 122.54 3f4s n ILE 70 Ca 0.00 -0.16 0.13 0.00 1.00 0.00 0.00 62.75 63.72 3f4s n ILE 70 Cb 0.45 -1.98 0.77 0.00 -0.71 0.00 0.00 39.64 38.17 3f4s n ILE 70 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3f4s h ASP 71 N -0.90 0.00 0.22 4.38 3.32 -1.15 -2.51 116.42 119.78 3f4s h ASP 71 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 3f4s h ASP 71 Cb 1.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.99 3f4s h ASP 71 CO -0.23 0.09 -0.24 0.35 -1.72 0.00 0.00 179.24 177.49 3f4s n THR 72 N -3.77 0.00 -0.85 0.35 -2.24 -1.26 -4.94 114.28 101.57 3f4s n THR 72 Ca -0.02 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3f4s n THR 72 Cb 0.19 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 3f4s n THR 72 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f4s n GLY 73 N 1.33 0.57 0.09 3.38 0.00 -0.95 -4.93 105.19 104.69 3f4s n GLY 73 Ca 0.13 -0.03 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 3f4s n GLY 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f4s h LYS 74 N 1.39 0.00 -3.27 1.61 1.57 -1.34 -3.39 116.57 113.14 3f4s h LYS 74 Ca 0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 3f4s h LYS 74 Cb 0.00 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 32.02 3f4s h LYS 74 CO 0.00 0.74 -0.56 1.41 -0.57 0.00 0.00 179.45 180.47 3f4s s MET 75 N -2.81 0.14 -0.10 3.15 0.00 0.10 -1.83 119.30 117.95 3f4s s MET 75 Ca 0.02 0.32 -0.19 0.00 0.00 0.00 0.00 55.69 55.84 3f4s s MET 75 Cb 0.09 -0.06 -0.04 0.00 0.00 0.00 0.00 34.83 34.82 3f4s s MET 75 CO 0.79 -0.10 0.52 -1.17 0.00 0.00 0.00 175.02 175.05 3f4s s LEU 76 N 0.72 4.30 -0.17 4.11 2.96 0.75 -4.32 118.68 127.03 3f4s s LEU 76 Ca -0.05 0.90 -0.02 0.00 -0.22 0.00 0.00 54.13 54.73 3f4s s LEU 76 Cb -0.07 -2.76 -0.01 0.00 0.50 0.00 0.00 46.19 43.84 3f4s s LEU 76 CO -0.04 -0.00 -0.09 -0.47 -1.32 0.00 0.00 176.35 174.43 3f4s s TYR 77 N 0.55 2.89 -0.24 5.38 5.04 -0.03 -0.70 117.35 130.24 3f4s s TYR 77 Ca 0.28 -0.77 0.01 0.00 -2.44 0.00 0.00 57.07 54.15 3f4s s TYR 77 Cb -0.16 -1.97 0.06 0.00 0.35 0.00 0.00 41.96 40.24 3f4s s TYR 77 CO 0.12 -0.36 -0.08 0.42 -1.34 0.00 0.00 175.55 174.31 3f4s s ILE 78 N 0.85 1.75 -0.13 3.14 1.01 0.39 -0.76 121.20 127.46 3f4s s ILE 78 Ca -0.03 -1.33 -0.17 0.00 0.00 0.00 0.00 60.65 59.13 3f4s s ILE 78 Cb -0.15 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 3f4s s ILE 78 CO 0.01 -0.04 0.42 0.12 0.00 0.00 0.00 174.94 175.45 3f4s s PHE 79 N 1.30 3.50 -0.05 3.97 5.36 -1.26 -0.99 117.98 129.81 3f4s s PHE 79 Ca -0.06 0.81 0.05 0.00 -0.96 0.00 0.00 56.93 56.77 3f4s s PHE 79 Cb -0.19 -2.49 -0.01 0.00 -0.34 0.00 0.00 43.02 40.00 3f4s s PHE 79 CO -0.06 0.20 -0.22 1.03 -1.46 0.00 0.00 175.22 174.70 3f4s s ARG 80 N 0.55 2.30 0.44 10.12 0.52 0.88 -4.68 118.95 129.06 3f4s s ARG 80 Ca 0.23 -0.80 -0.23 0.00 -0.52 0.00 0.00 55.73 54.41 3f4s s ARG 80 Cb -0.15 -1.95 -0.08 0.00 0.52 0.00 0.00 34.95 33.29 3f4s s ARG 80 CO 0.09 0.33 1.14 -1.01 0.02 0.00 0.00 175.30 175.87 3f4s s HIS 81 N -0.08 2.99 -0.41 -0.53 3.76 -1.26 -2.87 115.29 116.89 3f4s s HIS 81 Ca -0.04 1.56 0.07 0.00 -0.15 0.00 0.00 55.06 56.50 3f4s s HIS 81 Cb -0.13 -3.33 0.23 0.00 1.11 0.00 0.00 32.58 30.46 3f4s s HIS 81 CO 0.03 -1.29 0.55 0.34 -0.85 0.00 0.00 174.74 173.52 3f4s n PHE 82 N -0.32 -1.02 -2.23 1.40 7.35 -0.77 -4.59 117.46 117.29 3f4s n PHE 82 Ca 0.06 -3.18 -0.38 0.00 -0.76 0.00 0.00 57.45 53.19 3f4s n PHE 82 Cb 0.48 0.09 -0.01 0.00 0.35 0.00 0.00 39.48 40.39 3f4s n PHE 82 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 3f4s s PRO 83 N -0.63 3.96 0.00 -7.13 0.05 -1.26 -3.52 135.00 126.46 3f4s s PRO 83 Ca 0.34 1.90 0.00 0.00 0.05 0.00 0.00 61.00 63.29 3f4s s PRO 83 Cb 0.15 -2.63 0.00 0.00 0.05 0.00 0.00 34.50 32.07 3f4s s PRO 83 CO -0.14 -0.41 0.33 1.28 0.05 0.00 0.00 177.00 178.10 3f4s n LEU 84 N -0.04 0.65 -3.87 -3.56 4.77 -1.26 -4.93 117.00 108.76 3f4s n LEU 84 Ca 0.05 -0.70 -0.10 0.00 -0.03 0.00 0.00 56.01 55.23 3f4s n LEU 84 Cb 0.46 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.56 3f4s n LEU 84 CO 0.51 0.16 0.44 1.51 -1.33 0.00 0.00 177.39 178.68 3f4s s ASP 85 N -0.09 0.23 0.05 -1.43 1.47 -1.26 -5.05 116.67 110.59 3f4s s ASP 85 Ca 0.00 -1.23 -0.25 0.00 1.18 0.00 0.00 52.55 52.25 3f4s s ASP 85 Cb 0.00 0.81 -0.17 0.00 -0.34 0.00 0.00 42.92 43.22 3f4s s ASP 85 CO 0.00 -1.60 1.56 0.22 0.68 0.00 0.00 175.17 176.03 3f4s h TYR 86 N 2.02 -0.19 -0.60 2.11 3.20 -1.99 -0.99 116.97 120.54 3f4s h TYR 86 Ca -0.31 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.62 3f4s h TYR 86 Cb 1.25 0.06 -0.06 0.00 1.54 0.00 0.00 36.73 39.52 3f4s h TYR 86 CO 1.41 -0.00 0.29 0.00 -1.64 0.00 0.00 178.16 178.21 3f4s h ARG 87 N -0.35 0.52 -0.31 1.82 3.08 -1.96 -0.52 114.38 116.65 3f4s h ARG 87 Ca -0.02 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 59.85 3f4s h ARG 87 Cb 0.28 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3f4s h ARG 87 CO 0.04 0.34 -0.40 0.78 -1.07 0.00 0.00 179.97 179.66 3f4s h GLY 88 N 0.54 0.82 0.93 0.04 0.00 -1.93 0.58 103.07 104.05 3f4s h GLY 88 Ca 0.28 -0.83 -0.11 0.00 0.00 0.00 0.00 47.33 46.66 3f4s h GLY 88 CO -0.21 0.75 -0.29 -2.00 0.00 0.00 0.00 176.54 174.79 3f4s h LEU 89 N 0.62 0.68 -0.91 