#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3i n VAL 30 N 0.00 2.10 -0.06 0.00 0.24 -1.26 -4.77 118.33 114.58 3h3i n VAL 30 Ca 0.00 -3.53 -0.02 0.00 -2.04 0.00 0.00 64.34 58.76 3h3i n VAL 30 Cb 0.00 -0.42 -0.01 0.00 -1.47 0.00 0.00 33.84 31.94 3h3i n VAL 30 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3h3i n GLU 31 N -0.74 -0.06 -0.14 7.34 0.00 -1.26 -2.60 120.64 123.18 3h3i n GLU 31 Ca 0.29 0.52 0.00 0.00 0.00 0.00 0.00 57.16 57.97 3h3i n GLU 31 Cb 0.87 -0.78 0.00 0.00 0.00 0.00 0.00 31.44 31.53 3h3i n GLU 31 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 3h3i n LYS 32 N -3.12 0.31 -0.32 3.44 0.00 -1.26 -4.76 118.16 112.44 3h3i n LYS 32 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3h3i n LYS 32 Cb 0.04 -1.35 0.00 0.00 -0.00 0.00 0.00 35.03 33.72 3h3i n LYS 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3h3i n ALA 34 N 1.74 -1.00 0.00 0.58 0.00 -1.07 -5.02 120.51 115.73 3h3i n ALA 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3h3i n ALA 34 Cb 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.44 3h3i n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h3i n GLY 35 N -0.55 0.05 3.51 0.00 0.00 0.06 -4.94 105.19 103.33 3h3i n GLY 35 Ca 0.00 -1.04 -0.35 0.00 0.00 0.00 0.00 46.02 44.63 3h3i n GLY 35 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h3i s ASP 36 N 0.00 5.10 0.11 1.61 1.01 -1.26 -1.22 116.67 122.02 3h3i s ASP 36 Ca 0.00 -0.10 0.08 0.00 0.71 0.00 0.00 52.55 53.24 3h3i s ASP 36 Cb 0.00 -1.87 -0.04 0.00 1.01 0.00 0.00 42.92 42.02 3h3i s ASP 36 CO 0.00 0.11 -0.20 0.26 0.21 0.00 0.00 175.17 175.55 3h3i s TRP 37 N 0.75 1.77 -0.28 4.23 0.52 -1.26 -0.37 118.94 124.30 3h3i s TRP 37 Ca 0.01 -0.43 -0.06 0.00 0.02 0.00 0.00 56.10 55.64 3h3i s TRP 37 Cb -0.14 -0.95 0.01 0.00 -1.15 0.00 0.00 33.47 31.24 3h3i s TRP 37 CO 0.02 0.23 0.06 -1.58 0.02 0.00 0.00 176.95 175.69 3h3i s TRP 38 N -1.36 3.13 0.28 -1.98 0.52 -0.60 -4.24 118.94 114.69 3h3i s TRP 38 Ca 0.08 -1.02 0.06 0.00 0.02 0.00 0.00 56.10 55.24 3h3i s TRP 38 Cb -0.09 -2.22 -0.06 0.00 -1.15 0.00 0.00 33.47 29.95 3h3i s TRP 38 CO 0.05 -0.58 -0.03 0.14 0.02 0.00 0.00 176.95 176.54 3h3i s VAL 39 N 1.48 1.47 0.22 4.03 -7.23 0.39 -1.91 120.40 118.85 3h3i s VAL 39 Ca 0.03 -2.09 0.09 0.00 -1.81 0.00 0.00 61.98 58.20 3h3i s VAL 39 Cb -0.17 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.24 3h3i s VAL 39 CO 0.01 -0.26 -0.17 0.42 -0.31 0.00 0.00 175.10 174.79 3h3i s THR 40 N -3.12 2.00 -0.20 5.32 -4.23 -0.41 0.09 115.64 115.09 3h3i s THR 40 Ca 0.30 -2.20 0.01 0.00 -1.18 0.00 0.00 61.69 58.62 3h3i s THR 40 Cb 0.05 -2.08 0.03 0.00 1.34 0.00 0.00 72.50 71.84 3h3i s THR 40 CO 0.12 -0.46 -0.17 -0.69 -0.54 0.00 0.00 174.62 172.87 3h3i s VAL 41 N -2.59 2.04 0.33 2.29 1.01 -1.26 -2.20 120.40 120.01 3h3i s VAL 41 Ca 0.23 -1.08 0.07 0.00 0.00 0.00 0.00 61.98 61.20 3h3i s VAL 41 Cb -0.03 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 3h3i s VAL 41 CO 0.09 0.40 0.32 0.20 0.00 0.00 0.00 175.10 176.11 3h3i s ASN 42 N 1.26 5.47 0.03 3.32 0.01 -0.80 -3.32 114.94 120.90 3h3i s ASN 42 Ca 0.02 -0.40 0.02 0.00 -0.71 0.00 0.00 52.86 51.78 3h3i s ASN 42 Cb -0.15 -1.08 -0.02 0.00 0.41 0.00 0.00 41.25 40.42 3h3i s ASN 42 CO -0.11 -0.34 -0.07 0.00 -1.51 0.00 0.00 177.10 175.07 3h3i s ALA 43 N -2.26 0.49 -0.41 0.60 0.00 -0.77 -0.90 121.76 118.51 3h3i s ALA 43 Ca 0.41 -0.67 -0.20 0.00 0.00 0.00 0.00 51.96 51.50 3h3i s ALA 43 Cb -0.07 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.11 3h3i s ALA 43 CO 0.27 -0.02 0.60 -0.06 0.00 0.00 0.00 175.76 176.55 3h3i s PHE 44 N -1.22 3.10 -0.16 0.00 0.08 -0.79 0.53 117.98 119.53 3h3i s PHE 44 Ca -0.09 0.00 0.02 0.00 0.12 0.00 0.00 56.93 56.98 3h3i s PHE 44 Cb -0.09 -3.21 0.01 0.00 -0.57 0.00 0.00 43.02 39.16 3h3i s PHE 44 CO 0.00 -0.77 -0.21 0.42 -0.10 0.00 0.00 175.22 174.57 3h3i s ILE 45 N 2.67 2.10 -1.54 0.64 1.01 -0.13 -4.48 121.20 121.48 3h3i s ILE 45 Ca 0.21 -0.95 -0.12 0.00 0.00 0.00 0.00 60.65 59.79 3h3i s ILE 45 Cb -0.15 -1.86 0.09 0.00 0.01 0.00 0.00 42.46 40.55 3h3i s ILE 45 CO 0.17 0.54 0.87 0.47 0.00 0.00 0.00 174.94 176.99 3h3i n ASP 46 N 4.34 -3.75 -0.98 3.58 8.00 -1.26 -1.40 116.55 125.07 3h3i n ASP 46 Ca -0.20 -0.85 -0.12 0.00 0.71 0.00 0.00 54.79 54.33 3h3i n ASP 46 Cb 0.51 -3.61 -0.04 0.00 -0.02 0.00 0.00 41.12 37.96 3h3i n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h3i n GLY 47 N -1.64 1.00 3.00 0.44 0.00 -1.26 -5.02 105.19 101.70 3h3i n GLY 47 Ca -0.02 -0.47 -0.22 0.00 0.00 0.00 0.00 46.02 45.31 3h3i n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h3i s LYS 48 N -3.31 1.25 -0.26 1.61 0.00 -0.49 -5.10 119.74 113.43 3h3i s LYS 48 Ca 0.00 -0.32 -0.29 0.00 0.00 0.00 0.00 55.97 55.36 3h3i s LYS 48 Cb 0.00 -1.11 -0.01 0.00 0.00 0.00 0.00 37.83 36.71 3h3i s LYS 48 CO 0.00 0.06 1.49 -2.00 0.00 0.00 0.00 175.35 174.89 3h3i s GLU 49 N 0.48 3.84 -0.15 1.78 2.12 -1.26 -0.96 118.70 124.56 3h3i s GLU 49 Ca -0.09 1.48 -0.13 0.00 0.36 0.00 0.00 54.97 56.60 3h3i s GLU 49 Cb -0.12 -3.97 -0.05 0.00 0.26 0.00 0.00 34.13 30.24 3h3i s GLU 49 CO 0.02 -1.23 0.26 0.08 -0.54 0.00 0.00 175.26 173.85 3h3i s VAL 50 N 4.89 5.32 -0.14 3.70 1.01 0.19 -4.95 120.40 130.41 3h3i s VAL 50 Ca 0.65 0.49 -0.29 0.00 0.00 0.00 0.00 61.98 62.83 3h3i s VAL 50 Cb -0.21 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 3h3i s VAL 50 CO 0.27 0.44 1.15 -1.61 0.00 0.00 0.00 175.10 175.35 3h3i s GLU 51 N 0.13 4.30 -0.79 2.72 0.41 -1.26 -1.85 118.70 122.37 3h3i s GLU 51 Ca 0.16 1.54 -0.17 0.00 -0.41 0.00 0.00 54.97 56.09 3h3i s GLU 51 Cb -0.13 -3.64 0.02 0.00 -1.78 0.00 0.00 34.13 28.60 3h3i s GLU 51 CO 0.04 -0.55 0.47 -3.47 -0.49 0.00 0.00 175.26 171.26 3h3i n ASP 52 N 5.90 -3.15 0.29 -0.19 2.03 -1.21 -4.83 116.55 115.39 3h3i n ASP 52 Ca 0.12 -0.88 0.15 0.00 0.52 0.00 0.00 54.79 54.71 3h3i n ASP 52 Cb 0.46 -1.15 0.90 0.00 -0.72 0.00 0.00 41.12 40.61 3h3i n ASP 52 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3h3i h PRO 53 N -0.70 0.00 -0.00 -0.67 0.13 -1.76 -1.17 132.00 127.82 3h3i h PRO 53 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3h3i h PRO 53 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3h3i h PRO 53 CO 0.34 0.03 -0.36 1.19 -0.23 0.00 0.00 178.00 178.98 3h3i n PHE 54 N -3.69 0.00 -2.05 1.56 3.01 -1.26 -4.91 117.46 110.12 3h3i n PHE 54 Ca -0.03 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.32 3h3i n PHE 54 Cb 0.12 -0.27 -0.01 0.00 -0.01 0.00 0.00 39.48 39.31 3h3i n PHE 54 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3h3i n GLY 55 N 1.46 0.15 0.24 1.37 0.00 -0.44 -4.90 105.19 103.07 3h3i n GLY 55 Ca 0.07 -0.44 0.16 0.00 0.00 0.00 0.00 46.02 45.81 3h3i n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3i h ALA 56 N 0.43 1.00 -0.77 4.61 0.00 -1.91 -3.49 119.26 119.13 3h3i h ALA 56 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3h3i h ALA 56 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3h3i h ALA 56 CO 0.32 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.98 3h3i n GLY 57 N 0.26 0.60 3.73 0.00 0.00 -1.26 -4.70 105.19 103.82 3h3i n GLY 57 Ca 0.02 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.85 3h3i n GLY 57 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h3i s HIS 58 N 0.00 3.68 0.07 1.61 0.09 -1.26 -4.58 115.29 114.90 3h3i s HIS 58 Ca 0.00 1.45 0.08 0.00 -0.00 0.00 0.00 55.06 56.60 3h3i s HIS 58 Cb 0.00 -2.87 -0.03 0.00 -0.00 0.00 0.00 32.58 29.68 3h3i s HIS 58 CO 0.00 0.17 -0.23 -0.51 -0.00 0.00 0.00 174.74 174.17 3h3i s LEU 59 N 0.36 2.22 0.58 0.89 1.43 0.11 -4.92 118.68 119.35 3h3i s LEU 59 Ca 0.41 -0.61 -0.04 0.00 -1.03 0.00 0.00 54.13 52.86 3h3i s LEU 59 Cb -0.20 -1.06 0.02 0.00 0.03 0.00 0.00 46.19 44.97 3h3i s LEU 59 CO 0.22 0.16 0.86 -1.10 0.23 0.00 0.00 176.35 176.73 3h3i s GLN 60 N -1.47 2.82 0.13 1.70 -0.21 -1.26 -0.46 119.66 120.91 3h3i s GLN 60 Ca 0.09 -0.20 -0.22 0.00 0.02 0.00 0.00 55.36 55.05 3h3i s GLN 60 Cb -0.09 -2.33 0.06 0.00 1.00 0.00 0.00 33.01 31.65 3h3i s GLN 60 CO 0.03 -0.69 0.56 -1.12 -2.12 0.00 0.00 175.29 171.95 3h3i s SER 62 N -4.33 -0.50 -0.00 5.90 0.01 -0.21 -4.57 113.70 110.00 3h3i s SER 62 Ca 0.54 0.00 0.04 0.00 1.31 0.00 0.00 55.95 57.84 3h3i s SER 62 Cb -0.10 0.56 -0.01 0.00 0.21 0.00 0.00 66.02 66.68 3h3i s SER 62 CO 0.43 -0.90 -0.12 0.42 0.41 0.00 0.00 173.24 173.48 3h3i s THR 63 N -3.48 0.97 0.12 1.44 -4.23 -0.36 -0.72 115.64 109.38 3h3i s THR 63 Ca 0.00 -0.57 -0.14 0.00 -1.18 0.00 0.00 61.69 59.80 3h3i s THR 63 Cb -0.00 -0.82 0.02 0.00 1.34 0.00 0.00 72.50 73.04 3h3i s THR 63 CO -0.10 0.24 0.33 -0.72 -0.54 0.00 0.00 174.62 173.83 3h3i s TYR 64 N -0.35 -0.08 0.79 3.99 -0.85 -0.81 -0.76 117.35 119.28 3h3i s TYR 64 Ca 0.04 -0.27 -0.13 0.00 -0.52 0.00 0.00 57.07 56.19 3h3i s TYR 64 Cb -0.05 0.16 0.07 0.00 0.38 0.00 0.00 41.96 42.52 3h3i s TYR 64 CO -0.00 -0.66 1.16 -0.80 -1.52 0.00 0.00 175.55 173.73 3h3i s ASN 65 N -2.83 3.94 0.74 -0.18 0.01 -1.26 -0.89 114.94 114.47 3h3i s ASN 65 Ca 0.04 2.19 -0.11 0.00 -0.71 0.00 0.00 52.86 54.26 3h3i s ASN 65 Cb 0.03 -2.57 0.03 0.00 0.41 0.00 0.00 41.25 39.15 3h3i s ASN 65 CO -0.11 -2.42 1.09 0.42 -1.51 0.00 0.00 177.10 174.56 3h3i s THR 66 N -2.37 3.50 0.48 1.60 -4.23 -1.26 -4.66 115.64 108.70 3h3i s THR 66 Ca 0.69 0.49 0.13 0.00 -1.18 0.00 0.00 61.69 61.82 3h3i s THR 66 Cb -0.24 -3.33 0.27 0.00 1.34 0.00 0.00 72.50 70.54 3h3i s THR 66 CO 0.50 -0.64 2.11 0.00 -0.54 0.00 0.00 174.62 176.06 3h3i h ALA 67 N -0.82 1.92 -0.00 3.99 0.00 -1.99 0.69 119.26 123.05 3h3i h ALA 67 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3h3i h ALA 67 Cb 1.