#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ab4 s ALA 10 N 0.00 -0.02 0.10 1.55 0.00 -0.92 -5.01 121.76 117.47 3ab4 s ALA 10 Ca 0.00 -0.48 0.10 0.00 0.00 0.00 0.00 51.96 51.58 3ab4 s ALA 10 Cb 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 3ab4 s ALA 10 CO 0.00 -0.20 -0.24 0.95 0.00 0.00 0.00 175.76 176.26 3ab4 s THR 11 N -1.68 2.02 -0.03 0.00 -4.23 -1.26 -1.79 115.64 108.67 3ab4 s THR 11 Ca -0.13 -1.60 -0.00 0.00 -1.18 0.00 0.00 61.69 58.78 3ab4 s THR 11 Cb -0.07 -1.79 0.03 0.00 1.34 0.00 0.00 72.50 72.00 3ab4 s THR 11 CO -0.01 0.09 0.03 -0.62 -0.54 0.00 0.00 174.62 173.57 3ab4 s ASP 12 N -1.83 0.36 -0.23 3.99 -1.08 0.62 -5.00 116.67 113.50 3ab4 s ASP 12 Ca 0.11 0.04 0.11 0.00 -0.52 0.00 0.00 52.55 52.30 3ab4 s ASP 12 Cb -0.10 -0.10 0.44 0.00 -1.46 0.00 0.00 42.92 41.70 3ab4 s ASP 12 CO 0.05 -0.16 1.20 2.29 0.52 0.00 0.00 175.17 179.07 3ab4 n LYS 13 N 4.45 2.26 -0.06 4.34 -0.00 -1.26 -0.98 118.16 126.91 3ab4 n LYS 13 Ca -0.22 -3.55 0.03 0.00 -0.00 0.00 0.00 58.31 54.57 3ab4 n LYS 13 Cb 0.50 -1.74 0.06 0.00 -0.00 0.00 0.00 35.03 33.85 3ab4 n LYS 13 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 3ab4 n SER 14 N -0.79 2.30 -4.42 -5.58 3.41 -1.26 -5.03 113.62 102.25 3ab4 n SER 14 Ca 0.27 -2.20 -0.33 0.00 -0.26 0.00 0.00 58.87 56.35 3ab4 n SER 14 Cb 0.84 -0.13 -0.14 0.00 -0.26 0.00 0.00 64.21 64.53 3ab4 n SER 14 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3ab4 s GLU 15 N -1.35 2.85 0.18 4.33 2.02 -1.26 -1.32 118.70 124.15 3ab4 s GLU 15 Ca 0.11 -0.71 -0.08 0.00 0.02 0.00 0.00 54.97 54.31 3ab4 s GLU 15 Cb 0.08 -2.46 -0.06 0.00 0.10 0.00 0.00 34.13 31.79 3ab4 s GLU 15 CO 0.04 0.44 0.46 0.00 0.02 0.00 0.00 175.26 176.22 3ab4 s ALA 16 N -0.26 3.67 -0.21 5.21 0.00 -0.23 -4.39 121.76 125.55 3ab4 s ALA 16 Ca 0.01 -0.39 -0.05 0.00 0.00 0.00 0.00 51.96 51.53 3ab4 s ALA 16 Cb -0.13 -2.30 -0.02 0.00 0.00 0.00 0.00 23.12 20.67 3ab4 s ALA 16 CO 0.03 0.58 -0.01 0.21 0.00 0.00 0.00 175.76 176.56 3ab4 s LYS 17 N -2.63 3.52 -0.03 0.00 2.20 0.14 -2.14 119.74 120.79 3ab4 s LYS 17 Ca 0.43 -0.56 0.05 0.00 -0.36 0.00 0.00 55.97 55.53 3ab4 s LYS 17 Cb -0.12 -3.07 -0.01 0.00 -1.51 0.00 0.00 37.83 33.13 3ab4 s LYS 17 CO 0.22 -0.09 -0.19 0.54 -0.36 0.00 0.00 175.35 175.47 3ab4 s VAL 18 N 1.25 1.54 -0.12 4.02 0.11 -0.49 -1.44 120.40 125.27 3ab4 s VAL 18 Ca 0.03 -0.81 -0.01 0.00 -2.93 0.00 0.00 61.98 58.27 3ab4 s VAL 18 Cb -0.15 -1.30 0.03 0.00 -1.53 0.00 0.00 36.38 33.44 3ab4 s VAL 18 CO 0.00 0.44 -0.06 -0.89 -3.33 0.00 0.00 175.10 171.26 3ab4 s THR 19 N -0.23 0.94 -0.58 5.04 2.01 -0.82 -0.54 115.64 121.46 3ab4 s THR 19 Ca 0.02 -0.31 -0.20 0.00 0.31 0.00 0.00 61.69 61.51 3ab4 s THR 19 Cb -0.10 -1.03 0.09 0.00 0.01 0.00 0.00 72.50 71.47 3ab4 s THR 19 CO 0.01 0.28 0.72 -0.69 -0.69 0.00 0.00 174.62 174.26 3ab4 s VAL 20 N 1.73 4.76 0.19 3.82 1.01 0.95 -1.11 120.40 131.76 3ab4 s VAL 20 Ca 0.04 -0.75 -0.26 0.00 0.00 0.00 0.00 61.98 61.01 3ab4 s VAL 20 Cb -0.13 -4.47 -0.08 0.00 0.00 0.00 0.00 36.38 31.70 3ab4 s VAL 20 CO -0.08 -1.09 0.82 -0.76 0.00 0.00 0.00 175.10 174.00 3ab4 s LEU 21 N 2.88 4.58 -0.07 3.92 1.43 0.83 -2.08 118.68 130.18 3ab4 s LEU 21 Ca 0.14 1.71 -0.00 0.00 -1.03 0.00 0.00 54.13 54.95 3ab4 s LEU 21 Cb -0.22 -3.42 0.00 0.00 0.03 0.00 0.00 46.19 42.58 3ab4 s LEU 21 CO 0.09 0.17 0.06 0.61 0.23 0.00 0.00 176.35 177.51 3ab4 n GLY 22 N 1.46 0.78 3.68 -3.19 0.00 -0.31 -2.25 105.19 105.35 3ab4 n GLY 22 Ca -0.04 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 3ab4 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ab4 s ILE 23 N -3.02 4.87 -0.31 -0.61 1.01 1.14 -3.77 121.20 120.51 3ab4 s ILE 23 Ca 0.02 1.70 -0.34 0.00 0.00 0.00 0.00 60.65 62.03 3ab4 s ILE 23 Cb -0.01 -4.17 -0.11 0.00 0.01 0.00 0.00 42.46 38.19 3ab4 s ILE 23 CO 0.04 0.04 2.16 -0.24 0.00 0.00 0.00 174.94 176.93 3ab4 n SER 24 N 5.06 2.36 -4.29 3.58 2.88 -1.26 0.18 113.62 122.13 3ab4 n SER 24 Ca 0.05 0.45 -0.31 0.00 -1.33 0.00 0.00 58.87 57.73 3ab4 n SER 24 Cb 0.49 -1.30 -0.07 0.00 -0.75 0.00 0.00 64.21 62.58 3ab4 n SER 24 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3ab4 n ASP 25 N 9.69 2.56 -3.84 -3.46 2.03 -1.26 -4.73 116.55 117.55 3ab4 n ASP 25 Ca 0.38 -2.65 -0.12 0.00 0.52 0.00 0.00 54.79 52.92 3ab4 n ASP 25 Cb 0.26 -1.51 -0.10 0.00 -0.72 0.00 0.00 41.12 39.04 3ab4 n ASP 25 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3ab4 s LYS 26 N 6.47 0.47 0.01 -0.67 3.01 -1.26 -4.88 119.74 122.89 3ab4 s LYS 26 Ca 0.68 -0.22 -0.38 0.00 -1.01 0.00 0.00 