3.11 5.85 -0.89 -0.41 115.31 123.36 3f4s h LEU 89 Ca 0.05 -0.49 -0.04 0.00 0.84 0.00 0.00 57.88 58.25 3f4s h LEU 89 Cb 0.95 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 3f4s h LEU 89 CO 0.09 1.03 0.34 0.11 -0.34 0.00 0.00 178.44 179.68 3f4s h LYS 90 N 0.34 1.14 -0.44 1.25 1.79 -1.02 -0.56 116.57 119.07 3f4s h LYS 90 Ca 0.03 -0.18 -0.02 0.00 -2.18 0.00 0.00 60.65 58.30 3f4s h LYS 90 Cb 0.86 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 31.29 3f4s h LYS 90 CO 0.07 0.90 0.18 0.00 -1.08 0.00 0.00 179.45 179.52 3f4s h ALA 91 N 1.26 0.57 -0.84 3.86 0.00 -0.76 -0.23 119.26 123.12 3f4s h ALA 91 Ca 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3f4s h ALA 91 Cb 0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3f4s h ALA 91 CO -0.03 0.17 0.52 0.00 0.00 0.00 0.00 179.25 179.92 3f4s h ALA 92 N 1.03 1.07 -0.49 0.00 0.00 -0.68 -1.30 119.26 118.89 3f4s h ALA 92 Ca 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3f4s h ALA 92 Cb 0.18 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3f4s h ALA 92 CO -0.01 0.51 0.28 0.52 0.00 0.00 0.00 179.25 180.54 3f4s h MET 93 N 1.15 0.68 -0.13 0.00 2.07 -0.80 -2.81 114.93 115.08 3f4s h MET 93 Ca 0.30 -0.07 -0.02 0.00 -2.07 0.00 0.00 59.70 57.84 3f4s h MET 93 Cb -0.08 -0.14 -0.01 0.00 -1.87 0.00 0.00 31.60 29.51 3f4s h MET 93 CO -0.06 0.52 -0.02 1.25 1.07 0.00 0.00 176.91 179.67 3f4s h LEU 94 N 0.65 0.16 -2.44 1.22 5.85 -0.34 -2.03 115.31 118.39 3f4s h LEU 94 Ca 0.17 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.90 3f4s h LEU 94 Cb 0.03 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 3f4s h LEU 94 CO -0.03 0.22 0.12 0.77 -0.34 0.00 0.00 178.44 179.18 3f4s h SER 95 N 0.18 0.00 0.54 1.25 4.64 -0.98 0.31 113.55 119.49 3f4s h SER 95 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3f4s h SER 95 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3f4s h SER 95 CO 0.00 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.37 3f4s n HIS 96 N -3.56 0.00 1.26 4.77 8.25 -0.76 -1.75 115.22 123.43 3f4s n HIS 96 Ca -0.01 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.58 3f4s n HIS 96 Cb 0.21 -0.37 0.66 0.00 1.12 0.00 0.00 29.99 31.61 3f4s n HIS 96 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3f4s s TYR 98 N -2.48 3.48 -0.13 0.00 2.02 -0.72 -5.00 117.35 114.51 3f4s s TYR 98 Ca 0.26 -2.30 -0.19 0.00 -0.37 0.00 0.00 57.07 54.46 3f4s s TYR 98 Cb 0.17 -2.66 -0.25 0.00 -0.40 0.00 0.00 41.96 38.82 3f4s s TYR 98 CO 0.37 -0.90 0.51 0.93 -1.57 0.00 0.00 175.55 174.90 3f4s h GLU 99 N 7.94 0.14 -6.98 -0.62 5.08 -1.84 -3.37 114.58 114.92 3f4s h GLU 99 Ca -0.15 -0.24 -0.52 0.00 -1.00 0.00 0.00 59.36 57.45 3f4s h GLU 99 Cb 1.05 0.09 0.08 0.00 0.50 0.00 0.00 28.75 30.47 3f4s h GLU 99 CO 0.59 1.12 0.55 0.15 -1.00 0.00 0.00 179.01 180.41 3f4s s LYS 100 N -2.40 3.76 0.22 2.33 1.02 -1.26 -4.82 119.74 118.57 3f4s s LYS 100 Ca -0.22 1.99 -0.09 0.00 0.02 0.00 0.00 55.97 57.67 3f4s s LYS 100 Cb 0.03 -2.53 0.23 0.00 -0.52 0.00 0.00 37.83 35.05 3f4s s LYS 100 CO 0.71 -0.61 1.84 -0.56 -0.92 0.00 0.00 175.35 175.81 3f4s h GLN 101 N 2.23 0.83 -0.16 1.68 3.07 -1.90 -0.63 115.11 120.23 3f4s h GLN 101 Ca -0.50 -0.05 -0.13 0.00 0.09 0.00 0.00 58.65 58.06 3f4s h GLN 101 Cb 1.25 -0.19 -0.01 0.00 0.08 0.00 0.00 27.48 28.62 3f4s h GLN 101 CO 0.61 0.55 -0.47 0.93 0.09 0.00 0.00 178.83 180.53 3f4s h GLU 102 N 0.85 0.41 -0.53 0.06 4.39 -1.91 -2.29 114.58 115.57 3f4s h GLU 102 Ca 0.31 -0.23 -0.08 0.00 0.34 0.00 0.00 59.36 59.70 3f4s h GLU 102 Cb 0.09 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 3f4s h GLU 102 CO -0.14 0.80 -0.00 -0.44 -1.16 0.00 0.00 179.01 178.07 3f4s h ASP 103 N 0.33 0.91 0.21 1.42 3.32 -1.69 -0.19 116.42 120.73 3f4s h ASP 103 Ca 0.02 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 3f4s h ASP 103 Cb 0.96 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.26 3f4s h ASP 103 CO 0.08 1.00 -0.10 0.22 -1.72 0.00 0.00 179.24 178.72 3f4s h TYR 104 N 0.80 -0.26 -0.75 4.55 3.20 -1.09 -0.46 116.97 122.96 3f4s h TYR 104 Ca 0.15 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.08 3f4s h TYR 104 Cb 0.53 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.82 3f4s h TYR 104 CO 0.04 -0.04 0.43 0.35 -1.64 0.00 0.00 178.16 177.30 3f4s h PHE 105 N -0.44 0.80 -0.14 -3.82 3.57 -1.40 -2.14 116.94 113.36 3f4s h PHE 105 Ca -0.03 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.41 3f4s h PHE 105 Cb 0.33 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3f4s h PHE 105 CO -0.02 0.38 -0.29 -0.91 -2.23 0.00 0.00 178.31 175.25 3f4s h ASN 106 N 0.78 0.26 0.19 0.41 2.35 -0.86 -0.15 115.58 118.57 3f4s h ASN 106 Ca 0.34 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.99 3f4s h ASN 106 Cb 0.21 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.51 3f4s h ASN 106 CO -0.19 0.55 -0.09 0.15 -1.65 0.00 0.00 177.43 176.20 3f4s h PHE 107 N 0.23 -0.24 -0.86 1.19 3.57 -0.59 -1.12 116.94 119.13 3f4s h PHE 107 Ca 0.03 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.58 3f4s h PHE 107 Cb 0.63 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.39 3f4s h PHE 107 CO 0.01 0.05 0.53 -0.91 -2.23 0.00 0.00 178.31 175.76 