#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w3j s TRP 2 N 0.00 -0.11 -0.27 3.17 -0.11 -0.52 -4.82 118.94 116.27 2w3j s TRP 2 Ca 0.00 0.29 -0.09 0.00 1.22 0.00 0.00 56.10 57.52 2w3j s TRP 2 Cb 0.00 -0.01 -0.03 0.00 -1.50 0.00 0.00 33.47 31.93 2w3j s TRP 2 CO 0.00 -0.08 0.12 -1.17 -4.62 0.00 0.00 176.95 171.21 2w3j s LEU 3 N 0.35 3.78 -0.30 5.86 2.96 -1.26 -1.24 118.68 128.83 2w3j s LEU 3 Ca -0.02 -0.25 -0.11 0.00 -0.22 0.00 0.00 54.13 53.52 2w3j s LEU 3 Cb -0.04 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 2w3j s LEU 3 CO -0.01 -0.09 0.20 -0.36 -1.32 0.00 0.00 176.35 174.77 2w3j s PHE 4 N 1.65 3.22 0.15 5.38 0.08 0.89 -4.99 117.98 124.35 2w3j s PHE 4 Ca 0.06 -0.00 0.05 0.00 0.12 0.00 0.00 56.93 57.16 2w3j s PHE 4 Cb -0.16 -2.41 -0.04 0.00 -0.57 0.00 0.00 43.02 39.84 2w3j s PHE 4 CO 0.06 -0.23 0.07 -1.21 -0.10 0.00 0.00 175.22 173.81 2w3j s GLU 5 N 1.74 2.69 0.58 0.44 0.41 -1.26 -2.24 118.70 121.06 2w3j s GLU 5 Ca 0.07 -0.92 -0.21 0.00 -0.41 0.00 0.00 54.97 53.50 2w3j s GLU 5 Cb -0.16 -2.55 -0.04 0.00 -1.78 0.00 0.00 34.13 29.60 2w3j s GLU 5 CO 0.11 0.49 1.32 -0.85 -0.49 0.00 0.00 175.26 175.84 2w3j n GLU 6 N -0.05 1.49 -1.38 1.61 0.00 -1.26 -2.44 120.64 118.61 2w3j n GLU 6 Ca -0.09 0.56 -0.13 0.00 0.00 0.00 0.00 57.16 57.49 2w3j n GLU 6 Cb 0.54 -2.54 -0.06 0.00 0.00 0.00 0.00 31.44 29.39 2w3j n GLU 6 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2w3j n SER 7 N -1.21 -5.34 -4.63 -1.84 3.41 -1.26 -4.78 113.62 97.97 2w3j n SER 7 Ca 0.12 0.33 -0.24 0.00 -0.26 0.00 0.00 58.87 58.82 2w3j n SER 7 Cb 0.46 -4.00 -0.08 0.00 -0.26 0.00 0.00 64.21 60.33 2w3j n SER 7 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2w3j s ALA 8 N -2.24 3.18 0.42 7.33 0.00 -1.02 -5.05 121.76 124.39 2w3j s ALA 8 Ca 0.00 -1.82 -0.25 0.00 0.00 0.00 0.00 51.96 49.89 2w3j s ALA 8 Cb 0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 23.12 22.46 2w3j s ALA 8 CO 0.00 0.16 1.26 1.55 0.00 0.00 0.00 175.76 178.73 2w3j n VAL 9 N -0.93 2.56 0.00 0.00 3.14 -1.26 -1.70 118.33 120.14 2w3j n VAL 9 Ca -0.05 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.83 2w3j n VAL 9 Cb 0.61 -1.54 0.00 0.00 -1.06 0.00 0.00 33.84 31.84 2w3j n VAL 9 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2w3j n GLY 10 N 0.83 2.44 3.64 7.55 0.00 -1.25 -4.84 105.19 113.56 2w3j n GLY 10 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 2w3j n GLY 10 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2w3j s PHE 11 N -2.67 3.31 -0.23 1.61 5.36 -0.69 -0.44 117.98 124.23 2w3j s PHE 11 Ca 0.00 0.36 -0.15 0.00 -0.96 0.00 0.00 56.93 56.18 2w3j s PHE 11 Cb 0.00 -2.41 -0.09 0.00 -0.34 0.00 0.00 43.02 40.17 2w3j s PHE 11 CO 0.00 -0.04 -0.34 0.00 -1.46 0.00 0.00 175.22 173.38 2w3j s SER 13 N -6.85 -0.48 -0.09 0.00 1.04 -1.11 -4.99 113.70 101.23 2w3j s SER 13 Ca -0.34 -0.07 -0.19 0.00 0.48 0.00 0.00 55.95 55.83 2w3j s SER 13 Cb 0.10 0.55 0.04 0.00 0.10 0.00 0.00 66.02 66.82 2w3j s SER 13 CO 0.45 -0.91 0.45 0.54 0.98 0.00 0.00 173.24 174.75 2w3j s ASN 14 N -2.70 -0.41 0.69 7.02 4.22 -1.26 -1.23 114.94 121.27 2w3j s ASN 14 Ca 0.03 0.57 -0.16 0.00 -2.14 0.00 0.00 52.86 51.17 2w3j s ASN 14 Cb -0.01 0.63 0.02 0.00 1.28 0.00 0.00 41.25 43.16 2w3j s ASN 14 CO -0.10 -0.36 1.19 -0.55 -2.04 0.00 0.00 177.10 175.24 2w3j s SER 15 N -0.64 4.54 0.16 3.54 0.15 0.31 -4.84 113.70 116.92 2w3j s SER 15 Ca -0.07 2.29 0.00 0.00 0.70 0.00 0.00 55.95 58.87 2w3j s SER 15 Cb -0.03 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 2w3j s SER 15 CO 0.04 -2.03 0.00 0.61 