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3h3i h ALA 67 CO 0.61 0.06 -0.00 -1.13 0.00 0.00 0.00 179.25 178.79 3h3i n SER 68 N -4.51 0.18 -3.48 0.00 3.41 -1.26 -4.92 113.62 103.03 3h3i n SER 68 Ca -0.00 -1.04 -0.19 0.00 -0.26 0.00 0.00 58.87 57.38 3h3i n SER 68 Cb 0.11 -0.01 0.08 0.00 -0.26 0.00 0.00 64.21 64.13 3h3i n SER 68 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3h3i n ASN 69 N -0.87 -2.79 -4.75 4.04 5.15 0.23 -4.94 115.26 111.34 3h3i n ASN 69 Ca 0.23 -0.62 -0.38 0.00 -0.60 0.00 0.00 54.58 53.22 3h3i n ASN 69 Cb 0.14 -5.03 0.04 0.00 -0.53 0.00 0.00 39.78 34.40 3h3i n ASN 69 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3h3i s SER 70 N -4.16 5.17 0.00 1.20 0.15 -1.26 -4.75 113.70 110.05 3h3i s SER 70 Ca 0.11 2.64 0.22 0.00 0.70 0.00 0.00 55.95 59.62 3h3i s SER 70 Cb -0.05 -2.62 -0.10 0.00 -1.71 0.00 0.00 66.02 61.53 3h3i s SER 70 CO 0.74 -1.63 0.94 -1.84 1.20 0.00 0.00 173.24 172.65 3h3i n GLU 71 N -1.27 0.12 0.00 5.44 0.00 -1.26 -4.36 120.64 119.30 3h3i n GLU 71 Ca 0.12 -0.02 0.04 0.00 0.00 0.00 0.00 57.16 57.29 3h3i n GLU 71 Cb 0.47 -1.52 0.02 0.00 0.00 0.00 0.00 31.44 30.41 3h3i n GLU 71 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3h3i n THR 72 N -1.65 0.00 -4.19 3.84 -2.24 -1.26 -4.49 114.28 104.29 3h3i n THR 72 Ca 0.03 -0.47 -0.16 0.00 -2.27 0.00 0.00 64.05 61.18 3h3i n THR 72 Cb 0.37 1.13 -0.06 0.00 -2.10 0.00 0.00 70.33 69.67 3h3i n THR 72 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3h3i n GLU 73 N 0.13 0.42 -4.27 -0.78 1.02 -1.26 -0.25 120.64 115.64 3h3i n GLU 73 Ca 0.04 -2.78 -0.32 0.00 -0.02 0.00 0.00 57.16 54.08 3h3i n GLU 73 Cb 0.17 2.37 -0.09 0.00 -0.02 0.00 0.00 31.44 33.88 3h3i n GLU 73 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3h3i s TRP 75 N -3.17 3.06 -0.09 -0.32 0.52 -0.07 -4.42 118.94 114.44 3h3i s TRP 75 Ca 0.32 0.06 0.02 0.00 0.02 0.00 0.00 56.10 56.53 3h3i s TRP 75 Cb 0.01 -1.65 0.01 0.00 -1.15 0.00 0.00 33.47 30.69 3h3i s TRP 75 CO 0.23 0.46 -0.14 -1.17 0.02 0.00 0.00 176.95 176.35 3h3i s LEU 76 N -1.63 1.66 -0.05 2.99 0.20 -0.04 -1.92 118.68 119.88 3h3i s LEU 76 Ca 0.20 -0.37 -0.02 0.00 0.69 0.00 0.00 54.13 54.62 3h3i s LEU 76 Cb -0.12 -0.98 0.03 0.00 -0.43 0.00 0.00 46.19 44.70 3h3i s LEU 76 CO 0.11 0.02 0.09 -0.62 -0.29 0.00 0.00 176.35 175.65 3h3i s ASP 77 N 0.91 0.95 0.00 3.68 -1.08 0.10 -1.70 116.67 119.54 3h3i s ASP 77 Ca -0.09 0.15 0.18 0.00 -0.52 0.00 0.00 52.55 52.27 3h3i s ASP 77 Cb -0.15 -0.02 0.82 0.00 -1.46 0.00 0.00 42.92 42.11 3h3i s ASP 77 CO 0.00 -0.24 1.56 -0.90 0.52 0.00 0.00 175.17 176.12 3h3i n ASP 78 N 5.22 0.90 -2.22 -0.34 5.75 -0.43 -1.05 116.55 124.38 3h3i n ASP 78 Ca -0.05 -1.63 -0.13 0.00 -0.01 0.00 0.00 54.79 52.97 3h3i n ASP 78 Cb 0.50 -0.06 -0.02 0.00 -1.03 0.00 0.00 41.12 40.51 3h3i n ASP 78 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3h3i n LEU 79 N -0.17 -1.19 0.00 -2.12 4.77 -1.26 -0.66 117.00 116.37 3h3i n LEU 79 Ca 0.14 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 3h3i n LEU 79 Cb 0.20 -2.20 0.00 0.00 -2.33 0.00 0.00 43.42 39.09 3h3i n LEU 79 CO 0.11 -0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.52 3h3i n GLY 80 N -0.71 0.49 0.13 -0.72 0.00 -1.26 -4.91 105.19 98.21 3h3i n GLY 80 Ca -0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.99 3h3i n GLY 80 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3h3i h ASN 81 N 0.00 0.00 0.00 1.61 2.35 -1.17 -3.42 115.58 114.94 3h3i h ASN 81 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3h3i h ASN 81 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 3h3i h ASN 81 CO 0.00 0.03 0.00 0.33 -1.65 0.00 0.00 177.43 176.14 3h3i n PHE 82 N -2.61 0.00 0.57 1.19 7.35 -1.26 -4.95 117.46 117.75 3h3i n PHE 82 Ca 0.03 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.84 3h3i n PHE 82 Cb 0.50 0.00 0.18 0.00 0.35 0.00 0.00 39.48 