3f4s h ASN 108 N -0.51 0.85 -0.62 0.41 2.35 -1.17 -1.23 115.58 115.65 3f4s h ASN 108 Ca -0.03 0.01 0.06 0.00 -0.55 0.00 0.00 56.30 55.79 3f4s h ASN 108 Cb 0.39 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.54 3f4s h ASN 108 CO 0.04 0.55 0.33 0.50 -1.65 0.00 0.00 177.43 177.21 3f4s h LYS 109 N 0.99 0.60 -0.58 0.81 3.64 -0.97 -0.86 116.57 120.20 3f4s h LYS 109 Ca 0.37 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.66 3f4s h LYS 109 Cb 0.14 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3f4s h LYS 109 CO -0.16 0.40 0.18 0.00 -2.27 0.00 0.00 179.45 177.60 3f4s h ALA 110 N 1.33 0.76 0.01 5.00 0.00 -0.36 0.30 119.26 126.30 3f4s h ALA 110 Ca 0.28 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3f4s h ALA 110 Cb 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3f4s h ALA 110 CO -0.18 0.43 -0.01 0.28 0.00 0.00 0.00 179.25 179.77 3f4s h VAL 111 N 0.82 1.07 -0.45 0.00 2.07 -0.81 -2.08 116.25 116.86 3f4s h VAL 111 Ca 0.19 -0.25 0.08 0.00 0.82 0.00 0.00 66.70 67.54 3f4s h VAL 111 Cb 0.29 1.24 -0.07 0.00 -1.52 0.00 0.00 31.29 31.23 3f4s h VAL 111 CO -0.01 0.07 0.02 -0.26 0.02 0.00 0.00 177.57 177.41 3f4s h PHE 112 N -0.12 0.01 -0.22 1.57 0.04 -1.03 -2.72 116.94 114.47 3f4s h PHE 112 Ca -0.00 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 3f4s h PHE 112 Cb 0.12 0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.32 3f4s h PHE 112 CO -0.04 -0.08 0.04 -0.97 -0.60 0.00 0.00 178.31 176.66 3f4s h ASN 113 N 0.13 0.28 -0.76 2.17 -1.24 -0.66 -2.84 115.58 112.65 3f4s h ASN 113 Ca 0.23 -0.03 -0.35 0.00 0.71 0.00 0.00 56.30 56.86 3f4s h ASN 113 Cb 0.33 -0.07 -0.21 0.00 0.73 0.00 0.00 38.32 39.10 3f4s h ASN 113 CO -0.36 0.30 0.37 -1.54 -1.29 0.00 0.00 177.43 174.91 3f4s n SER 114 N -4.40 3.74 -0.30 1.15 3.41 -0.81 -4.65 113.62 111.77 3f4s n SER 114 Ca 0.00 -3.53 0.16 0.00 -0.26 0.00 0.00 58.87 55.24 3f4s n SER 114 Cb 0.16 -0.76 0.41 0.00 -0.26 0.00 0.00 64.21 63.76 3f4s n SER 114 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3f4s h ILE 115 N 1.45 0.71 0.00 -1.33 2.10 -1.42 -0.39 117.51 118.63 3f4s h ILE 115 Ca 0.43 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 66.16 3f4s h ILE 115 Cb 2.41 0.05 0.00 0.00 -1.09 0.00 0.00 36.82 38.19 3f4s h ILE 115 CO 0.82 0.11 0.00 0.47 -1.08 0.00 0.00 178.15 178.47 3f4s n ASP 116 N -4.62 0.23 -0.62 2.19 9.92 -1.26 -3.11 116.55 119.27 3f4s n ASP 116 Ca 0.21 0.58 0.11 0.00 -0.53 0.00 0.00 54.79 55.17 3f4s n ASP 116 Cb 0.62 -0.62 0.05 0.00 -0.64 0.00 0.00 41.12 40.53 3f4s n ASP 116 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3f4s n SER 117 N -1.79 2.27 -4.61 -2.24 7.64 -0.16 -4.93 113.62 109.80 3f4s n SER 117 Ca 0.01 -1.63 -0.30 0.00 1.01 0.00 0.00 58.87 57.96 3f4s n SER 117 Cb 0.10 0.31 0.19 0.00 -1.01 0.00 0.00 64.21 63.80 3f4s n SER 117 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 3f4s s TRP 118 N -2.33 1.55 -0.50 1.43 0.52 -1.18 -4.71 118.94 113.71 3f4s s TRP 118 Ca 0.22 1.59 -0.21 0.00 0.02 0.00 0.00 56.10 57.72 3f4s s TRP 118 Cb 0.19 -3.26 0.04 0.00 -1.15 0.00 0.00 33.47 29.30 3f4s s TRP 118 CO 0.49 -3.15 0.72 1.21 0.02 0.00 0.00 176.95 176.24 3f4s s ASN 119 N -2.63 6.28 0.00 2.95 3.84 -1.26 -4.92 114.94 119.19 3f4s s ASN 119 Ca 0.67 -0.60 0.31 0.00 0.21 0.00 0.00 52.86 53.45 3f4s s ASN 119 Cb -0.23 -2.34 1.60 0.00 -0.55 0.00 0.00 41.25 39.73 3f4s s ASN 119 CO 0.60 -0.96 2.07 -1.22 -2.79 0.00 0.00 177.10 174.80 3f4s n TYR 120 N 6.57 0.00 -0.13 0.43 4.01 -1.26 -3.78 117.16 123.00 3f4s n TYR 120 Ca -0.03 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.47 3f4s n TYR 120 Cb 0.47 -0.11 -0.08 0.00 -0.31 0.00 0.00 39.34 39.30 3f4s n TYR 120 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 3f4s n TYR 121 N -0.98 0.06 -3.21 -0.72 9.36 -1.26 -4.76 117.16 115.67 3f4s n TYR 121 Ca 0.19 0.03 -0.46 0.00 3.32 0.00 0.00 57.90 60.98 3f4s n TYR 121 Cb 0.20 -0.88 -0.04 0.00 -0.63 0.00 0.00 39.34 37.99 3f4s n TYR 121 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3f4s s ASN 122 N -7.07 6.38 0.00 2.98 2.47 -1.25 -4.90 114.94 113.55 3f4s s ASN 122 Ca -0.36 -1.93 0.21 0.00 0.42 0.00 0.00 52.86 51.20 3f4s s ASN 122 Cb 0.12 -2.26 1.19 0.00 -1.45 0.00 0.00 41.25 38.85 3f4s s ASN 122 CO 0.48 -0.89 1.66 0.18 -3.72 0.00 0.00 177.10 174.81 3f4s n LEU 123 N 5.42 0.00 -0.97 3.21 4.77 -1.25 -1.70 117.00 126.48 3f4s n LEU 123 Ca -0.01 0.11 0.12 0.00 -0.03 0.00 0.00 56.01 56.20 3f4s n LEU 123 Cb 0.44 -0.11 0.12 0.00 -2.33 0.00 0.00 43.42 41.53 3f4s n LEU 123 CO 0.50 -0.04 0.64 -1.20 -1.33 0.00 0.00 177.39 175.96 3f4s n SER 124 N -1.11 3.02 -4.62 -1.43 7.64 -1.26 -4.18 113.62 111.67 3f4s n SER 124 Ca 0.14 -1.99 -0.43 0.00 1.01 0.00 0.00 58.87 57.59 3f4s n SER 124 Cb 0.11 -0.02 -0.02 0.00 -1.01 0.00 0.00 64.21 63.27 3f4s n SER 124 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3f4s s ASP 125 N -1.96 6.71 -0.29 6.43 -1.08 -0.69 -4.90 116.67 120.90 3f4s s ASP 125 Ca 0.29 0.88 0.11 0.00 -0.52 0.00 0.00 52.55 53.31 3f4s s ASP 125 Cb 0.20 -2.54 0.71 0.00 -1.46 0.00 0.00 42.92 39.83 3f4s s ASP 125 CO 0.30 -1.11 1.72 0.18 0.52 0.00 0.00 175.17 176.79 3f4s n LEU 126 N 7.58 5.60 -0.35 -1.34 4.77 -1.26 -4.53 117.00 