55.97 55.04 3ab4 s LYS 26 Cb 0.03 0.20 -0.17 0.00 -1.01 0.00 0.00 37.83 36.89 3ab4 s LYS 26 CO 0.16 -0.11 1.41 -2.30 0.51 0.00 0.00 175.35 175.02 3ab4 n PRO 27 N 1.71 1.11 -0.79 -1.68 -0.02 -1.26 -2.55 135.00 131.52 3ab4 n PRO 27 Ca -0.21 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 3ab4 n PRO 27 Cb 0.56 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 3ab4 n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ab4 n GLY 28 N 2.82 0.58 0.13 -1.23 0.00 -1.26 -4.93 105.19 101.30 3ab4 n GLY 28 Ca 0.20 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 3ab4 n GLY 28 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ab4 n GLU 29 N -2.79 0.72 -0.34 1.61 4.07 -1.06 -3.83 120.64 119.03 3ab4 n GLU 29 Ca 0.00 0.29 0.06 0.00 -0.06 0.00 0.00 57.16 57.45 3ab4 n GLU 29 Cb 0.00 -1.69 0.23 0.00 -0.06 0.00 0.00 31.44 29.92 3ab4 n GLU 29 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3ab4 h ALA 30 N -0.04 1.41 -0.44 4.31 0.00 -1.87 -2.59 119.26 120.04 3ab4 h ALA 30 Ca -0.44 0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.60 3ab4 h ALA 30 Cb 1.92 -0.16 -0.10 0.00 0.00 0.00 0.00 17.79 19.45 3ab4 h ALA 30 CO 0.02 0.14 -0.25 0.00 0.00 0.00 0.00 179.25 179.15 3ab4 h ALA 31 N 1.53 0.03 -0.94 0.00 0.00 -1.96 -1.10 119.26 116.81 3ab4 h ALA 31 Ca 0.47 0.14 0.25 0.00 0.00 0.00 0.00 54.91 55.78 3ab4 h ALA 31 Cb 0.51 0.59 -0.17 0.00 0.00 0.00 0.00 17.79 18.71 3ab4 h ALA 31 CO -0.28 -0.61 0.04 1.57 0.00 0.00 0.00 179.25 179.97 3ab4 h LYS 32 N -0.16 0.04 0.68 0.00 2.10 -1.56 0.97 116.57 118.64 3ab4 h LYS 32 Ca 0.21 -0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.82 3ab4 h LYS 32 Cb 0.49 -0.01 0.01 0.00 -0.90 0.00 0.00 32.23 31.81 3ab4 h LYS 32 CO -0.54 0.03 -0.32 0.28 -2.00 0.00 0.00 179.45 176.89 3ab4 h VAL 33 N 0.04 0.29 0.00 0.07 2.07 -1.26 -2.84 116.25 114.63 3ab4 h VAL 33 Ca 0.56 -0.12 -0.10 0.00 0.82 0.00 0.00 66.70 67.86 3ab4 h VAL 33 Cb 1.13 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3ab4 h VAL 33 CO -0.86 0.01 -0.49 -0.26 0.02 0.00 0.00 177.57 176.00 3ab4 h PHE 34 N -1.00 0.00 -0.23 1.57 0.04 -1.20 -2.89 116.94 113.23 3ab4 h PHE 34 Ca -0.09 0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.74 3ab4 h PHE 34 Cb 0.72 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.80 3ab4 h PHE 34 CO -0.01 0.49 -0.25 -0.09 -0.60 0.00 0.00 178.31 177.85 3ab4 h ARG 35 N 0.00 -0.25 -0.82 1.51 1.12 0.91 0.32 114.38 117.17 3ab4 h ARG 35 Ca -0.00 0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.87 3ab4 h ARG 35 Cb 1.33 0.06 -0.04 0.00 -0.01 0.00 0.00 29.97 31.31 3ab4 h ARG 35 CO 0.06 -0.17 0.47 0.00 -3.11 0.00 0.00 179.97 177.23 3ab4 h ALA 36 N 0.76 1.28 -0.21 2.80 0.00 -1.32 -1.91 119.26 120.66 3ab4 h ALA 36 Ca 0.13 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3ab4 h ALA 36 Cb 0.47 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3ab4 h ALA 36 CO -0.39 0.60 -0.30 -0.07 0.00 0.00 0.00 179.25 179.09 3ab4 h LEU 37 N 1.14 0.63 0.03 0.00 3.38 -1.26 -3.07 115.31 116.16 3ab4 h LEU 37 Ca 0.29 -0.51 0.03 0.00 0.09 0.00 0.00 57.88 57.78 3ab4 h LEU 37 Cb -0.01 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 3ab4 h LEU 37 CO -0.05 1.02 -0.35 0.00 0.09 0.00 0.00 178.44 179.15 3ab4 h ALA 38 N 0.63 -0.55 -0.51 1.53 0.00 -0.10 -1.96 119.26 118.30 3ab4 h ALA 38 Ca 0.02 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.05 3ab4 h ALA 38 Cb 0.88 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 3ab4 h ALA 38 CO 0.07 -0.88 0.39 -0.44 0.00 0.00 0.00 179.25 178.39 3ab4 h ASP 39 N -0.52 0.00 -0.02 0.00 3.32 -1.41 0.35 116.42 118.14 3ab4 h ASP 39 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3ab4 h ASP 39 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 3ab4 h ASP 39 CO -0.26 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.26 3ab4 n ALA 40 N -2.58 2.55 -2.73 3.45 0.00 -0.77 -4.89 120.51 115.53 3ab4 n ALA 40 Ca 0.09 -0.09 -0.20 0.00 0.00 0.00 0.00 53.44 53.25 3ab4 n ALA 40 Cb 0.61 -1.14 0.01 0.00 0.00 0.00 0.00 19.45 18.92 3ab4 n ALA 40 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3ab4 n GLU 41 N -0.58 -3.04 -3.40 0.00 0.00 0.12 -4.94 120.64 108.80 3ab4 n GLU 41 Ca 0.07 0.82 -0.44 0.00 0.00 0.00 0.00 57.16 57.61 3ab4 n GLU 41 Cb 0.05 -5.54 -0.08 0.00 0.00 0.00 0.00 31.44 25.87 3ab4 n GLU 41 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3ab4 s ILE 42 N -2.98 5.21 0.15 6.31 -1.09 -1.00 -5.06 121.20 122.75 3ab4 s ILE 42 Ca 0.15 -0.84 -0.30 0.00 -2.23 0.00 0.00 60.65 57.43 3ab4 s ILE 42 Cb -0.07 -4.06 -0.07 0.00 -1.58 0.00 0.00 42.46 36.68 3ab4 s ILE 42 CO 0.18 -0.49 1.05 0.21 -1.23 0.00 0.00 174.94 174.67 3ab4 s ASN 43 N 2.22 7.35 0.08 3.58 3.84 -1.26 -4.49 114.94 126.27 3ab4 s ASN 43 Ca 0.06 1.98 0.04 0.00 0.21 0.00 0.00 52.86 55.15 3ab4 s ASN 43 Cb -0.22 -2.60 -0.04 0.00 -0.55 0.00 0.00 41.25 37.85 3ab4 s ASN 43 CO 0.09 -0.17 0.03 -0.63 -2.79 0.00 0.00 177.10 173.63 3ab4 s ILE 44 N -0.12 4.24 0.00 -5.21 1.09 -1.26 -4.37 121.20 115.57 3ab4 s ILE 44 Ca 0.49 -0.89 0.00 0.00 -1.10 0.00 0.00 60.65 59.15 3ab4 s ILE 44 Cb -0.27 -3.03 0.00 0.00 -1.06 0.00 0.00 42.46 38.10 3ab4 s ILE 44 CO 0.33 0.12 0.00 -0.67 -0.10 0.00 0.00 174.94 174.62 3ab4 n ASP 45 N 0.53 0.00 -4.81 3.58 2.03 -0.91 -5.03 116.55 111.95 3ab4 n ASP 45 Ca -0.10 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.88 3ab4 n ASP 45 Cb 0.52 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.89 3ab4 n ASP 45 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 3ab4 s MET 46 N 0.48 3.70 -0.10 -0.67 -1.94 -1.25 -4.85 119.30 114.67 3ab4 s MET 46 Ca 0.00 1.22 -0.06 0.00 -1.71 0.00 0.00 55.69 55.14 3ab4 s MET 46 Cb 0.00 -2.09 0.04 0.00 2.01 0.00 0.00 34.83 34.79 3ab4 s MET 46 CO 0.00 -0.50 0.23 0.08 -0.01 0.00 0.00 175.02 174.82 3ab4 s VAL 47 N -2.26 -0.03 0.10 -6.03 1.01 -1.26 -1.65 120.40 110.29 3ab4 s VAL 47 Ca 0.64 0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.76 3ab4 s VAL 47 Cb -0.14 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 3ab4 s VAL 47 CO 0.27 0.04 -0.10 -0.76 0.00 0.00 0.00 175.10 174.55 3ab4 s LEU 48 N 0.89 2.42 0.06 3.92 1.02 0.30 -4.99 118.68 122.31 3ab4 s LEU 48 Ca -0.06 -0.84 0.08 0.00 0.02 0.00 0.00 54.13 53.33 3ab4 s LEU 48 Cb -0.08 -0.32 -0.03 0.00 0.02 0.00 0.00 46.19 45.79 3ab4 s LEU 48 CO -0.06 -0.27 -0.23 -1.58 0.02 0.00 0.00 176.35 174.24 3ab4 s GLN 49 N -2.94 1.42 -0.27 1.70 0.74 -1.26 -1.17 119.66 117.87 3ab4 s GLN 49 Ca 0.07 -1.07 -0.27 0.00 0.05 0.00 0.00 55.36 54.15 3ab4 s GLN 49 Cb -0.02 -1.62 -0.11 0.00 1.10 0.00 0.00 33.01 32.35 3ab4 s GLN 49 CO 0.00 0.41 0.90 0.09 -0.55 0.00 0.00 175.29 176.14 3ab4 n ASN 50 N 1.58 0.66 0.27 6.67 3.02 -0.98 -4.81 115.26 121.67 3ab4 n ASN 50 Ca -0.18 0.68 0.13 0.00 -0.03 0.00 0.00 54.58 55.19 3ab4 n ASN 50 Cb 0.53 -0.51 0.74 0.00 -0.61 0.00 0.00 39.78 39.93 3ab4 n ASN 50 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 3ab4 h VAL 51 N 2.81 0.53 -1.07 2.41 -1.51 -1.98 -3.40 116.25 114.04 3ab4 h VAL 51 Ca -0.25 -0.52 -0.05 0.00 -1.23 0.00 0.00 66.70 64.65 3ab4 h VAL 51 Cb 0.79 1.34 -0.21 0.00 -2.13 0.00 0.00 31.29 31.08 3ab4 h VAL 51 CO 0.55 0.11 -0.44 0.12 -1.23 0.00 0.00 177.57 176.68 3ab4 s PHE 52 N -4.17 -1.69 0.00 5.19 5.36 -1.26 -5.26 117.98 116.14 3ab4 s PHE 52 Ca -0.03 0.53 0.00 0.00 -0.96 0.00 0.00 56.93 56.47 3ab4 s PHE 52 Cb 0.13 0.27 0.00 0.00 -0.34 0.00 0.00 43.02 43.08 3ab4 s PHE 52 CO 0.58 -1.13 0.00 0.43 -1.46 0.00 0.00 175.22 173.64 3ab4 n SER 53 N 4.84 0.00 0.00 6.13 7.64 -1.26 -5.11 113.62 125.85 3ab4 n SER 53 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 3ab4 n SER 53 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 3ab4 n SER 53 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3ab4 n THR 58 N -0.66 0.00 -3.56 0.44 -2.24 -1.26 -5.14 114.28 101.86 3ab4 n THR 58 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 3ab4 n THR 58 Cb 0.00 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3ab4 n THR 58 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 3ab4 n THR 59 N 0.00 0.00 -4.22 4.28 5.66 0.48 -4.69 114.28 115.79 3ab4 n THR 59 Ca 0.00 -0.47 -0.16 0.00 -3.05 0.00 0.00 64.05 60.37 3ab4 n THR 59 Cb 0.00 0.33 -0.11 0.00 -1.55 0.00 0.00 70.33 69.00 3ab4 n THR 59 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3ab4 s ASP 60 N -1.67 1.79 0.02 1.09 1.01 -1.26 0.36 116.67 118.02 3ab4 s ASP 60 Ca 0.08 -0.85 0.02 0.00 0.71 0.00 0.00 52.55 52.50 3ab4 s ASP 60 Cb -0.01 -0.03 -0.01 0.00 1.01 0.00 0.00 42.92 43.87 3ab4 s ASP 60 CO 0.06 -0.22 -0.07 -0.63 0.21 0.00 0.00 175.17 174.51 3ab4 s ILE 61 N -2.49 0.56 0.01 0.77 1.01 -0.88 -2.32 121.20 117.86 3ab4 s ILE 61 Ca 0.10 -0.65 0.08 0.00 0.00 0.00 0.00 60.65 60.18 3ab4 s ILE 61 Cb -0.03 -0.54 -0.02 0.00 0.01 0.00 0.00 42.46 41.88 3ab4 s ILE 61 CO 0.02 -0.08 -0.25 -0.89 0.00 0.00 0.00 174.94 173.74 3ab4 s THR 62 N -0.69 1.97 0.11 2.92 2.01 -0.32 -0.04 115.64 121.60 3ab4 s THR 62 Ca -0.03 -1.18 0.02 0.00 0.31 0.00 0.00 61.69 60.81 3ab4 s THR 62 Cb -0.06 -1.66 -0.04 0.00 0.01 0.00 0.00 72.50 70.75 3ab4 