40.51 3h3i n PHE 82 CO 0.00 0.00 0.00 1.87 -0.76 0.00 0.00 176.76 177.87 3h3i n TRP 83 N 0.00 0.57 -1.68 -5.13 -0.00 -1.26 -4.99 117.44 104.95 3h3i n TRP 83 Ca 0.00 0.17 -0.01 0.00 -0.00 0.00 0.00 57.50 57.66 3h3i n TRP 83 Cb 0.00 -0.67 0.00 0.00 -0.00 0.00 0.00 31.31 30.64 3h3i n TRP 83 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 3h3i n GLU 84 N -2.12 -0.24 -3.86 5.87 1.02 -1.26 -5.08 120.64 114.98 3h3i n GLU 84 Ca 0.03 0.67 -0.11 0.00 -0.02 0.00 0.00 57.16 57.73 3h3i n GLU 84 Cb 0.44 -2.03 -0.11 0.00 -0.02 0.00 0.00 31.44 29.72 3h3i n GLU 84 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 3h3i s TYR 85 N -2.09 -0.01 -0.16 -0.32 1.13 -1.26 -4.55 117.35 110.08 3h3i s TYR 85 Ca 0.02 0.02 -0.07 0.00 -1.41 0.00 0.00 57.07 55.62 3h3i s TYR 85 Cb -0.00 -0.02 0.07 0.00 -1.10 0.00 0.00 41.96 40.90 3h3i s TYR 85 CO 0.10 -0.21 0.37 0.21 -2.51 0.00 0.00 175.55 173.50 3h3i s LYS 86 N -0.91 0.30 0.21 -3.49 2.20 -1.26 -1.31 119.74 115.48 3h3i s LYS 86 Ca -0.10 0.84 -0.14 0.00 -0.36 0.00 0.00 55.97 56.21 3h3i s LYS 86 Cb -0.06 0.09 0.01 0.00 -1.51 0.00 0.00 37.83 36.36 3h3i s LYS 86 CO 0.01 -0.21 0.47 -0.48 -0.36 0.00 0.00 175.35 174.78 3h3i s LEU 87 N 1.99 0.33 0.15 5.43 2.34 -0.69 -0.40 118.68 127.83 3h3i s LEU 87 Ca -0.05 -0.74 -0.18 0.00 0.06 0.00 0.00 54.13 53.22 3h3i s LEU 87 Cb -0.11 1.85 -0.07 0.00 -0.56 0.00 0.00 46.19 47.30 3h3i s LEU 87 CO -0.12 -1.07 0.62 -0.54 -1.06 0.00 0.00 176.35 174.18 3h3i s LYS 88 N -3.95 4.16 0.13 1.48 1.02 -1.26 -0.86 119.74 120.45 3h3i s LYS 88 Ca 0.16 0.71 0.11 0.00 0.02 0.00 0.00 55.97 56.97 3h3i s LYS 88 Cb -0.00 -3.02 -0.04 0.00 -0.52 0.00 0.00 37.83 34.25 3h3i s LYS 88 CO 0.03 0.50 -0.26 0.14 -0.92 0.00 0.00 175.35 174.84 3h3i s VAL 89 N -1.37 2.18 0.32 3.17 -7.23 -1.26 -4.88 120.40 111.33 3h3i s VAL 89 Ca 0.37 -1.73 -0.26 0.00 -1.81 0.00 0.00 61.98 58.55 3h3i s VAL 89 Cb -0.17 -1.93 -0.10 0.00 0.56 0.00 0.00 36.38 34.74 3h3i s VAL 89 CO 0.20 0.07 0.98 0.20 -0.31 0.00 0.00 175.10 176.24 3h3i s ASN 90 N -2.03 7.26 0.05 4.85 0.01 0.30 -4.35 114.94 121.03 3h3i s ASN 90 Ca 0.13 1.92 0.07 0.00 -0.71 0.00 0.00 52.86 54.27 3h3i s ASN 90 Cb -0.10 -2.59 -0.03 0.00 0.41 0.00 0.00 41.25 38.95 3h3i s ASN 90 CO 0.06 -0.13 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.63 3h3i s VAL 91 N -1.54 1.59 -0.38 1.60 1.01 0.65 -1.90 120.40 121.43 3h3i s VAL 91 Ca 0.50 -1.20 0.03 0.00 0.00 0.00 0.00 61.98 61.31 3h3i s VAL 91 Cb -0.21 -1.39 0.11 0.00 0.00 0.00 0.00 36.38 34.89 3h3i s VAL 91 CO 0.27 0.15 0.12 0.21 0.00 0.00 0.00 175.10 175.85 3h3i s ASN 92 N -1.24 4.38 0.28 3.32 3.84 -0.57 -4.54 114.94 120.42 3h3i s ASN 92 Ca 0.06 -2.27 -0.03 0.00 0.21 0.00 0.00 52.86 50.84 3h3i s ASN 92 Cb -0.09 -1.39 0.38 0.00 -0.55 0.00 0.00 41.25 39.60 3h3i s ASN 92 CO 0.02 -0.35 1.90 0.22 -2.79 0.00 0.00 177.10 176.10 3h3i h TYR 93 N 7.39 1.02 0.04 0.43 3.20 -1.82 0.11 116.97 127.34 3h3i h TYR 93 Ca -0.07 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.79 3h3i h TYR 93 Cb 0.98 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.91 3h3i h TYR 93 CO 0.45 0.72 -0.11 0.00 -1.64 0.00 0.00 178.16 177.58 3h3i h ALA 94 N 1.39 -0.16 -0.00 1.82 0.00 -1.95 -2.45 119.26 117.90 3h3i h ALA 94 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3h3i h ALA 94 Cb 0.05 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3h3i h ALA 94 CO -0.04 -0.62 -0.04 0.00 0.00 0.00 0.00 179.25 178.55 3h3i n ALA 95 N -2.36 2.51 -3.96 0.00 0.00 -1.08 -4.92 120.51 110.70 3h3i n ALA 95 Ca -0.06 -0.15 -0.31 0.00 0.00 0.00 0.00 53.44 52.92 3h3i n ALA 95 Cb 0.16 -1.45 0.01 0.00 0.00 0.00 0.00 19.45 18.18 3h3i n ALA 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3h3i n ARG 96 N -1.34 -4.90 -4.36 0.00 1.74 -0.01 -4.94 116.66 102.86 3h3i n ARG 96 Ca 0.11 0.54 -0.24 0.00 -0.77 0.00 0.00 57.85 57.50 3h3i n ARG 96 Cb 0.29 -5.34 -0.08 0.00 -1.02 0.00 0.00 32.46 26.30 3h3i n ARG 96 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3h3i s THR 97 N -3.36 2.90 0.01 0.55 -4.23 -0.98 -2.15 115.64 108.38 3h3i s THR 97 Ca 0.60 -2.08 -0.21 0.00 -1.18 0.00 0.00 61.69 58.82 3h3i s THR 97 Cb -0.30 -2.67 0.04 0.00 1.34 0.00 0.00 72.50 70.91 3h3i s THR 97 CO 0.85 -0.33 0.47 0.72 -0.54 0.00 0.00 174.62 175.79 3h3i s PHE 98 N -2.44 -0.36 -0.02 3.99 -0.71 -0.49 -1.51 117.98 116.44 3h3i s PHE 98 Ca 0.32 0.48 -0.30 0.00 -1.04 0.00 0.00 56.93 56.39 3h3i s PHE 98 Cb -0.04 0.25 0.11 0.00 -1.21 0.00 0.00 43.02 42.14 3h3i s PHE 98 CO 0.18 -0.55 1.15 -1.54 -1.34 0.00 0.00 175.22 173.13 3h3i s SER 99 N -1.65 -0.14 0.27 1.98 1.04 -0.80 -1.17 113.70 113.24 3h3i s SER 99 Ca -0.09 -0.14 0.06 0.00 0.48 0.00 0.00 55.95 56.26 3h3i s SER 99 Cb -0.02 0.25 -0.02 0.00 0.10 0.00 0.00 66.02 66.33 3h3i s SER 99 CO 0.02 -0.45 0.38 0.42 0.98 0.00 0.00 173.24 174.60 3h3i s THR 100 N -2.69 4.86 -0.64 2.02 -4.23 -0.56 -0.54 115.64 113.88 3h3i s THR 100 Ca 0.11 -1.02 -0.16 0.00 -1.18 0.00 0.00 61.69 59.45 3h3i s THR 100 Cb 0.01 -3.70 0.15 0.00 1.34 0.00 0.00 72.50 70.30 3h3i s THR 100 CO -0.03 -0.28 0.62 -0.89 -0.54 0.00 0.00 174.62 173.50 3h3i s THR 101 N -2.05 5.25 0.00 3.99 2.01 -1.26 -4.73 115.64 118.84 3h3i s THR 101 Ca 0.37 -1.69 0.00 0.00 0.31 0.00 0.00 61.69 60.68 3h3i s THR 101 Cb -0.09 -4.41 0.00 0.00 0.01 0.00 0.00 72.50 68.01 3h3i s THR 101 CO 0.29 -0.97 0.00 0.61 -0.69 0.00 0.00 174.62 173.86 3h3i n GLY 102 N 4.92 0.08 3.70 4.40 0.00 -1.26 -4.70 105.19 112.32 3h3i n GLY 102 Ca -0.05 -0.94 -0.38 0.00 0.00 0.00 0.00 46.02 44.65 3h3i n GLY 102 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h3i s PHE 103 N 0.00 3.44 0.18 1.61 0.40 -1.26 -4.39 117.98 117.96 3h3i s PHE 103 Ca 0.00 0.75 0.10 0.00 -0.60 0.00 0.00 56.93 57.18 3h3i s PHE 103 Cb 0.00 -2.53 -0.04 0.00 0.51 0.00 0.00 43.02 40.96 3h3i s PHE 103 CO 0.00 0.08 -0.17 0.08 0.70 0.00 0.00 175.22 175.91 3h3i s VAL 104 N 0.96 2.78 0.22 -0.44 1.01 0.64 -4.82 120.40 120.75 3h3i s VAL 104 Ca 0.22 -1.80 -0.31 0.00 0.00 0.00 0.00 61.98 60.10 3h3i s VAL 104 Cb -0.15 -2.34 -0.10 0.00 0.00 0.00 0.00 36.38 33.79 3h3i s VAL 104 CO 0.08 -0.08 1.52 -1.81 0.00 0.00 0.00 175.10 174.82 3h3i s ASP 105 N -2.66 6.58 0.16 3.32 1.01 -1.26 -0.73 116.67 123.10 3h3i s ASP 105 Ca 0.22 2.69 -0.30 0.00 0.71 0.00 0.00 52.55 55.87 3h3i s ASP 105 Cb -0.09 -2.61 -0.07 0.00 1.01 0.00 0.00 42.92 41.16 3h3i s ASP 105 CO 0.12 -0.79 1.00 0.21 0.21 0.00 0.00 175.17 175.92 3h3i s ASN 106 N 0.75 7.46 0.04 0.27 2.47 0.14 -4.71 114.94 121.36 3h3i s ASN 106 Ca 0.65 1.93 0.24 0.00 0.42 0.00 0.00 52.86 56.10 3h3i s ASN 106 Cb -0.44 -2.60 0.26 0.00 -1.45 0.00 0.00 41.25 37.03 3h3i s ASN 106 CO 0.38 -0.06 1.23 0.52 -3.72 0.00 0.00 177.10 175.45 3h3i n VAL 107 N 2.34 0.12 0.12 -5.21 0.31 0.46 -4.33 118.33 112.13 3h3i n VAL 107 Ca 0.01 -0.13 -0.24 0.00 -0.01 0.00 0.00 64.34 63.98 3h3i n VAL 107 Cb 0.48 0.23 -0.16 0.00 -0.91 0.00 0.00 33.84 33.49 3h3i n VAL 107 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3h3i h THR 108 N 0.00 1.27 -3.75 2.52 2.02 -1.85 -3.48 112.91 109.64 3h3i h THR 108 Ca 0.00 -2.64 -0.14 0.00 0.77 0.00 0.00 66.41 64.40 3h3i h THR 108 Cb 0.62 3.03 -0.07 0.00 -1.74 0.00 0.00 68.15 69.98 3h3i h THR 108 CO 0.00 0.80 -0.10 -0.72 0.37 0.00 0.00 175.52 175.87 3h3i s TYR 109 N -2.56 0.61 -0.66 3.16 1.13 -1.26 -5.07 117.35 112.70 3h3i s TYR 109 Ca -0.11 -0.97 -0.26 0.00 -1.41 0.00 0.00 57.07 54.32 3h3i s TYR 109 Cb 0.04 0.17 0.04 0.00 -1.10 0.00 0.00 41.96 41.10 3h3i s TYR 109 CO 0.91 -1.13 1.15 -2.00 -2.51 0.00 0.00 175.55 171.97 3h3i s GLU 110 N -3.40 3.27 0.18 -3.49 2.12 -1.26 -4.40 118.70 111.72 3h3i s GLU 110 Ca 0.25 -0.24 -0.19 0.00 0.36 0.00 0.00 54.97 55.15 3h3i s GLU 110 Cb -0.01 -4.13 0.07 0.00 0.26 0.00 0.00 34.13 30.32 3h3i s GLU 110 CO 0.14 -1.88 0.91 -1.13 -0.54 0.00 0.00 175.26 172.77 3h3i n SER 111 N 8.55 -1.59 -4.13 -1.70 3.41 -1.26 -5.03 113.62 111.87 3h3i n SER 111 Ca 0.03 -1.85 -0.15 0.00 -0.26 0.00 0.00 58.87 56.64 3h3i n SER 111 Cb 0.48 2.58 -0.11 0.00 -0.26 0.00 0.00 64.21 66.90 3h3i n SER 111 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3h3i s LYS 112 N -2.05 0.72 0.01 4.33 1.02 -1.26 -0.69 119.74 121.82 3h3i s LYS 112 Ca 0.20 -0.96 0.01 0.00 0.02 0.00 0.00 55.97 55.25 3h3i s LYS 112 Cb -0.03 -0.51 -0.01 0.00 -0.52 0.00 0.00 37.83 36.77 3h3i s LYS 112 CO 0.05 0.09 -0.04 0.08 -0.92 0.00 0.00 175.35 174.62 3h3i s VAL 113 N -1.76 0.27 -0.10 3.17 1.01 0.10 -1.77 120.40 121.30 3h3i s VAL 113 Ca -0.02 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.60 3h3i s VAL 113 Cb -0.07 -0.28 0.01 0.00 0.00 0.00 0.00 36.38 36.04 3h3i s VAL 113 CO 0.01 -0.08 -0.20 -0.75 0.00 0.00 0.00 175.10 174.08 3h3i s LYS 114 N -0.50 2.62 -0.10 2.72 2.20 -0.43 -0.26 119.74 125.99 3h3i s LYS 114 Ca -0.03 -0.72 0.02 0.00 -0.36 0.00 0.00 55.97 54.88 3h3i s LYS 114 Cb -0.04 -2.07 -0.02 0.00 -1.51 0.00 0.00 37.83 34.19 3h3i s LYS 114 CO -0.00 0.06 -0.15 0.42 -0.36 0.00 0.00 175.35 175.32 3h3i s ILE 115 N 0.63 2.90 0.03 5.43 -1.09 -1.26 -1.09 121.20 126.76 3h3i s ILE 115 Ca -0.13 -0.73 0.03 0.00 -2.23 0.00 0.00 60.65 57.58 3h3i s ILE 115 Cb -0.16 -2.18 -0.02 0.00 -1.58 0.00 0.00 42.46 38.52 3h3i s ILE 115 CO 0.04 0.55 -0.09 -0.89 -1.23 0.00 0.00 174.94 173.32 3h3i s THR 116 N 0.04 0.65 -1.38 2.92 2.01 -1.26 -1.49 115.64 117.13 3h3i s THR 116 Ca -0.05 -0.84 -0.06 0.00 0.31 0.00 0.00 61.69 61.04 3h3i s THR 116 Cb -0.15 -0.64 0.03 0.00 0.01 0.00 0.00 72.50 71.75 3h3i s THR 116 CO 0.05 -0.16 0.87 0.47 -0.69 0.00 0.00 174.62 175.16 3h3i n ASP 117 N 1.94 -3.02 -4.74 3.53 8.00 -1.26 -4.69 116.55 116.32 3h3i n ASP 117 Ca -0.19 -0.76 -0.40 0.00 0.71 0.00 0.00 54.79 54.15 3h3i n ASP 117 Cb 0.56 -4.20 -0.05 0.00 -0.02 0.00 0.00 41.12 37.41 3h3i n ASP 117 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3h3i s GLY 118 N -3.90 2.98 -0.03 0.44 0.00 -0.31 -4.38 107.32 102.12 3h3i s GLY 118 Ca 0.29 0.51 -0.06 0.00 0.00 0.00 0.00 44.72 45.46 3h3i s GLY 118 CO 0.80 1.28 0.14 0.54 0.00 0.00 0.00 173.10 175.87 3h3i s LYS 119 N -0.35 0.33 -0.24 2.90 1.02 -0.00 -1.39 119.74 122.00 3h3i s LYS 119 Ca 0.43 -0.10 0.02 0.00 0.02 0.00 0.00 55.97 56.34 3h3i s LYS 119 Cb -0.23 0.14 0.05 0.00 -0.52 0.00 0.00 37.83 37.27 3h3i s LYS 119 CO 0.29 -0.07 -0.10 0.08 -0.92 0.00 0.00 175.35 174.63 3h3i s VAL 120 N -0.65 1.89 -0.18 3.17 1.01 -0.92 -1.21 120.40 123.51 3h3i s VAL 120 Ca -0.07 -1.35 -0.05 0.00 0.00 0.00 0.00 61.98 60.50 3h3i s VAL 120 Cb -0.04 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 3h3i s VAL 120 CO 0.01 0.04 -0.00 -0.76 0.00 0.00 0.00 175.10 174.38 3h3i s LEU 121 N 1.25 3.34 0.03 3.92 1.43 -0.54 -4.85 118.68 123.26 3h3i s LEU 121 Ca -0.06 -0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 52.60 3h3i s LEU 121 Cb -0.18 -1.83 -0.07 0.00 0.03 0.00 0.00 46.19 44.13 3h3i s LEU 121 CO -0.07 0.11 1.63 -0.70 0.23 0.00 0.00 176.35 177.56 3h3i s GLU 122 N 0.72 4.20 -0.94 1.70 2.12 -1.26 -1.29 118.70 123.96 3h3i s GLU 122 Ca -0.00 2.26 -0.05 0.00 0.36 0.00 0.00 54.97 57.54 3h3i s GLU 122 Cb -0.14 -3.71 0.05 0.00 0.26 0.00 0.00 34.13 30.58 3h3i s GLU 122 CO 0.02 -0.75 0.23 1.63 -0.54 0.00 0.00 175.26 175.85 3h3i n LYS 123 N 6.02 -2.74 0.02 4.30 4.76 -1.25 -4.84 118.16 124.42 3h3i n LYS 123 Ca 0.16 0.36 0.12 0.00 -2.87 0.00 0.00 58.31 56.08 3h3i n LYS 123 Cb 0.41 -4.98 0.22 0.00 -1.84 0.00 0.00 35.03 28.85 3h3i n LYS 123 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3h3i n ALA 124 N -2.93 3.32 -2.08 7.82 0.00 -1.08 -4.34 120.51 121.22 3h3i n ALA 124 Ca -0.04 -0.32 -0.19 0.00 0.00 0.00 0.00 53.44 52.89 3h3i n ALA 124 Cb 0.54 -1.13 0.02 0.00 0.00 0.00 0.00 19.45 18.88 3h3i n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h3i s ALA 125 N -3.06 4.52 -0.10 0.00 0.00 0.13 -4.91 121.76 118.33 3h3i s ALA 125 Ca 0.09 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 50.22 3h3i s ALA 125 Cb 0.16 -1.42 0.02 0.00 0.00 0.00 0.00 23.12 21.89 3h3i s ALA 125 CO 0.71 -0.48 -0.09 0.99 0.00 0.00 0.00 175.76 176.89 3h3i s THR 126 N -2.50 1.06 0.98 0.00 2.01 -1.26 -0.63 115.64 115.29 3h3i s THR 126 Ca 0.55 -0.34 -0.12 0.00 0.31 0.00 0.00 61.69 62.08 3h3i s THR 126 Cb -0.07 -1.04 0.17 0.00 0.01 0.00 0.00 72.50 71.57 3h3i s THR 126 CO 0.33 0.36 1.09 0.42 -0.69 0.00 0.00 174.62 176.14 3h3i s THR 127 N 1.41 2.21 0.48 -0.82 -4.23 -1.26 -4.88 115.64 108.55 3h3i s THR 127 Ca -0.00 0.07 0.35 0.00 -1.18 0.00 0.00 61.69 60.92 3h3i s THR 127 Cb -0.13 -2.56 0.38 0.00 1.34 0.00 0.00 72.50 71.52 3h3i s THR 127 CO -0.05 -0.09 2.20 -0.65 -0.54 0.00 0.00 174.62 175.49 3h3i h PRO 128 N -1.82 0.00 -0.12 3.99 0.11 -1.88 -1.40 132.00 130.88 3h3i h PRO 128 Ca -0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3h3i h PRO 128 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3h3i h PRO 128 CO 0.57 0.04 0.00 0.43 -0.21 0.00 0.00 178.00 178.83 3h3i n SER 129 N -3.38 1.32 -1.31 -2.05 7.64 -1.26 -5.03 113.62 109.54 3h3i n SER 129 Ca -0.02 -1.63 0.00 0.00 1.01 0.00 0.00 58.87 58.23 3h3i n SER 129 Cb 0.16 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 3h3i n SER 129 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h3i n GLY 130 N 1.07 -0.47 3.64 0.23 0.00 -0.53 -5.17 105.19 103.95 3h3i n GLY 130 Ca 0.16 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 3h3i n GLY 130 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h3i s PRO 132 N -1.21 2.70 -0.02 1.61 0.04 -1.26 -4.88 135.00 131.98 3h3i s PRO 132 Ca 0.00 -0.64 -0.07 0.00 0.04 0.00 0.00 61.00 60.33 3h3i