127.48 3f4s n LEU 126 Ca 0.13 -3.19 0.15 0.00 -0.03 0.00 0.00 56.01 53.07 3f4s n LEU 126 Cb 0.48 -0.70 0.35 0.00 -2.33 0.00 0.00 43.42 41.21 3f4s n LEU 126 CO 0.65 0.80 1.18 0.74 -1.33 0.00 0.00 177.39 179.43 3f4s h THR 127 N 2.64 0.64 -0.65 -5.08 2.02 -1.96 -0.26 112.91 110.26 3f4s h THR 127 Ca 0.18 -0.24 0.04 0.00 0.77 0.00 0.00 66.41 67.17 3f4s h THR 127 Cb 2.11 -0.11 -0.05 0.00 -1.74 0.00 0.00 68.15 68.37 3f4s h THR 127 CO 0.61 0.13 0.39 0.25 0.37 0.00 0.00 175.52 177.26 3f4s h LEU 128 N 0.69 0.62 -0.92 2.58 5.85 -1.84 -0.19 115.31 122.09 3f4s h LEU 128 Ca 0.60 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 59.25 3f4s h LEU 128 Cb 1.03 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 3f4s h LEU 128 CO -0.41 0.42 -0.15 -0.07 -0.34 0.00 0.00 178.44 177.88 3f4s h LEU 129 N 0.75 0.61 -0.94 2.25 3.38 -1.43 -0.88 115.31 119.04 3f4s h LEU 129 Ca 0.27 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3f4s h LEU 129 Cb 0.08 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 3f4s h LEU 129 CO -0.13 0.78 0.60 1.56 0.09 0.00 0.00 178.44 181.34 3f4s h GLN 130 N 0.56 1.26 -0.20 1.13 4.20 -0.57 0.39 115.11 121.87 3f4s h GLN 130 Ca 0.09 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 3f4s h GLN 130 Cb 0.58 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 3f4s h GLN 130 CO 0.04 0.85 0.00 -0.09 -0.67 0.00 0.00 178.83 178.96 3f4s h ARG 131 N 1.29 0.36 -0.72 1.46 1.12 -0.55 -0.88 114.38 116.46 3f4s h ARG 131 Ca 0.34 -0.11 -0.05 0.00 -1.11 0.00 0.00 59.98 59.05 3f4s h ARG 131 Cb -0.11 -0.03 -0.03 0.00 -0.01 0.00 0.00 29.97 29.79 3f4s h ARG 131 CO -0.07 0.55 0.25 0.82 -3.11 0.00 0.00 179.97 178.41 3f4s h ILE 132 N 0.12 1.26 -0.40 1.20 2.04 -0.99 -0.94 117.51 119.80 3f4s h ILE 132 Ca 0.06 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.06 3f4s h ILE 132 Cb 0.39 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 3f4s h ILE 132 CO 0.01 0.34 0.27 0.00 0.00 0.00 0.00 178.15 178.77 3f4s h ALA 133 N 1.12 0.51 -0.39 1.87 0.00 -0.83 -2.04 119.26 119.49 3f4s h ALA 133 Ca 0.23 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3f4s h ALA 133 Cb 0.28 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3f4s h ALA 133 CO -0.01 -0.04 0.19 0.00 0.00 0.00 0.00 179.25 179.39 3f4s h ALA 134 N 1.15 0.51 0.00 0.00 0.00 -0.80 -1.17 119.26 118.95 3f4s h ALA 134 Ca 0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3f4s h ALA 134 Cb -0.06 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3f4s h ALA 134 CO -0.03 0.07 -0.05 -0.07 0.00 0.00 0.00 179.25 179.17 3f4s h LEU 135 N 0.50 0.00 -2.93 0.00 3.38 -0.99 -1.09 115.31 114.17 3f4s h LEU 135 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3f4s h LEU 135 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3f4s h LEU 135 CO -0.02 0.05 0.00 -1.54 0.09 0.00 0.00 178.44 177.02 3f4s n SER 136 N -3.68 4.27 -2.29 -0.43 3.41 -0.78 -4.95 113.62 109.15 3f4s n SER 136 Ca -0.02 -2.21 -0.20 0.00 -0.26 0.00 0.00 58.87 56.18 3f4s n SER 136 Cb 0.15 -0.52 -0.02 0.00 -0.26 0.00 0.00 64.21 63.56 3f4s n SER 136 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3f4s n ASN 137 N 1.35 -5.67 -4.68 4.04 4.13 -0.41 -4.95 115.26 109.06 3f4s n ASN 137 Ca 0.24 0.07 -0.43 0.00 1.68 0.00 0.00 54.58 56.15 3f4s n ASN 137 Cb 0.73 -4.76 -0.02 0.00 -1.54 0.00 0.00 39.78 34.19 3f4s n ASN 137 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3f4s s LEU 138 N -5.82 4.20 0.60 3.41 2.96 -0.50 -5.02 118.68 118.51 3f4s s LEU 138 Ca 0.00 1.53 -0.17 0.00 -0.22 0.00 0.00 54.13 55.27 3f4s s LEU 138 Cb 0.00 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 3f4s s LEU 138 CO 0.00 -0.54 1.11 -0.54 -1.32 0.00 0.00 176.35 175.05 3f4s s LYS 139 N 2.45 3.14 0.24 1.98 1.02 -1.26 -4.55 119.74 122.76 3f4s s LYS 139 Ca 0.48 1.44 -0.05 0.00 0.02 0.00 0.00 55.97 57.87 3f4s s LYS 139 Cb -0.18 -1.99 0.34 0.00 -0.52 0.00 0.00 37.83 35.48 3f4s s LYS 139 CO 0.15 -0.99 1.86 0.37 -0.92 0.00 0.00 175.35 175.81 3f4s h GLN 140 N 0.61 0.97 -0.79 1.68 5.75 -1.98 -0.29 115.11 121.06 3f4s h GLN 140 Ca -0.48 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 57.91 3f4s h GLN 140 Cb 1.25 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 29.54 3f4s h GLN 140 CO 0.56 0.64 0.30 0.38 -2.65 0.00 0.00 178.83 178.06 3f4s h ASP 141 N 1.00 1.10 -0.32 -0.69 3.04 -1.99 0.92 116.42 119.47 3f4s h ASP 141 Ca 0.38 -0.18 -0.06 0.00 -3.24 0.00 0.00 57.03 53.93 3f4s h ASP 141 Cb 0.17 -0.29 -0.01 0.00 -1.04 0.00 0.00 39.33 38.16 3f4s h ASP 141 CO -0.17 0.98 -0.03 0.00 -2.04 0.00 0.00 179.24 177.98 3f4s h ALA 142 N 1.17 0.43 -0.14 4.15 0.00 -1.79 -1.73 119.26 121.35 3f4s h ALA 142 Ca 0.26 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3f4s h ALA 142 Cb 0.23 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 3f4s h ALA 142 CO -0.02 0.22 -0.21 0.35 0.00 0.00 0.00 179.25 179.59 3f4s h PHE 143 N 0.37 -0.55 -0.75 0.00 3.57 -0.73 -0.70 116.94 118.15 3f4s h PHE 143 Ca 0.09 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 3f4s h PHE 143 Cb 0.49 0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.46 3f4s h PHE 143 CO 0.04 -0.29 0.42 -0.91 -2.23 0.00 0.00 178.31 175.34 3f4s h ASN 144 N -0.26 0.94 -0.42 0.41 2.35 -0.74 -1.01 115.58 116.84 3f4s h ASN 144 Ca 0.10 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 3f4s h ASN 144 Cb 0.41 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 3f4s h ASN 144 CO -0.29 0.76 0.17 -0.61 -1.65 0.00 0.00 177.43 175.80 3f4s h GLN 145 N 1.04 0.63 -0.42 0.81 4.15 -1.08 -2.66 115.11 117.57 3f4s h GLN 145 Ca 0.27 -0.11 -0.05 0.00 0.77 0.00 0.00 58.65 59.52 3f4s h GLN 145 Cb 0.02 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 3f4s h GLN 145 CO -0.04 0.58 0.05 0.00 -1.93 0.00 0.00 178.83 177.49 3f4s n ILE 147 N -4.48 0.29 -0.10 0.00 -5.35 -0.43 -2.75 119.36 106.54 3f4s n ILE 147 Ca -0.00 0.07 0.03 0.00 -0.27 0.00 0.00 62.75 62.58 3f4s n ILE 147 Cb 0.25 -0.66 0.08 0.00 -1.74 0.00 0.00 39.64 37.57 3f4s n ILE 147 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3f4s n ASN 148 N -1.40 2.51 -4.56 7.28 3.02 -1.01 -4.98 115.26 116.13 3f4s n ASN 148 Ca 0.09 -2.00 -0.41 0.00 -0.03 0.00 0.00 54.58 52.23 3f4s n ASN 148 Cb 0.24 -0.13 -0.03 0.00 -0.61 0.00 0.00 39.78 39.25 3f4s n ASN 148 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3f4s s ASP 149 N -1.00 5.96 0.36 6.41 -1.08 -0.88 -4.86 116.67 121.58 3f4s s ASP 149 Ca 0.13 -0.08 0.03 0.00 -0.52 0.00 0.00 52.55 52.11 3f4s s ASP 149 Cb 0.07 -2.55 0.66 0.00 -1.46 0.00 0.00 42.92 39.64 3f4s s ASP 149 CO 0.09 -1.92 1.99 0.11 0.52 0.00 0.00 175.17 175.95 3f4s h LYS 150 N 11.39 0.73 -0.68 4.34 1.57 -1.91 -1.18 116.57 130.84 3f4s h LYS 150 Ca -0.27 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.38 3f4s h LYS 150 Cb 1.09 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.21 3f4s h LYS 150 CO 1.24 0.52 0.19 0.87 -0.57 0.00 0.00 179.45 181.70 3f4s h LYS 151 N 0.74 1.07 -0.31 3.15 1.57 -2.00 -0.58 116.57 120.22 3f4s h LYS 151 Ca 0.19 -0.25 -0.14 0.00 -1.87 0.00 0.00 60.65 58.59 3f4s h LYS 151 Cb -0.01 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 3f4s h LYS 151 CO -0.03 0.94 -0.34 0.82 -0.57 0.00 0.00 179.45 180.27 3f4s h ILE 152 N 1.00 1.29 -0.37 1.86 1.08 -1.85 -2.24 117.51 118.29 3f4s h ILE 152 Ca 0.21 -1.52 0.06 0.00 -0.39 0.00 0.00 64.86 63.23 3f4s h ILE 152 Cb 0.34 1.56 -0.05 0.00 -3.07 0.00 0.00 36.82 35.60 3f4s h ILE 152 CO -0.00 0.49 0.06 -0.03 -0.69 0.00 0.00 178.15 177.98 3f4s h MET 153 N 0.53 0.17 -0.58 2.37 4.05 -1.01 -0.54 114.93 119.92 3f4s h MET 153 Ca 0.04 -0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.49 3f4s h MET 153 Cb 0.92 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 31.64 3f4s h MET 153 CO 0.08 0.11 0.33 -0.44 0.23 0.00 0.00 176.91 177.22 3f4s h ASP 154 N 0.18 0.50 -0.46 1.39 3.32 -1.06 -0.79 116.42 119.50 3f4s h ASP 154 Ca 0.18 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 3f4s h ASP 154 Cb 0.21 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3f4s h ASP 154 CO -0.25 0.34 0.20 0.50 -1.72 0.00 0.00 179.24 178.32 3f4s h LYS 155 N 0.63 0.67 -0.06 3.56 3.64 -0.91 -0.80 116.57 123.30 3f4s h LYS 155 Ca 0.25 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3f4s h LYS 155 Cb 0.10 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3f4s h LYS 155 CO -0.14 0.59 0.03 0.82 -2.27 0.00 0.00 179.45 178.48 3f4s h ILE 156 N 0.60 1.08 -0.00 2.00 2.04 -0.63 0.03 117.51 122.62 3f4s h ILE 156 Ca 0.16 -0.22 -0.10 0.00 1.00 0.00 0.00 64.86 65.70 3f4s h ILE 156 Cb 0.15 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 3f4s h ILE 156 CO -0.02 0.07 -0.47 -0.37 0.00 0.00 0.00 178.15 177.36 3f4s h VAL 157 N 0.01 1.34 -0.07 1.67 -1.51 -1.07 -1.42 116.25 115.21 3f4s h VAL 157 Ca 0.02 -1.62 -0.24 0.00 -1.23 0.00 0.00 66.70 63.63 3f4s h VAL 157 Cb 0.08 1.87 0.01 0.00 -2.13 0.00 0.00 31.29 31.12 3f4s h VAL 157 CO -0.00 0.46 -0.90 0.78 -1.23 0.00 0.00 177.57 176.68 3f4s h ASN 158 N 0.00 0.85 -0.98 4.19 4.21 -0.98 -1.07 115.58 121.80 3f4s h ASN 158 Ca -0.00 -0.62 0.01 0.00 1.21 0.00 0.00 56.30 56.89 3f4s h ASN 158 Cb 0.84 -0.25 -0.05 0.00 -1.12 0.00 0.00 38.32 37.73 3f4s h ASN 158 CO 0.06 1.41 0.64 0.44 -1.29 0.00 0.00 177.43 178.69 3f4s h ASP 159 N 0.43 1.14 -0.13 5.81 3.32 -0.82 -0.78 116.42 125.39 3f4s h ASP 159 Ca -0.09 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 3f4s h ASP 159 Cb 1.54 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 3f4s h ASP 159 CO 0.18 0.83 0.05 0.50 -1.72 0.00 0.00 179.24 179.07 3f4s h LYS 160 N 1.33 0.20 -0.19 3.56 3.64 -1.17 -2.24 116.57 121.70 3f4s h LYS 160 Ca 0.36 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.62 3f4s h LYS 160 Cb -0.14 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 3f4s h LYS 160 CO -0.08 0.31 -0.21 0.66 -2.27 0.00 0.00 179.45 177.87 3f4s h SER 161 N 0.04 0.33 -0.60 4.20 4.64 -0.90 -1.19 113.55 120.07 3f4s h SER 161 Ca 0.04 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 3f4s h SER 161 Cb 0.19 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.17 3f4s h SER 161 CO -0.00 0.55 0.33 0.25 -0.87 0.00 0.00 176.83 177.09 3f4s h LEU 162 N 0.31 0.75 -0.69 5.97 5.85 -1.08 -0.70 115.31 125.72 3f4s h LEU 162 Ca 0.05 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 3f4s h LEU 162 Cb 0.55 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3f4s h LEU 162 