s THR 62 CO 0.00 0.44 -0.08 0.72 -0.69 0.00 0.00 174.62 175.02 3ab4 s PHE 63 N -0.68 0.98 0.17 4.92 -0.12 0.30 -0.54 117.98 123.00 3ab4 s PHE 63 Ca 0.10 -0.85 0.09 0.00 -0.05 0.00 0.00 56.93 56.22 3ab4 s PHE 63 Cb -0.10 -0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 41.71 3ab4 s PHE 63 CO 0.00 -0.08 -0.12 0.95 -0.05 0.00 0.00 175.22 175.92 3ab4 s THR 64 N -3.39 3.07 0.32 -4.49 -4.23 -0.66 -1.39 115.64 104.87 3ab4 s THR 64 Ca 0.12 -1.64 -0.13 0.00 -1.18 0.00 0.00 61.69 58.86 3ab4 s THR 64 Cb 0.04 -2.49 0.02 0.00 1.34 0.00 0.00 72.50 71.40 3ab4 s THR 64 CO -0.03 -0.06 0.61 0.00 -0.54 0.00 0.00 174.62 174.60 3ab4 n PRO 66 N -0.48 2.41 -0.23 0.00 -0.02 -1.26 -1.07 135.00 134.35 3ab4 n PRO 66 Ca -0.03 0.86 0.03 0.00 -2.02 0.00 0.00 63.50 62.34 3ab4 n PRO 66 Cb 0.61 -2.62 0.14 0.00 -0.02 0.00 0.00 33.50 31.61 3ab4 n PRO 66 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ab4 h ARG 67 N 5.34 0.19 -1.10 -0.52 3.08 -1.48 -0.50 114.38 119.39 3ab4 h ARG 67 Ca -0.45 -0.01 0.30 0.00 0.07 0.00 0.00 59.98 59.89 3ab4 h ARG 67 Cb 1.24 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 31.17 3ab4 h ARG 67 CO 0.84 0.12 0.74 0.66 -1.07 0.00 0.00 179.97 181.26 3ab4 h SER 68 N 0.19 0.27 -0.66 7.04 4.64 -1.90 0.36 113.55 123.50 3ab4 h SER 68 Ca 0.37 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 3ab4 h SER 68 Cb 0.63 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3ab4 h SER 68 CO -0.53 0.04 0.00 0.47 -0.87 0.00 0.00 176.83 175.94 3ab4 n ASP 69 N -4.47 4.03 -0.02 4.97 8.00 -0.28 -4.72 116.55 124.07 3ab4 n ASP 69 Ca 0.26 -2.13 -0.16 0.00 0.71 0.00 0.00 54.79 53.46 3ab4 n ASP 69 Cb 1.03 -0.48 -0.10 0.00 -0.02 0.00 0.00 41.12 41.55 3ab4 n ASP 69 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3ab4 h GLY 70 N 3.90 0.39 0.90 0.44 0.00 0.57 -2.67 103.07 106.60 3ab4 h GLY 70 Ca 0.00 -0.62 -0.07 0.00 0.00 0.00 0.00 47.33 46.64 3ab4 h GLY 70 CO 0.06 0.55 -0.08 -0.09 0.00 0.00 0.00 176.54 176.98 3ab4 h ARG 71 N -0.18 0.60 -0.72 4.80 9.65 -1.85 -2.61 114.38 124.08 3ab4 h ARG 71 Ca -0.05 -0.23 0.05 0.00 -1.10 0.00 0.00 59.98 58.65 3ab4 h ARG 71 Cb 1.13 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.63 3ab4 h ARG 71 CO 0.09 0.79 0.47 -0.09 2.80 0.00 0.00 179.97 184.03 3ab4 h ARG 72 N 0.37 0.79 0.02 0.20 2.43 -1.88 0.61 114.38 116.92 3ab4 h ARG 72 Ca 0.08 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3ab4 h ARG 72 Cb 0.57 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3ab4 h ARG 72 CO 0.03 0.52 -0.01 0.00 -1.51 0.00 0.00 179.97 179.00 3ab4 h ALA 73 N 1.60 -0.03 -0.55 2.80 0.00 -1.28 -1.74 119.26 120.07 3ab4 h ALA 73 Ca 0.30 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.15 3ab4 h ALA 73 Cb 0.15 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3ab4 h ALA 73 CO -0.09 -0.43 0.31 1.98 0.00 0.00 0.00 179.25 181.02 3ab4 h MET 74 N -0.20 0.59 -0.58 0.00 1.85 -1.06 -2.81 114.93 112.72 3ab4 h MET 74 Ca -0.00 -0.04 0.02 0.00 -0.61 0.00 0.00 59.70 59.07 3ab4 h MET 74 Cb 0.19 -0.13 -0.03 0.00 0.43 0.00 0.00 31.60 32.05 3ab4 h MET 74 CO 0.00 0.39 0.37 1.49 -0.40 0.00 0.00 176.91 178.76 3ab4 h GLU 75 N 0.61 0.72 -0.47 0.39 4.57 -0.72 -2.06 114.58 117.61 3ab4 h GLU 75 Ca 0.23 -0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.39 3ab4 h GLU 75 Cb 0.08 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.47 3ab4 h GLU 75 CO -0.13 0.47 0.27 0.82 -1.18 0.00 0.00 179.01 179.27 3ab4 h ILE 76 N 0.74 1.02 -0.04 2.32 5.03 -1.13 -3.13 117.51 122.31 3ab4 h ILE 76 Ca 0.22 -0.18 -0.13 0.00 -0.12 0.00 0.00 64.86 64.65 3ab4 h ILE 76 Cb -0.03 0.44 -0.01 0.00 -3.03 0.00 0.00 36.82 34.19 3ab4 h ILE 76 CO -0.08 0.10 -0.59 -0.07 -0.68 0.00 0.00 178.15 176.83 3ab4 h LEU 77 N 0.53 0.14 -1.69 1.44 4.07 -1.22 -2.88 115.31 115.70 3ab4 h LEU 77 Ca 0.20 -0.08 -0.03 0.00 0.08 0.00 0.00 57.88 58.05 3ab4 h LEU 77 Cb 0.05 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 41.75 3ab4 h LEU 77 CO -0.11 0.70 -0.14 0.11 -1.08 0.00 0.00 178.44 177.92 3ab4 h LYS 78 N 0.09 0.00 -0.10 1.13 6.56 -1.33 -2.72 116.57 120.20 3ab4 h LYS 78 Ca -0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.55 3ab4 h LYS 78 Cb 1.06 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.72 3ab4 h LYS 78 CO 0.08 0.14 -0.06 -0.22 -2.06 0.00 0.00 179.45 177.34 3ab4 h LYS 79 N 0.00 0.22 -0.90 3.15 1.63 -1.48 -2.29 116.57 116.91 3ab4 h LYS 79 Ca -0.00 -0.10 -0.20 0.00 -0.85 0.00 0.00 60.65 59.50 3ab4 h LYS 79 Cb 0.46 -0.00 -0.12 0.00 -0.60 0.00 0.00 32.23 31.96 3ab4 h LYS 79 