s PRO 132 Cb 0.00 -2.60 0.01 0.00 0.04 0.00 0.00 34.50 31.94 3h3i s PRO 132 CO 0.00 0.62 0.16 0.00 0.04 0.00 0.00 177.00 177.82 3h3i s ALA 133 N -1.02 -0.38 0.44 8.56 0.00 0.20 -4.80 121.76 124.76 3h3i s ALA 133 Ca 0.18 0.07 -0.25 0.00 0.00 0.00 0.00 51.96 51.95 3h3i s ALA 133 Cb -0.11 -0.01 -0.09 0.00 0.00 0.00 0.00 23.12 22.91 3h3i s ALA 133 CO 0.08 -0.17 1.32 -0.25 0.00 0.00 0.00 175.76 176.74 3h3i n ASP 134 N 1.89 2.78 -4.67 0.00 8.00 -1.26 0.19 116.55 123.49 3h3i n ASP 134 Ca -0.20 1.10 -0.28 0.00 0.71 0.00 0.00 54.79 56.13 3h3i n ASP 134 Cb 0.56 -1.54 -0.08 0.00 -0.02 0.00 0.00 41.12 40.05 3h3i n ASP 134 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3h3i s SER 135 N -0.54 4.86 0.00 -2.24 1.04 -0.41 -0.40 113.70 116.02 3h3i s SER 135 Ca 0.62 -0.31 0.06 0.00 0.48 0.00 0.00 55.95 56.79 3h3i s SER 135 Cb -0.48 -1.08 -0.02 0.00 0.10 0.00 0.00 66.02 64.54 3h3i s SER 135 CO 0.57 0.12 -0.18 -0.51 0.98 0.00 0.00 173.24 174.22 3h3i s ILE 136 N -1.56 1.44 -0.09 -1.02 2.07 -0.38 -1.46 121.20 120.20 3h3i s ILE 136 Ca 0.27 -0.88 -0.12 0.00 -1.41 0.00 0.00 60.65 58.51 3h3i s ILE 136 Cb -0.10 -1.22 0.03 0.00 0.13 0.00 0.00 42.46 41.30 3h3i s ILE 136 CO 0.18 0.32 0.31 0.54 -1.91 0.00 0.00 174.94 174.38 3h3i s VAL 137 N -0.54 0.02 0.00 4.00 0.11 -0.35 -0.98 120.40 122.66 3h3i s VAL 137 Ca 0.07 -0.15 0.00 0.00 -2.93 0.00 0.00 61.98 58.97 3h3i s VAL 137 Cb -0.07 -0.49 0.00 0.00 -1.53 0.00 0.00 36.38 34.29 3h3i s VAL 137 CO 0.00 -0.08 0.00 0.00 -3.33 0.00 0.00 175.10 171.69 3h3i n TYR 138 N 2.45 0.00 0.00 1.54 4.11 0.20 -0.82 117.16 124.63 3h3i n TYR 138 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.75 3h3i n TYR 138 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.91 3h3i n TYR 138 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.86 178.41 3h3i n VAL 140 N 0.00 0.00 -4.56 -3.48 3.14 0.00 -0.43 118.33 113.00 3h3i n VAL 140 Ca 0.00 0.00 -0.23 0.00 -2.96 0.00 0.00 64.34 61.15 3h3i n VAL 140 Cb 0.00 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 32.64 3h3i n VAL 140 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 3h3i s GLN 141 N -1.13 1.16 -0.14 1.45 -0.21 -0.25 -1.15 119.66 119.39 3h3i s GLN 141 Ca 0.00 -0.73 0.01 0.00 0.02 0.00 0.00 55.36 54.66 3h3i s GLN 141 Cb 0.00 -1.18 -0.00 0.00 1.00 0.00 0.00 33.01 32.83 3h3i s GLN 141 CO 0.00 0.31 -0.17 -0.06 -2.12 0.00 0.00 175.29 173.25 3h3i s PHE 142 N -0.65 2.75 0.35 0.91 0.08 -1.26 -1.31 117.98 118.84 3h3i s PHE 142 Ca 0.05 -1.01 0.27 0.00 0.12 0.00 0.00 56.93 56.36 3h3i s PHE 142 Cb -0.07 -1.85 1.36 0.00 -0.57 0.00 0.00 43.02 41.89 3h3i s PHE 142 CO 0.01 -0.44 2.02 0.38 -0.10 0.00 0.00 175.22 177.09 3h3i h ASP 143 N 7.14 0.00 -0.40 1.36 2.03 -1.75 -1.94 116.42 122.86 3h3i h ASP 143 Ca -0.30 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.00 3h3i h ASP 143 Cb 1.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 3h3i h ASP 143 CO 0.55 0.14 0.00 -0.90 -1.03 0.00 0.00 179.24 178.00 3h3i n ASP 144 N -3.55 3.40 -4.47 4.15 5.68 -1.26 -4.78 116.55 115.72 3h3i n ASP 144 Ca -0.01 -2.36 -0.43 0.00 -0.50 0.00 0.00 54.79 51.49 3h3i n ASP 144 Cb 0.28 -0.50 -0.05 0.00 -1.14 0.00 0.00 41.12 39.71 3h3i n ASP 144 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3h3i s ASP 145 N -0.69 6.27 0.59 -1.12 2.15 -0.73 -4.91 116.67 118.22 3h3i s ASP 145 Ca 0.33 -0.71 0.37 0.00 0.43 0.00 0.00 52.55 52.97 3h3i s ASP 145 Cb 0.22 -2.36 1.74 0.00 -0.30 0.00 0.00 42.92 42.22 3h3i s ASP 145 CO 0.14 -1.07 2.13 -0.33 -0.17 0.00 0.00 175.17 175.87 3h3i h GLU 146 N 9.17 0.00 0.00 4.34 5.08 -1.88 -0.50 114.58 130.79 3h3i h GLU 146 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3h3i h GLU 146 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3h3i h GLU 146 CO 1.03 0.02 -0.08 -0.25 -1.00 0.00 0.00 179.01 178.73 3h3i n ASP 147 N -3.16 0.28 -3.22 1.42 8.00 -1.26 -4.94 116.55 113.67 3h3i n ASP 147 Ca -0.01 0.42 -0.23 0.00 0.71 0.00 0.00 54.79 55.68 3h3i n ASP 147 Cb 0.22 -0.46 0.03 0.00 -0.02 0.00 0.00 41.12 40.89 3h3i n ASP 147 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h3i n GLY 148 N 1.45 -0.52 3.89 0.44 0.00 -0.20 -4.97 105.19 105.29 3h3i n GLY 148 Ca 0.06 0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 3h3i n GLY 148 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h3i s LEU 149 N -6.73 3.34 -0.25 0.99 1.43 -1.26 -5.05 118.68 111.14 3h3i s LEU 149 Ca 0.38 1.10 -0.06 0.00 -1.03 0.00 0.00 54.13 54.52 3h3i s LEU 149 Cb -0.18 -4.05 -0.01 