CO 0.04 0.63 0.13 0.00 -0.34 0.00 0.00 178.44 178.89 3f4s h ALA 163 N 1.15 0.92 -0.59 1.25 0.00 -0.79 0.61 119.26 121.80 3f4s h ALA 163 Ca 0.21 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3f4s h ALA 163 Cb 0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3f4s h ALA 163 CO -0.03 0.67 0.30 0.82 0.00 0.00 0.00 179.25 181.01 3f4s h ILE 164 N 1.06 1.20 0.09 0.00 2.04 -0.91 0.77 117.51 121.77 3f4s h ILE 164 Ca 0.21 -0.56 -0.28 0.00 1.00 0.00 0.00 64.86 65.24 3f4s h ILE 164 Cb 0.43 0.48 0.02 0.00 -0.74 0.00 0.00 36.82 37.01 3f4s h ILE 164 CO 0.01 0.23 -1.17 0.78 0.00 0.00 0.00 178.15 178.00 3f4s h ASN 165 N 0.81 0.70 0.19 1.72 2.35 -0.91 -2.81 115.58 117.64 3f4s h ASN 165 Ca 0.21 -0.64 -0.15 0.00 -0.55 0.00 0.00 56.30 55.16 3f4s h ASN 165 Cb 0.09 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 3f4s h ASN 165 CO -0.03 1.46 -1.96 0.29 -1.65 0.00 0.00 177.43 175.54 3f4s n LYS 166 N -3.73 0.66 0.00 0.81 4.76 0.19 -4.55 118.16 116.30 3f4s n LYS 166 Ca -0.11 -0.04 0.02 0.00 -2.87 0.00 0.00 58.31 55.32 3f4s n LYS 166 Cb 0.95 -1.59 0.00 0.00 -1.84 0.00 0.00 35.03 32.55 3f4s n LYS 166 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3f4s n LEU 167 N -2.57 0.89 -1.67 -0.35 4.77 0.24 -4.56 117.00 113.76 3f4s n LEU 167 Ca -0.14 -0.79 -0.14 0.00 -0.03 0.00 0.00 56.01 54.90 3f4s n LEU 167 Cb 0.82 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 3f4s n LEU 167 CO 0.44 0.20 -0.13 0.61 -1.33 0.00 0.00 177.39 177.17 3f4s n GLY 168 N 0.61 -0.17 3.68 -0.72 0.00 -1.05 -4.97 105.19 102.57 3f4s n GLY 168 Ca 0.02 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 3f4s n GLY 168 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f4s s ILE 169 N -2.75 4.41 0.00 -0.61 1.01 -1.23 -4.88 121.20 117.16 3f4s s ILE 169 Ca 0.05 1.71 -0.03 0.00 0.00 0.00 0.00 60.65 62.39 3f4s s ILE 169 Cb -0.02 -4.10 -0.01 0.00 0.01 0.00 0.00 42.46 38.33 3f4s s ILE 169 CO 0.06 -0.03 -0.06 0.35 0.00 0.00 0.00 174.94 175.26 3f4s n THR 170 N 4.74 0.76 -4.07 2.92 -2.24 -1.26 -4.61 114.28 110.52 3f4s n THR 170 Ca 0.11 0.15 -0.25 0.00 -2.27 0.00 0.00 64.05 61.78 3f4s n THR 170 Cb 0.47 -1.64 -0.05 0.00 -2.10 0.00 0.00 70.33 67.01 3f4s n THR 170 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f4s s ALA 171 N -2.12 3.63 0.20 6.98 0.00 -1.26 -5.13 121.76 124.06 3f4s s ALA 171 Ca -0.06 -1.23 0.10 0.00 0.00 0.00 0.00 51.96 50.78 3f4s s ALA 171 Cb 0.02 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.68 3f4s s ALA 171 CO 0.08 0.46 -0.20 0.14 0.00 0.00 0.00 175.76 176.23 3f4s s VAL 172 N -1.82 2.14 0.61 0.00 -7.23 -1.26 -4.47 120.40 108.38 3f4s s VAL 172 Ca 0.32 -2.10 -0.09 0.00 -1.81 0.00 0.00 61.98 58.30 3f4s s VAL 172 Cb -0.10 -2.06 -0.01 0.00 0.56 0.00 0.00 36.38 34.76 3f4s s VAL 172 CO 0.24 -0.29 0.97 -2.16 -0.31 0.00 0.00 175.10 173.55 3f4s s PRO 173 N -3.00 3.25 -0.01 4.82 0.04 -1.26 -4.78 135.00 134.06 3f4s s PRO 173 Ca 0.21 0.41 0.04 0.00 0.04 0.00 0.00 61.00 61.70 3f4s s PRO 173 Cb -0.06 -2.16 -0.01 0.00 0.04 0.00 0.00 34.50 32.31 3f4s s PRO 173 CO 0.10 -0.65 -0.13 0.42 0.04 0.00 0.00 177.00 176.78 3f4s s ILE 174 N -3.11 1.00 -0.04 0.56 -1.09 -0.64 -1.40 121.20 116.48 3f4s s ILE 174 Ca 0.54 -0.54 0.05 0.00 -2.23 0.00 0.00 60.65 58.47 3f4s s ILE 174 Cb -0.11 -0.83 -0.01 0.00 -1.58 0.00 0.00 42.46 39.93 3f4s s ILE 174 CO 0.50 0.28 -0.18 -0.36 -1.23 0.00 0.00 174.94 173.95 3f4s s PHE 175 N -0.29 1.78 -0.18 3.97 0.08 0.66 -0.89 117.98 123.11 3f4s s PHE 175 Ca 0.05 -0.47 -0.01 0.00 0.12 0.00 0.00 56.93 56.62 3f4s s PHE 175 Cb -0.05 -1.18 0.00 0.00 -0.57 0.00 0.00 43.02 41.22 3f4s s PHE 175 CO -0.00 -0.13 -0.13 -0.06 -0.10 0.00 0.00 175.22 174.80 3f4s s PHE 176 N -0.12 2.84 -0.15 0.36 0.08 0.57 -0.33 117.98 121.24 3f4s s PHE 176 Ca -0.01 -1.14 0.00 0.00 0.12 0.00 0.00 56.93 55.90 3f4s s PHE 176 Cb -0.11 -1.97 0.02 0.00 -0.57 0.00 0.00 43.02 40.40 3f4s s PHE 176 CO 0.02 -0.57 -0.14 0.42 -0.10 0.00 0.00 175.22 174.84 3f4s s ILE 177 N 1.14 1.57 0.27 0.64 1.01 -0.63 -0.64 121.20 124.56 3f4s s ILE 177 Ca 0.01 -0.64 -0.16 0.00 0.00 0.00 0.00 60.65 59.86 3f4s s ILE 177 Cb -0.14 -1.47 0.01 0.00 0.01 0.00 0.00 42.46 40.86 3f4s s ILE 177 CO -0.04 0.46 0.59 -1.59 0.00 0.00 0.00 174.94 174.36 3f4s s LYS 178 N 1.44 1.69 0.30 2.79 -2.85 -0.55 -4.77 119.74 117.79 3f4s s LYS 178 Ca 0.04 -1.17 -0.29 0.00 -1.00 0.00 0.00 55.97 53.54 3f4s s LYS 178 Cb -0.13 0.53 -0.11 0.00 -2.06 0.00 0.00 37.83 36.07 3f4s s LYS 178 CO -0.10 -0.74 1.46 -0.51 0.10 0.00 0.00 175.35 175.56 3f4s s LEU 179 N -2.99 4.37 -1.51 2.77 1.43 -1.26 -0.40 118.68 121.09 3f4s s LEU 179 Ca 0.18 2.81 -0.12 0.00 -1.03 0.00 0.00 54.13 55.96 3f4s s LEU 179 Cb -0.03 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.55 3f4s s LEU 179 CO 0.09 -0.75 2.50 -3.20 0.23 0.00 0.00 176.35 175.21 3f4s n ASN 180 N 1.70 6.05 -3.91 2.29 5.15 -0.32 -4.65 115.26 121.58 3f4s n ASN 180 Ca 0.05 -2.77 -0.30 0.00 -0.60 0.00 0.00 54.58 50.96 3f4s n ASN 180 Cb 0.40 -1.59 -0.16 0.00 -0.53 0.00 0.00 39.78 37.89 3f4s n ASN 180 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 3f4s s ASP 181 N 2.50 3.58 0.17 1.20 -4.77 -1.26 -4.93 116.67 113.15 3f4s s ASP 181 Ca 0.56 -1.05 