CO 0.02 0.59 0.25 1.47 -3.45 0.00 0.00 179.45 178.33 3ab4 n LEU 80 N -4.71 4.82 -0.13 5.20 -0.00 -1.20 -1.79 117.00 119.20 3ab4 n LEU 80 Ca -0.07 -2.51 -0.24 0.00 -0.00 0.00 0.00 56.01 53.20 3ab4 n LEU 80 Cb 0.28 -0.68 -0.10 0.00 -0.00 0.00 0.00 43.42 42.93 3ab4 n LEU 80 CO 0.37 0.71 -1.35 0.00 -0.00 0.00 0.00 177.39 177.11 3ab4 n GLN 81 N -0.17 0.56 0.22 1.47 10.64 -1.03 -4.21 117.38 124.86 3ab4 n GLN 81 Ca 0.30 0.20 0.06 0.00 -1.83 0.00 0.00 57.00 55.73 3ab4 n GLN 81 Cb 1.09 -1.43 0.51 0.00 -0.86 0.00 0.00 30.24 29.55 3ab4 n GLN 81 CO 0.00 0.00 0.00 -0.39 -1.83 0.00 0.00 177.06 174.84 3ab4 h VAL 82 N -0.61 1.05 0.00 -0.39 -1.51 -1.34 -3.41 116.25 110.04 3ab4 h VAL 82 Ca -0.61 -0.75 -0.03 0.00 -1.23 0.00 0.00 66.70 64.08 3ab4 h VAL 82 Cb 1.66 1.41 -0.06 0.00 -2.13 0.00 0.00 31.29 32.17 3ab4 h VAL 82 CO -0.29 0.21 -0.41 0.00 -1.23 0.00 0.00 177.57 175.85 3ab4 n GLN 83 N -4.15 0.87 0.00 5.19 10.64 -0.74 -5.11 117.38 124.08 3ab4 n GLN 83 Ca -0.02 -2.32 0.00 0.00 -1.83 0.00 0.00 57.00 52.82 3ab4 n GLN 83 Cb 0.28 -1.06 0.00 0.00 -0.86 0.00 0.00 30.24 28.59 3ab4 n GLN 83 CO 0.00 0.00 0.00 -2.67 -1.83 0.00 0.00 177.06 172.56 3ab4 n TRP 86 N -0.72 0.00 -0.05 2.61 2.14 -1.26 -4.90 117.44 115.26 3ab4 n TRP 86 Ca 0.12 0.00 -0.20 0.00 2.07 0.00 0.00 57.50 59.49 3ab4 n TRP 86 Cb 0.75 0.00 -0.13 0.00 -0.81 0.00 0.00 31.31 31.12 3ab4 n TRP 86 CO 0.00 0.00 0.00 1.79 2.07 0.00 0.00 177.69 181.55 3ab4 h THR 87 N 0.00 1.19 -3.96 -1.67 1.35 -1.54 -3.42 112.91 104.85 3ab4 h THR 87 Ca 0.00 -2.31 -0.17 0.00 -0.55 0.00 0.00 66.41 63.38 3ab4 h THR 87 Cb 0.00 2.71 -0.21 0.00 -1.73 0.00 0.00 68.15 68.92 3ab4 h THR 87 CO 0.00 0.54 -0.70 0.21 -0.25 0.00 0.00 175.52 175.32 3ab4 s ASN 88 N -6.76 0.23 -0.09 5.36 3.04 -0.95 -5.01 114.94 110.75 3ab4 s ASN 88 Ca -0.23 -0.48 0.01 0.00 0.04 0.00 0.00 52.86 52.21 3ab4 s ASN 88 Cb 0.03 0.10 0.02 0.00 -1.54 0.00 0.00 41.25 39.86 3ab4 s ASN 88 CO 0.68 -0.29 -0.10 0.68 -3.04 0.00 0.00 177.10 175.03 3ab4 s VAL 89 N -1.41 1.09 0.29 -5.21 -7.23 -1.26 -0.12 120.40 106.56 3ab4 s VAL 89 Ca -0.15 -0.39 0.09 0.00 -1.81 0.00 0.00 61.98 59.71 3ab4 s VAL 89 Cb -0.10 -1.05 -0.04 0.00 0.56 0.00 0.00 36.38 35.75 3ab4 s VAL 89 CO -0.01 0.36 0.08 -0.76 -0.31 0.00 0.00 175.10 174.46 3ab4 s LEU 90 N 1.17 3.29 0.01 1.32 1.43 -0.26 -4.96 118.68 120.68 3ab4 s LEU 90 Ca -0.05 -0.65 -0.05 0.00 -1.03 0.00 0.00 54.13 52.35 3ab4 s LEU 90 Cb -0.14 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 3ab4 s LEU 90 CO -0.02 -0.12 0.08 -0.47 0.23 0.00 0.00 176.35 176.05 3ab4 s TYR 91 N -2.34 0.11 -0.30 0.29 5.04 -1.26 -1.95 117.35 116.94 3ab4 s TYR 91 Ca 0.34 -0.26 -0.09 0.00 -2.44 0.00 0.00 57.07 54.62 3ab4 s TYR 91 Cb -0.05 -0.09 0.17 0.00 0.35 0.00 0.00 41.96 42.33 3ab4 s TYR 91 CO 0.22 -0.25 0.81 0.34 -1.34 0.00 0.00 175.55 175.32 3ab4 s ASP 92 N -1.40 -0.93 -0.04 4.32 2.15 -0.52 -5.01 116.67 115.24 3ab4 s ASP 92 Ca -0.15 0.89 0.11 0.00 0.43 0.00 0.00 52.55 53.82 3ab4 s ASP 92 Cb -0.08 1.90 0.31 0.00 -0.30 0.00 0.00 42.92 44.75 3ab4 s ASP 92 CO 0.01 -0.18 1.25 -0.90 -0.17 0.00 0.00 175.17 175.18 3ab4 n ASP 93 N 5.33 2.98 -2.17 -0.34 5.68 -1.26 0.24 116.55 127.01 3ab4 n ASP 93 Ca -0.07 -2.23 -0.29 0.00 -0.50 0.00 0.00 54.79 51.70 3ab4 n ASP 93 Cb 0.52 -0.27 0.05 0.00 -1.14 0.00 0.00 41.12 40.27 3ab4 n ASP 93 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 3ab4 n GLN 94 N 0.13 3.19 -3.81 0.11 7.27 -1.26 -4.79 117.38 118.21 3ab4 n GLN 94 Ca 0.12 -3.76 -0.37 0.00 0.07 0.00 0.00 57.00 53.06 3ab4 n GLN 94 Cb 0.50 -2.28 -0.06 0.00 2.41 0.00 0.00 30.24 30.80 3ab4 n GLN 94 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 3ab4 s VAL 95 N -4.71 5.45 -0.01 1.69 1.01 -1.26 -0.99 120.40 121.58 3ab4 s VAL 95 Ca 0.57 0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.84 3ab4 s VAL 95 Cb 0.46 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 3ab4 s VAL 95 CO 0.02 0.57 -0.08 -0.83 0.00 0.00 0.00 175.10 174.78 3ab4 s GLY 96 N -0.69 1.72 -0.23 4.51 0.00 0.86 -4.56 107.32 108.92 3ab4 s GLY 96 Ca 0.14 -1.00 -0.05 0.00 0.00 0.00 0.00 44.72 43.81 3ab4 s GLY 96 CO 0.03 -0.84 0.01 1.25 0.00 0.00 0.00 173.10 173.55 3ab4 s LYS 97 N -1.26 3.50 0.05 2.90 2.20 -0.15 -0.66 119.74 126.33 3ab4 s LYS 97 Ca 0.16 -0.56 0.07 0.00 -0.36 0.00 0.00 55.97 55.28 3ab4 s LYS 97 Cb -0.11 -3.16 -0.03 0.00 -1.51 0.00 0.00 37.83 33.02 3ab4 s LYS 97 CO 0.06 -0.20 -0.16 0.54 -0.36 0.00 0.00 175.35 175.23 3ab4 s VAL 98 N 1.54 2.95 0.02 4.02 0.11 -0.76 -0.28 120.40 128.00 3ab4 s VAL 