0.00 0.03 0.00 0.00 46.19 41.98 3h3i s LEU 149 CO 0.47 -0.85 0.03 -0.89 0.23 0.00 0.00 176.35 175.34 3h3i s THR 150 N -3.01 3.88 -0.01 5.49 2.01 -1.26 -4.53 115.64 118.22 3h3i s THR 150 Ca 0.52 -0.40 -0.06 0.00 0.31 0.00 0.00 61.69 62.06 3h3i s THR 150 Cb -0.11 -2.84 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 3h3i s THR 150 CO 0.49 0.31 0.24 -0.31 -0.69 0.00 0.00 174.62 174.66 3h3i s TYR 151 N 1.54 3.57 -0.33 4.92 1.51 -0.30 -1.88 117.35 126.38 3h3i s TYR 151 Ca 0.05 0.51 -0.05 0.00 -1.01 0.00 0.00 57.07 56.58 3h3i s TYR 151 Cb -0.15 -1.94 0.05 0.00 -0.11 0.00 0.00 41.96 39.80 3h3i s TYR 151 CO 0.01 0.63 0.08 0.21 -1.11 0.00 0.00 175.55 175.37 3h3i s LYS 152 N -1.75 2.54 -0.15 -0.62 2.20 -0.08 -0.82 119.74 121.06 3h3i s LYS 152 Ca 0.27 -1.24 -0.16 0.00 -0.36 0.00 0.00 55.97 54.48 3h3i s LYS 152 Cb -0.13 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.75 3h3i s LYS 152 CO 0.16 -0.68 0.39 0.08 -0.36 0.00 0.00 175.35 174.94 3h3i s VAL 153 N 1.35 5.24 -0.13 4.02 1.01 0.43 -1.91 120.40 130.41 3h3i s VAL 153 Ca -0.02 0.74 -0.11 0.00 0.00 0.00 0.00 61.98 62.59 3h3i s VAL 153 Cb -0.20 -3.73 0.04 0.00 0.00 0.00 0.00 36.38 32.49 3h3i s VAL 153 CO 0.01 0.34 0.34 -0.55 0.00 0.00 0.00 175.10 175.24 3h3i s SER 154 N 0.65 -0.36 0.00 3.32 0.15 -0.94 -0.63 113.70 115.89 3h3i s SER 154 Ca 0.21 0.70 0.00 0.00 0.70 0.00 0.00 55.95 57.55 3h3i s SER 154 Cb -0.14 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 3h3i s SER 154 CO 0.07 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.99 3h3i n GLY 155 N 3.05 0.95 3.23 9.45 0.00 -0.15 -1.29 105.19 120.43 3h3i n GLY 155 Ca -0.14 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 3h3i n GLY 155 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h3i s PHE 156 N -2.63 1.15 -0.05 1.61 -0.71 -0.81 -1.24 117.98 115.30 3h3i s PHE 156 Ca 0.00 -0.94 -0.30 0.00 -1.04 0.00 0.00 56.93 54.65 3h3i s PHE 156 Cb 0.00 -0.64 -0.04 0.00 -1.21 0.00 0.00 43.02 41.12 3h3i s PHE 156 CO 0.00 -0.14 1.37 0.50 -1.34 0.00 0.00 175.22 175.61 3h3i s ARG 157 N -3.86 4.28 0.15 1.99 3.52 0.47 -1.55 118.95 123.94 3h3i s ARG 157 Ca 0.20 1.88 -0.34 0.00 -0.13 0.00 0.00 55.73 57.33 3h3i s ARG 157 Cb 0.05 -3.65 -0.15 0.00 -1.56 0.00 0.00 34.95 29.65 3h3i s ARG 157 CO 0.01 -0.60 1.51 -2.13 -0.81 0.00 0.00 175.30 173.27 3h3i n ARG 158 N 5.76 1.90 0.03 5.12 0.63 0.51 -4.80 116.66 125.81 3h3i n ARG 158 Ca 0.13 0.68 -0.04 0.00 -0.92 0.00 0.00 57.85 57.71 3h3i n ARG 158 Cb 0.44 -2.41 -0.10 0.00 0.45 0.00 0.00 32.46 30.84 3h3i n ARG 158 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 3h3i h THR 159 N 3.50 0.89 0.00 5.15 1.35 -1.89 -3.47 112.91 118.44 3h3i h THR 159 Ca -0.46 -2.54 0.00 0.00 -0.55 0.00 0.00 66.41 62.86 3h3i h THR 159 Cb 1.28 2.37 0.00 0.00 -1.73 0.00 0.00 68.15 70.07 3h3i h THR 159 CO 0.85 0.51 0.00 0.61 -0.25 0.00 0.00 175.52 177.24 3h3i n GLY 160 N 1.42 0.76 3.75 5.82 0.00 -1.26 -5.05 105.19 110.62 3h3i n GLY 160 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 3h3i n GLY 160 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h3i s PHE 161 N -2.38 3.72 0.48 1.61 0.08 -1.26 -4.94 117.98 115.30 3h3i s PHE 161 Ca 0.00 1.44 0.18 0.00 0.12 0.00 0.00 56.93 58.67 3h3i s PHE 161 Cb 0.00 -2.80 1.19 0.00 -0.57 0.00 0.00 43.02 40.85 3h3i s PHE 161 CO 0.00 0.28 2.01 -1.35 -0.10 0.00 0.00 175.22 176.06 3h3i h PRO 162 N 5.70 0.20 0.00 0.24 0.11 -1.96 0.23 132.00 136.52 3h3i h PRO 162 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3h3i h PRO 162 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3h3i h PRO 162 CO 0.71 0.13 0.00 0.00 -0.21 0.00 0.00 178.00 178.63 3h3i h ALA 163 N 1.75 1.00 -0.34 -0.75 0.00 -2.02 -2.37 119.26 116.53 3h3i h ALA 163 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3h3i h ALA 163 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3h3i h ALA 163 CO -0.04 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 178.96 3h3i n ASP 164 N -2.58 3.22 -4.96 0.00 8.00 0.06 -4.61 116.55 115.68 3h3i n ASP 164 Ca 0.00 -1.93 -0.22 0.00 0.71 0.00 0.00 54.79 53.35 3h3i n ASP 164 Cb 0.17 -0.22 0.01 0.00 -0.02 0.00 0.00 41.12 41.06 3h3i n ASP 164 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3h3i s ASP 165 N -1.34 5.87 0.00 -2.24 1.01 -0.89 -4.85 116.67 114.24 3h3i s ASP 165 Ca 0.33 0.16 0.00 0.00 0.71 0.00 0.00 52.55 53.75 3h3i s ASP 165 Cb 0.20 -1.46 0.00 0.00 1.01 0.00 0.00 42.92 42.67 3h3i s ASP 165 CO 0.27 -0.62 0.26 0.49 0.21 0.00 0.00 175.17 175.78