0.16 0.00 -3.30 0.00 0.00 52.55 48.92 3f4s s ASP 181 Cb 0.15 -1.08 0.74 0.00 -1.09 0.00 0.00 42.92 41.64 3f4s s ASP 181 CO -0.07 -0.23 1.48 0.47 0.70 0.00 0.00 175.17 177.52 3f4s n ASP 182 N 4.74 0.35 0.00 2.11 9.92 -1.26 -2.58 116.55 129.84 3f4s n ASP 182 Ca -0.12 0.63 0.11 0.00 -0.53 0.00 0.00 54.79 54.88 3f4s n ASP 182 Cb 0.45 -0.69 0.12 0.00 -0.64 0.00 0.00 41.12 40.36 3f4s n ASP 182 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3f4s n LYS 183 N -1.93 0.01 -3.18 -1.24 5.02 -1.26 -4.97 118.16 110.62 3f4s n LYS 183 Ca 0.01 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.98 3f4s n LYS 183 Cb 0.10 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.56 3f4s n LYS 183 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3f4s s SER 184 N -3.05 6.66 -0.12 4.39 0.15 -1.06 -5.09 113.70 115.59 3f4s s SER 184 Ca 0.10 1.11 -0.02 0.00 0.70 0.00 0.00 55.95 57.84 3f4s s SER 184 Cb 0.17 -2.31 -0.03 0.00 -1.71 0.00 0.00 66.02 62.14 3f4s s SER 184 CO 0.76 -0.20 -0.06 -0.47 1.20 0.00 0.00 173.24 174.47 3f4s s TYR 185 N -2.02 2.97 -0.14 3.44 5.04 -1.26 -5.06 117.35 120.33 3f4s s TYR 185 Ca 0.51 -0.22 -0.17 0.00 -2.44 0.00 0.00 57.07 54.75 3f4s s TYR 185 Cb -0.11 -1.86 0.04 0.00 0.35 0.00 0.00 41.96 40.39 3f4s s TYR 185 CO 0.22 0.08 0.45 -1.50 -1.34 0.00 0.00 175.55 173.46 3f4s s ILE 186 N -0.07 0.01 0.12 3.14 2.07 -1.26 -5.13 121.20 120.07 3f4s s ILE 186 Ca 0.01 -0.08 -0.31 0.00 -1.41 0.00 0.00 60.65 58.86 3f4s s ILE 186 Cb -0.13 -0.66 -0.09 0.00 0.13 0.00 0.00 42.46 41.71 3f4s s ILE 186 CO 0.03 -0.04 1.49 -1.61 -1.91 0.00 0.00 174.94 172.90 3f4s s GLU 187 N -0.12 4.26 0.44 3.50 2.02 -1.26 -4.82 118.70 122.72 3f4s s GLU 187 Ca -0.03 2.20 0.12 0.00 0.02 0.00 0.00 54.97 57.29 3f4s s GLU 187 Cb -0.03 -3.29 1.02 0.00 0.10 0.00 0.00 34.13 31.93 3f4s s GLU 187 CO 0.02 -0.55 2.03 1.12 0.02 0.00 0.00 175.26 177.90 3f4s h HIS 188 N 7.10 0.38 0.00 1.61 2.07 -1.97 -1.02 115.15 123.32 3f4s h HIS 188 Ca -0.42 0.01 -0.03 0.00 -2.85 0.00 0.00 60.37 57.08 3f4s h HIS 188 Cb 1.20 -0.13 -0.00 0.00 2.57 0.00 0.00 27.41 31.05 3f4s h HIS 188 CO 0.68 0.21 -0.15 -0.91 -3.07 0.00 0.00 177.93 174.69 3f4s h ASN 189 N 0.38 0.00 1.20 3.10 2.35 -1.95 -2.64 115.58 118.02 3f4s h ASN 189 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 3f4s h ASN 189 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 3f4s h ASN 189 CO -0.05 0.15 0.00 0.11 -1.65 0.00 0.00 177.43 175.99 3f4s h LYS 190 N 0.00 0.00 -0.07 0.81 1.57 -1.56 -3.09 116.57 114.22 3f4s h LYS 190 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3f4s h LYS 190 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 3f4s h LYS 190 CO 0.02 0.00 0.00 1.33 -0.57 0.00 0.00 179.45 180.23 3f4s n VAL 191 N -3.00 1.96 -3.82 0.50 0.24 -1.01 -5.03 118.33 108.17 3f4s n VAL 191 Ca 0.01 -2.10 -0.37 0.00 -2.04 0.00 0.00 64.34 59.84 3f4s n VAL 191 Cb 0.35 -0.21 -0.06 0.00 -1.47 0.00 0.00 33.84 32.45 3f4s n VAL 191 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3f4s s LYS 192 N -2.78 3.52 -0.03 7.34 2.20 -1.15 -1.61 119.74 127.23 3f4s s LYS 192 Ca 0.34 -0.05 0.01 0.00 -0.36 0.00 0.00 55.97 55.90 3f4s s LYS 192 Cb 0.28 -3.19 0.03 0.00 -1.51 0.00 0.00 37.83 33.45 3f4s s LYS 192 CO 0.05 0.76 -0.01 -1.01 -0.36 0.00 0.00 175.35 174.77 3f4s s HIS 193 N -1.06 0.40 0.06 4.03 3.76 0.55 -4.99 115.29 118.03 3f4s s HIS 193 Ca 0.18 -0.04 0.09 0.00 -0.15 0.00 0.00 55.06 55.14 3f4s s HIS 193 Cb -0.13 -0.46 -0.03 0.00 1.11 0.00 0.00 32.58 33.07 3f4s s HIS 193 CO 0.07 -0.14 -0.26 0.20 -0.85 0.00 0.00 174.74 173.76 3f4s s GLY 194 N 0.98 1.41 0.00 -2.22 0.00 -1.26 -0.25 107.32 105.98 3f4s s GLY 194 Ca -0.10 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 43.33 3f4s s GLY 194 CO -0.01 -1.19 0.00 0.61 0.00 0.00 0.00 173.10 172.51 3f4s n GLY 195 N 1.65 -2.17 3.68 0.20 0.00 -0.50 -4.84 105.19 103.21 3f4s n GLY 195 Ca -0.17 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 3f4s n GLY 195 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3f4s s TYR 196 N -0.22 2.89 -0.02 1.61 5.04 -1.26 -4.75 117.35 120.65 3f4s s TYR 196 Ca 0.00 0.94 0.06 0.00 -2.44 0.00 0.00 57.07 55.63 3f4s s TYR 196 Cb 0.00 -3.57 -0.01 0.00 0.35 0.00 0.00 41.96 38.72 3f4s s TYR 196 CO 0.00 -2.04 -0.21 0.15 -1.34 0.00 0.00 175.55 172.11 3f4s s LYS 197 N 2.68 1.72 0.83 4.97 -0.14 -1.26 -5.14 119.74 123.40 3f4s s LYS 197 Ca 0.60 -0.74 -0.11 0.00 -1.36 0.00 0.00 55.97 54.36 3f4s s LYS 197 Cb -0.27 -1.64 0.09 0.00 -1.68 0.00 0.00 37.83 34.33 3f4s s LYS 197 CO 0.23 0.43 1.10 -1.83 -0.76 0.00 0.00 175.35 174.51 3f4s s GLU 198 N -0.44 1.83 0.20 1.68 -1.05 -1.26 -4.91 118.70 114.75 3f4s s GLU 198 Ca 0.07 0.70 -0.11 0.00 -0.15 0.00 0.00 54.97 55.48 3f4s s GLU 198 Cb -0.08 -1.88 0.25 0.00 -0.44 0.00 0.00 34.13 31.97 3f4s s GLU 198 CO -0.00 -1.81 1.71 1.25 0.95 0.00 0.00 175.26 177.35 3f4s h LEU 199 N -1.23 -0.02 -1.74 1.83 5.85 -1.92 -2.14 115.31 115.93 3f4s h LEU 199 Ca -0.48 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.35 3f4s h LEU 199 Cb 1.27 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.44 3f4s h LEU 199 CO 0.58 0.01 0.13 0.50 -0.34 0.00 0.00 178.44 179.31 3f4s h LYS 200 N 0.24 0.30 -0.04 1.25 3.64 -1.99 0.48 116.57 120.45 3f4s h LYS 200 Ca 0.29 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 3f4s h LYS 200 Cb 0.41 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3f4s h LYS 200 CO -0.38 0.22 0.03 -0.92 -2.27 0.00 0.00 179.45 176.13 3f4s h TYR 201 N 0.31 0.06 -0.38 1.91 3.20 -1.75 -1.50 116.97 118.81 3f4s h TYR 201 Ca 0.08 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.82 3f4s h TYR 201 Cb -0.00 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 3f4s h TYR 201 CO 0.00 0.05 -0.32 0.74 -1.64 0.00 0.00 178.16 177.00 3f4s h PHE 202 N 0.05 0.98 -0.72 -3.82 0.04 -1.19 -2.43 116.94 109.84 3f4s h PHE 202 Ca 0.02 -0.26 -0.05 0.00 2.80 0.00 0.00 57.97 60.48 3f4s h PHE 202 Cb 0.01 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 37.91 3f4s h PHE 202 CO -0.07 1.04 0.26 1.79 -0.60 0.00 0.00 178.31 180.73 3f4s h THR 203 N 0.70 1.25 -0.06 -1.55 1.35 -0.87 0.98 112.91 114.71 3f4s h THR 203 Ca 0.08 -0.82 -0.00 0.00 -0.55 0.00 0.00 66.41 65.11 3f4s h THR 203 Cb 0.87 0.42 -0.00 0.00 -1.73 0.00 0.00 68.15 67.71 3f4s h THR 203 CO 0.08 0.33 0.03 0.78 -0.25 0.00 0.00 175.52 176.48 3f4s h ASN 204 N 1.05 0.07 -0.07 5.36 2.35 -1.20 0.29 115.58 123.44 3f4s h ASN 204 Ca 0.24 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3f4s h ASN 204 Cb 0.24 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 3f4s h ASN 204 CO -0.02 0.17 0.04 0.58 -1.65 0.00 0.00 177.43 176.56 3f4s h VAL 205 N -0.03 1.07 -0.22 2.81 2.07 -1.21 -2.57 116.25 118.16 3f4s h VAL 205 Ca 0.02 -0.18 -0.12 0.00 0.82 0.00 0.00 66.70 67.23 3f4s h VAL 205 Cb 0.12 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3f4s h VAL 205 CO -0.00 0.06 -0.34 0.40 0.02 0.00 0.00 177.57 177.71 3f4s h ILE 206 N 0.04 1.32 -0.47 4.57 2.04 -0.78 -2.33 117.51 121.91 3f4s h ILE 206 Ca 0.03 -1.55 0.05 0.00 1.00 0.00 0.00 64.86 64.39 3f4s h ILE 206 Cb 0.06 1.79 -0.05 0.00 -0.74 0.00 0.00 36.82 37.88 3f4s h ILE 206 CO -0.00 0.48 0.21 0.44 0.00 0.00 0.00 178.15 179.27 3f4s h ASP 207 N 0.31 0.27 -0.60 1.72 3.32 -0.97 0.20 116.42 120.66 3f4s h ASP 207 Ca 0.02 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 3f4s h ASP 207 Cb 0.93 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.44 3f4s h ASP 207 CO 0.08 0.19 0.29 0.50 -1.72 0.00 0.00 179.24 178.58 3f4s h LYS 208 N 0.41 0.87 -0.36 3.56 3.64 -1.40 -1.28 116.57 122.00 3f4s h LYS 208 Ca 0.21 -0.13 -0.12 0.00 -1.27 0.00 0.00 60.65 59.35 3f4s h LYS 208 Cb 0.17 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3f4s h LYS 208 CO -0.18 0.70 -0.25 1.25 -2.27 0.00 0.00 179.45 178.70 3f4s h LEU 209 N 0.82 0.84 -0.74 5.20 5.85 -1.09 -2.69 115.31 123.50 3f4s h LEU 209 Ca 0.21 -0.43 0.01 0.00 0.84 0.00 0.00 57.88 58.50 3f4s h LEU 209 Cb 0.12 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 3f4s h LEU 209 CO -0.03 1.09 0.49 0.22 -0.34 0.00 0.00 178.44 179.87 3f4s h TYR 210 N 0.59 0.94 -0.28 1.25 3.20 -0.40 0.14 116.97 122.40 3f4s h TYR 210 Ca 0.07 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.99 3f4s h TYR 210 Cb 0.81 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.74 3f4s h TYR 210 CO 0.06 0.59 0.11 0.78 -1.64 0.00 0.00 178.16 178.06 3f4s h GLY 211 N 1.01 0.35 1.25 1.82 0.00 -1.16 -0.03 103.07 106.32 3f4s h GLY 211 Ca 0.27 -0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.50 3f4s h GLY 211 CO -0.06 0.04 0.25 0.50 0.00 0.00 0.00 176.54 177.27 3f4s h LYS 212 N 0.24 0.95 0.24 4.80 1.57 -1.11 -2.52 116.57 120.74 3f4s h LYS 212 Ca 0.12 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3f4s h LYS 212 Cb 0.08 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3f4s h LYS 212 CO -0.12 0.78 -0.12 0.00 -0.57 0.00 0.00 179.45 179.43 3f4s h ALA 213 N 1.34 -0.33 -0.87 3.86 0.00 -0.00 -2.14 119.26 121.11 3f4s h ALA 213 Ca 0.22 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3f4s h ALA 213 Cb 0.19 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3f4s h ALA 213 CO -0.02 -0.67 0.53 0.82 0.00 0.00 0.00 179.25 179.91 3f4s h ILE 214 N -0.35 1.24 -0.34 0.00 1.08 -0.93 0.75 117.51 118.95 3f4s h ILE 214 Ca -0.03 -0.51 0.00 0.00 -0.39 0.00 0.00 64.86 63.93 3f4s h ILE 214 Cb 0.27 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.00 3f4s h ILE 214 CO 0.06 0.25 0.23 0.58 -0.69 0.00 0.00 178.15 178.57 3f4s h VAL 215 N 1.20 1.09 -0.53 1.67 2.07 -1.35 -2.09 116.25 118.31 3f4s h VAL 215 Ca 0.31 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.58 3f4s h VAL 215 Cb -0.06 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 3f4s h VAL 215 CO -0.06 0.09 -0.05 0.50 0.02 0.00 0.00 177.57 178.07 3f4s h LYS 216 N 0.47 0.94 0.00 1.57 3.64 -0.81 -1.75 116.57 120.63 3f4s h LYS 216 Ca 0.13 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3f4s h LYS 216 Cb -0.05 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3f4s h LYS 216 CO -0.03 0.95 0.00 1.28 -2.27 0.00 0.00 179.45 179.39 3f4s n LEU 217 N -4.17 0.00 0.00 5.20 4.77 0.21 -5.11 117.00 117.89 3f4s n LEU 217 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3f4s n LEU 217 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3f4s n LEU 217 CO 0.44 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.88