98 Ca 0.06 -1.16 0.00 0.00 -2.93 0.00 0.00 61.98 57.95 3ab4 s VAL 98 Cb -0.15 -2.27 -0.02 0.00 -1.53 0.00 0.00 36.38 32.42 3ab4 s VAL 98 CO -0.00 0.31 -0.03 -0.44 -3.33 0.00 0.00 175.10 171.61 3ab4 s SER 99 N -1.55 0.30 -0.23 3.54 0.01 -0.74 -0.63 113.70 114.40 3ab4 s SER 99 Ca 0.16 -0.40 -0.02 0.00 1.31 0.00 0.00 55.95 57.00 3ab4 s SER 99 Cb -0.11 0.06 0.01 0.00 0.21 0.00 0.00 66.02 66.20 3ab4 s SER 99 CO 0.07 -0.22 -0.06 -0.22 0.41 0.00 0.00 173.24 173.22 3ab4 s LEU 100 N -1.15 3.01 0.05 2.44 0.20 0.34 -2.16 118.68 121.41 3ab4 s LEU 100 Ca -0.11 -0.69 0.04 0.00 0.69 0.00 0.00 54.13 54.06 3ab4 s LEU 100 Cb -0.08 -1.68 -0.04 0.00 -0.43 0.00 0.00 46.19 43.97 3ab4 s LEU 100 CO -0.01 -0.08 -0.02 0.54 -0.29 0.00 0.00 176.35 176.50 3ab4 s VAL 101 N 1.38 3.96 0.00 1.68 0.11 -1.26 -0.38 120.40 125.89 3ab4 s VAL 101 Ca 0.03 -0.87 0.00 0.00 -2.93 0.00 0.00 61.98 58.21 3ab4 s VAL 101 Cb -0.15 -2.83 0.00 0.00 -1.53 0.00 0.00 36.38 31.87 3ab4 s VAL 101 CO -0.05 0.23 0.00 0.61 -3.33 0.00 0.00 175.10 172.56 3ab4 n GLY 102 N 0.95 -0.81 5.11 6.54 0.00 -1.01 -4.72 105.19 111.25 3ab4 n GLY 102 Ca -0.13 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3ab4 n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ab4 n GLY 110 N 0.00 -0.15 0.36 -0.02 0.00 -1.26 -4.50 105.19 99.63 3ab4 n GLY 110 Ca 0.00 0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 3ab4 n GLY 110 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ab4 h VAL 111 N 0.00 0.23 -0.61 1.61 2.07 -2.05 0.21 116.25 117.72 3ab4 h VAL 111 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 3ab4 h VAL 111 Cb 0.00 0.23 -0.06 0.00 -1.52 0.00 0.00 31.29 29.95 3ab4 h VAL 111 CO 0.00 0.00 0.30 0.74 0.02 0.00 0.00 177.57 178.63 3ab4 h THR 112 N -0.46 0.91 0.16 2.57 2.02 -2.00 -1.46 112.91 114.65 3ab4 h THR 112 Ca 0.08 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 67.07 3ab4 h THR 112 Cb 0.59 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 3ab4 h THR 112 CO -0.34 0.10 -0.19 0.00 0.37 0.00 0.00 175.52 175.47 3ab4 h ALA 113 N 1.35 -0.36 -0.85 6.16 0.00 -1.73 -1.76 119.26 122.06 3ab4 h ALA 113 Ca 0.28 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3ab4 h ALA 113 Cb 0.23 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3ab4 h ALA 113 CO -0.21 -0.73 0.51 0.93 0.00 0.00 0.00 179.25 179.75 3ab4 h GLU 114 N -0.39 1.16 -0.33 0.00 5.08 -0.83 0.35 114.58 119.61 3ab4 h GLU 114 Ca 0.01 -0.11 0.06 0.00 -1.00 0.00 0.00 59.36 58.32 3ab4 h GLU 114 Cb 0.38 -0.24 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 3ab4 h GLU 114 CO -0.06 0.81 0.01 0.35 -1.00 0.00 0.00 179.01 179.12 3ab4 h PHE 115 N 1.17 0.00 0.13 4.33 3.57 -1.10 0.30 116.94 125.34 3ab4 h PHE 115 Ca 0.31 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.82 3ab4 h PHE 115 Cb -0.04 0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.74 3ab4 h PHE 115 CO -0.00 -0.05 -0.07 0.52 -2.23 0.00 0.00 178.31 176.48 3ab4 h MET 116 N 0.11 -0.18 -0.02 1.11 2.86 -0.39 -3.12 114.93 115.30 3ab4 h MET 116 Ca 0.16 0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.76 3ab4 h MET 116 Cb 0.21 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 3ab4 h MET 116 CO -0.26 -0.12 -0.22 0.93 1.06 0.00 0.00 176.91 178.30 3ab4 h GLU 117 N -0.19 0.04 -0.40 1.72 5.08 0.29 -2.75 114.58 118.38 3ab4 h GLU 117 Ca -0.02 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.19 3ab4 h GLU 117 Cb 0.15 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3ab4 h GLU 117 CO 0.03 0.26 -0.31 0.00 -1.00 0.00 0.00 179.01 177.98 3ab4 h ALA 118 N 1.75 0.57 0.00 3.43 0.00 -0.38 -2.87 119.26 121.75 3ab4 h ALA 118 Ca 0.01 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3ab4 h ALA 118 Cb 0.41 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3ab4 h ALA 118 CO 0.03 0.62 -0.05 -0.07 0.00 0.00 0.00 179.25 179.78 3ab4 h LEU 119 N 0.73 0.00 0.00 0.00 4.07 -1.44 -3.18 115.31 115.49 3ab4 h LEU 119 Ca 0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.03 3ab4 h LEU 119 Cb 0.89 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.63 3ab4 h LEU 119 CO 0.08 0.05 -0.77 0.08 -1.08 0.00 0.00 178.44 176.80 3ab4 h ARG 120 N 0.00 0.00 -0.21 1.13 -0.00 -1.46 0.13 114.38 113.98 3ab4 h ARG 120 Ca -0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 59.98 59.81 3ab4 h ARG 120 Cb 0.86 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.83 3ab4 h ARG 120 CO 0.01 0.00 -0.57 -0.44 -0.00 0.00 0.00 179.97 178.97 3ab4 h ASP 121 N 0.00 0.73 -0.26 0.08 3.32 -1.48 -2.79 116.42 116.01 3ab4 h ASP 121 Ca 0.00 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 56.65 3ab4 h ASP 121 Cb 0.94 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.28 3ab4 h ASP 121 CO 0.00 1.14 0.00 1.33 -1.72 0.00 0.00 179.24 179.99 3ab4 n VAL 122 N -3.97 0.36 -3.68 -1.35 0.24 -1.24 -4.94 118.33 103.75 3ab4 n VAL 122 Ca -0.04 -0.35 -0.25 0.00 -2.04 0.00 0.00 64.34 61.66 3ab4 n VAL 122 Cb 0.62 0.16 0.06 0.00 -1.47 0.00 0.00 33.84 33.21 3ab4 n VAL 122 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3ab4 n ASN 123 N 0.27 -4.75 -4.62 -1.34 3.02 -1.06 -4.94 115.26 101.84 3ab4 n ASN 123 Ca 0.09 -0.65 -0.36 0.00 -0.03 0.00 0.00 54.58 53.63 3ab4 n ASN 123 Cb 0.23 -4.60 -0.10 0.00 -0.61 0.00 0.00 39.78 34.70 3ab4 n ASN 123 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ab4 s VAL 124 N -3.36 4.99 -0.15 2.41 1.01 0.46 -5.01 120.40 120.75 3ab4 s VAL 124 Ca 0.47 0.05 -0.25 0.00 0.00 0.00 0.00 61.98 62.24 3ab4 s VAL 124 Cb -0.22 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 3ab4 s VAL 124 CO 0.77 0.38 0.82 0.21 0.00 0.00 0.00 175.10 177.29 3ab4 s ASN 125 N 0.91 6.98 -0.12 3.32 2.47 -1.26 -4.36 114.94 122.89 3ab4 s ASN 125 Ca 0.06 1.20 -0.29 0.00 0.42 0.00 0.00 52.86 54.25 3ab4 s ASN 125 Cb -0.13 -2.45 -0.01 0.00 -1.45 0.00 0.00 41.25 37.20 3ab4 s ASN 125 CO 0.03 -0.35 1.00 -0.63 -3.72 0.00 0.00 177.10 173.43 3ab4 s ILE 126 N 1.90 4.78 -0.23 -5.21 1.09 -1.26 -4.59 121.20 117.67 3ab4 s ILE 126 Ca 0.39 2.03 -0.16 0.00 -1.10 0.00 0.00 60.65 61.81 3ab4 s ILE 126 Cb -0.17 -4.31 -0.11 0.00 -1.06 0.00 0.00 42.46 36.81 3ab4 s ILE 126 CO 0.14 -0.01 -0.23 -0.62 -0.10 0.00 0.00 174.94 174.13 3ab4 n GLU 127 N 5.10 0.56 -5.16 2.79 1.02 -0.22 -4.94 120.64 119.79 3ab4 n GLU 127 Ca 0.09 0.34 -0.30 0.00 -0.02 0.00 0.00 57.16 57.27 3ab4 n GLU 127 Cb 0.49 -1.55 -0.16 0.00 -0.02 0.00 0.00 31.44 30.20 3ab4 n GLU 127 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3ab4 s LEU 128 N -7.73 2.03 -0.04 -4.62 0.20 -1.10 -4.96 118.68 102.47 3ab4 s LEU 128 Ca -0.33 -0.46 0.07 0.00 0.69 0.00 0.00 54.13 54.10 3ab4 s LEU 128 Cb 0.10 -1.25 -0.02 0.00 -0.43 0.00 0.00 46.19 44.59 3ab4 s LEU 128 CO 0.47 0.24 -0.24 -0.63 -0.29 0.00 0.00 176.35 175.91 3ab4 s ILE 129 N -0.25 2.22 -0.23 6.68 1.01 -1.26 0.06 121.20 129.43 3ab4 s ILE 129 Ca 0.00 -1.03 -0.05 0.00 0.00 0.00 0.00 60.65 59.57 3ab4 s ILE 129 Cb -0.12 -1.80 0.12 0.00 0.01 0.00 0.00 42.46 40.68 3ab4 s ILE 129 CO 0.02 0.58 0.43 -0.55 0.00 0.00 0.00 174.94 175.41 3ab4 s SER 130 N -0.46 -0.18 0.10 3.58 0.15 -0.06 -5.00 113.70 111.83 3ab4 s SER 130 Ca 0.05 0.67 0.02 0.00 0.70 0.00 0.00 55.95 57.40 3ab4 s SER 130 Cb -0.11 1.36 -0.04 0.00 -1.71 0.00 0.00 66.02 65.52 3ab4 s SER 130 CO 0.01 -0.26 -0.08 0.42 1.20 0.00 0.00 173.24 174.53 3ab4 s THR 131 N 2.62 0.77 0.18 6.45 -4.23 -1.26 -1.62 115.64 118.54 3ab4 s THR 131 Ca 0.07 -1.80 0.02 0.00 -1.18 0.00 0.00 61.69 58.80 3ab4 s THR 131 Cb -0.14 -1.52 -0.01 0.00 1.34 0.00 0.00 72.50 72.17 3ab4 s THR 131 CO -0.15 -0.75 0.08 -1.54 -0.54 0.00 0.00 174.62 171.72 3ab4 n SER 132 N 0.21 0.79 0.00 3.99 3.41 -0.36 -5.02 113.62 116.65 3ab4 n SER 132 Ca -0.14 -1.97 0.11 0.00 -0.26 0.00 0.00 58.87 56.61 3ab4 n SER 132 Cb 0.60 0.52 0.54 0.00 -0.26 0.00 0.00 64.21 65.61 3ab4 n SER 132 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ab4 n GLU 133 N -0.39 0.20 0.00 4.33 1.02 -1.26 -3.25 120.64 121.29 3ab4 n GLU 133 Ca -0.01 0.09 0.03 0.00 -0.02 0.00 0.00 57.16 57.25 3ab4 n GLU 133 Cb 0.27 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.21 3ab4 n GLU 133 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3ab4 n ILE 134 N -1.37 0.00 -3.64 -3.67 -5.35 -1.26 -4.94 119.36 99.13 3ab4 n ILE 134 Ca 0.09 -0.46 -0.09 0.00 -0.27 0.00 0.00 62.75 62.02 3ab4 n ILE 134 Cb 0.22 1.11 -0.07 0.00 -1.74 0.00 0.00 39.64 39.16 3ab4 n ILE 134 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3ab4 s ARG 135 N -0.85 0.60 -0.39 6.28 3.52 -1.20 -2.41 118.95 124.49 3ab4 s ARG 135 Ca 0.07 0.80 -0.05 0.00 -0.13 0.00 0.00 55.73 56.42 3ab4 s ARG 135 Cb 0.06 0.24 0.08 0.00 -1.56 0.00 0.00 34.95 33.77 3ab4 s ARG 135 CO 0.13 -0.09 0.18 0.42 -0.81 0.00 0.00 175.30 175.14 3ab4 s ILE 136 N 0.66 3.61 -0.08 4.11 1.01 0.49 -1.23 121.20 129.78 3ab4 s ILE 136 Ca -0.02 -1.64 -0.05 0.00 0.00 0.00 0.00 60.65 58.94 3ab4 s ILE 136 Cb -0.05 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 3ab4 s ILE 136 CO -0.08 -0.49 0.13 -0.44 0.00 0.00 0.00 174.94 174.06 3ab4 s SER 137 N 1.82 6.22 0.04 3.58 0.01 -0.64 -0.50 113.70 124.23 3ab4 s SER 137 Ca 0.03 0.38 -0.06 0.00 1.31 0.00 0.00 55.95 57.61 3ab4 s SER 137 Cb -0.22 -1.96 -0.01 0.00 0.21 0.00 0.00 66.02 64.04 3ab4 s SER 137 CO -0.01 0.36 0.10 0.68 0.41 0.00 0.00 173.24 174.78 3ab4 s VAL 138 N -1.11 0.14 -0.10 3.43 -7.23 0.19 -0.88 120.40 114.84 3ab4 s VAL 138 Ca 0.19 -1.12 0.01 0.00 -1.81 0.00 0.00 61.98 59.24 3ab4 s VAL 138 Cb -0.12 -0.94 -0.02 0.00 0.56 0.00 0.00 36.38 35.85 3ab4 s VAL 138 CO 0.09 -0.62 -0.10 -0.76 -0.31 0.00 0.00 175.10 173.40 3ab4 s LEU 139 N -2.20 2.94 0.14 1.32 1.43 0.11 -1.83 118.68 120.59 3ab4 s LEU 139 Ca -0.04 -0.17 -0.02 0.00 -1.03 0.00 0.00 54.13 52.87 3ab4 s LEU 139 Cb -0.00 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 3ab4 s LEU 139 CO -0.05 0.27 0.10 -0.63 0.23 0.00 0.00 176.35 176.27 3ab4 s ILE 140 N -0.26 0.08 0.29 -0.59 1.09 0.17 -1.05 121.20 120.93 3ab4 s ILE 140 Ca 0.03 -1.85 -0.30 0.00 -1.10 0.00 0.00 60.65 57.43 3ab4 s ILE 140 Cb -0.13 -2.07 -0.11 0.00 -1.06 0.00 0.00 42.46 39.09 3ab4 s ILE 140 CO 0.03 -0.38 1.53 -0.13 -0.10 0.00 0.00 174.94 175.89 3ab4 s ARG 141 N -4.05 4.17 0.31 2.79 1.81 -1.26 -0.10 118.95 122.61 3ab4 s ARG 141 Ca 0.25 2.49 0.05 0.00 -1.72 0.00 0.00 55.73 56.80 3ab4 s ARG 141 Cb 0.07 -3.04 0.69 0.00 -0.45 0.00 0.00 34.95 32.22 3ab4 s ARG 141 CO 0.03 -0.55 1.81 1.49 -0.68 0.00 0.00 175.30 177.40 3ab4 h GLU 142 N 4.68 0.81 -0.70 3.54 4.81 -1.33 -1.20 114.58 125.18 3ab4 h GLU 142 Ca -0.47 -0.05 0.15 0.00 -0.13 0.00 0.00 59.36 58.86 3ab4 h GLU 142 Cb 1.22 -0.18 -0.11 0.00 0.63 0.00 0.00 28.75 30.31 3ab4 h GLU 142 CO 0.77 0.53 0.09 -0.44 -0.73 0.00 0.00 179.01 179.23 3ab4 h ASP 143 N 0.83 -0.15 -0.30 1.04 5.19 -1.90 -2.76 116.42 118.37 3ab4 h ASP 143 Ca 0.53 0.16 -0.09 0.00 -0.62 0.00 0.00 57.03 57.02 3ab4 h ASP 143 Cb 0.75 0.25 -0.05 0.00 0.18 0.00 0.00 39.33 40.46 3ab4 h ASP 143 CO -0.31 -0.09 0.11 0.47 -3.12 0.00 0.00 179.24 176.29 3ab4 n ASP 144 N -5.23 3.08 -0.01 6.45 9.92 -0.45 -4.39 116.55 125.91 3ab4 n ASP 144 Ca 0.13 -2.49 -0.17 0.00 -0.53 0.00 0.00 54.79 51.73 3ab4 n ASP 144 Cb 0.43 -0.60 -0.10 0.00 -0.64 0.00 0.00 41.12 40.21 3ab4 n ASP 144 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 3ab4 h LEU 145 N 1.35 0.56 -0.27 0.64 3.38 -1.57 -3.34 115.31 116.07 3ab4 h LEU 145 Ca 0.11 -0.71 -0.20 0.00 0.09 0.00 0.00 57.88 57.17 3ab4 h LEU 145 Cb 1.37 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3ab4 h LEU 145 CO 0.30 1.19 -0.67 0.44 0.09 0.00 0.00 178.44 179.79 3ab4 h ASP 146 N -0.01 0.88 -3.99 -0.43 5.19 -1.84 -3.20 116.42 113.02 3ab4 h ASP 146 Ca -0.06 -0.53 -0.46 0.00 -0.62 0.00 0.00 57.03 55.36 3ab4 h ASP 146 Cb 1.23 -0.26 0.15 0.00 0.18 0.00 0.00 39.33 40.63 3ab4 h ASP 146 CO 0.11 1.32 0.23 0.00 -3.12 0.00 0.00 179.24 177.77 3ab4 s ALA 147 N -3.90 1.27 0.00 3.45 0.00 -1.25 -1.98 121.76 119.34 3ab4 s ALA 147 Ca -0.10 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.58 3ab4 s ALA 147 Cb 0.10 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 20.09 3ab4 s ALA 147 CO 0.89 -2.59 0.00 0.00 0.00 0.00 0.00 175.76 174.06 3ab4 n ALA 148 N -4.02 0.00 -0.34 0.00 0.00 -1.26 -4.25 120.51 110.64 3ab4 n ALA 148 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.62 3ab4 n ALA 148 Cb 0.57 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.33 3ab4 n ALA 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ab4 h ALA 149 N 0.00 1.62 0.02 0.00 0.00 -1.66 0.65 119.26 119.88 3ab4 h ALA 149 Ca 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ab4 h ALA 149 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3ab4 h ALA 149 CO 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 179.25 179.18 3ab4 h ARG 150 N 0.74 -0.02 -0.98 0.00 -0.00 -1.57 -3.14 114.38 109.40 3ab4 h ARG 150 Ca 0.57 0.00 0.17 0.00 -0.50 0.00 0.00 59.98 60.22 3ab4 h ARG 150 Cb 0.88 0.01 -0.10 0.00 0.00 0.00 0.00 29.97 30.75 3ab4 h ARG 150 CO -0.39 0.33 0.59 0.00 0.00 0.00 0.00 179.97 180.50 3ab4 h ALA 151 N 0.59 1.58 0.00 0.04 0.00 -1.45 -2.50 119.26 117.53 3ab4 h ALA 151 Ca -0.00 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3ab4 h ALA 151 Cb 0.36 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3ab4 h ALA 151 CO 0.00 0.00 -0.19 -0.07 0.00 0.00 0.00 179.25 178.99 3ab4 h LEU 152 N 0.79 0.00 0.00 0.00 3.38 0.28 -3.49 115.31 116.27 3ab4 h LEU 152 Ca 0.55 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.52 3ab4 h LEU 152 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3ab4 h LEU 152 CO -0.36 0.19 0.00 1.41 0.09 0.00 0.00 178.44 179.78