1.20 0.00 0.00 173.24 173.06 2w3j n GLY 16 N 0.24 0.72 3.30 9.45 0.00 -1.26 -4.30 105.19 113.34 2w3j n GLY 16 Ca 0.13 -0.85 -0.16 0.00 0.00 0.00 0.00 46.02 45.14 2w3j n GLY 16 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2w3j s VAL 17 N 0.00 0.62 -0.09 1.61 -7.23 -0.31 -4.90 120.40 110.10 2w3j s VAL 17 Ca 0.00 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.11 2w3j s VAL 17 Cb 0.00 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 2w3j s VAL 17 CO 0.00 -0.13 0.15 -0.63 -0.31 0.00 0.00 175.10 174.18 2w3j s ILE 18 N -3.71 5.49 0.24 -0.62 1.01 -1.26 -0.43 121.20 121.92 2w3j s ILE 18 Ca 0.34 0.13 -0.09 0.00 0.00 0.00 0.00 60.65 61.03 2w3j s ILE 18 Cb 0.07 -3.44 -0.01 0.00 0.01 0.00 0.00 42.46 39.09 2w3j s ILE 18 CO 0.11 0.55 0.38 -0.62 0.00 0.00 0.00 174.94 175.36 2w3j s ASP 19 N -1.25 0.06 0.00 3.58 -1.08 -0.10 -4.92 116.67 112.96 2w3j s ASP 19 Ca 0.18 -1.10 0.00 0.00 -0.52 0.00 0.00 52.55 51.11 2w3j s ASP 19 Cb -0.12 0.53 0.00 0.00 -1.46 0.00 0.00 42.92 41.87 2w3j s ASP 19 CO 0.08 -1.07 0.97 -0.46 0.52 0.00 0.00 175.17 175.21 2w3j n ASN 20 N -0.43 0.00 0.00 -0.34 0.23 -1.26 -0.78 115.26 112.68 2w3j n ASN 20 Ca -0.00 -1.94 -0.03 0.00 -0.53 0.00 0.00 54.58 52.08 2w3j n ASN 20 Cb 0.63 -0.19 0.23 0.00 -2.08 0.00 0.00 39.78 38.37 2w3j n ASN 20 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 2w3j h LYS 21 N 0.00 0.51 -5.16 -3.83 2.10 -1.97 -3.38 116.57 104.85 2w3j h LYS 21 Ca 0.00 -0.16 -0.63 0.00 -2.00 0.00 0.00 60.65 57.85 2w3j h LYS 21 Cb 1.37 -0.05 -0.15 0.00 -0.90 0.00 0.00 32.23 32.51 2w3j h LYS 21 CO 0.00 0.66 -0.19 -1.01 -2.00 0.00 0.00 179.45 176.92 2w3j s HIS 22 N -4.66 3.23 0.79 0.07 3.76 -1.26 -5.07 115.29 112.15 2w3j s HIS 22 Ca -0.07 0.33 -0.13 0.00 -0.15 0.00 0.00 55.06 55.04 2w3j s HIS 22 Cb 0.14 -2.67 0.07 0.00 1.11 0.00 0.00 32.58 31.24 2w3j s HIS 22 CO 0.78 -0.32 1.20 0.00 -0.85 0.00 0.00 174.74 175.55 2w3j s ALA 23 N 2.15 1.92 0.00 -1.40 0.00 -1.26 -4.19 121.76 118.97 2w3j s ALA 23 Ca 0.16 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.93 2w3j s ALA 23 Cb -0.16 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.49 2w3j s ALA 23 CO 0.11 -2.17 0.00 0.41 0.00 0.00 0.00 175.76 174.11 2w3j n GLY 24 N 0.37 0.80 3.66 0.00 0.00 -1.26 -4.84 105.19 103.91 2w3j n GLY 24 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 2w3j n GLY 24 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2w3j s TYR 25 N -2.00 2.03 0.36 1.61 -0.85 -1.26 -4.98 117.35 112.25 2w3j s TYR 25 Ca 0.00 1.11 0.08 0.00 -0.52 0.00 0.00 57.07 57.74 2w3j s TYR 25 Cb 0.00 -3.21 -0.04 0.00 0.38 0.00 0.00 41.96 39.09 2w3j s TYR 25 CO 0.00 -2.92 0.18 0.95 -1.52 0.00 0.00 175.55 172.24 2w3j s THR 26 N -2.87 2.94 0.00 -3.49 -4.23 -1.26 -4.94 115.64 101.78 2w3j s THR 26 Ca 0.65 -1.64 0.00 0.00 -1.18 0.00 0.00 61.69 59.53 2w3j s THR 26 Cb -0.19 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.64 2w3j s THR 26 CO 0.58 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 175.13 2w3j n GLY 27 N -1.22 1.33 0.08 3.99 0.00 -1.26 -3.40 105.19 104.72 2w3j n GLY 27 Ca -0.02 -0.62 0.12 0.00 0.00 0.00 0.00 46.02 45.50 2w3j n GLY 27 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2w3j n THR 28 N 0.00 0.42 0.00 2.61 -2.24 -1.26 -5.04 114.28 108.77 2w3j n THR 28 Ca 0.00 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2w3j n THR 28 Cb 0.00 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 2w3j n THR 28 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2w3j n GLY 29 N 1.33 -0.56 3.68 3.38 0.00 -1.22 -4.71 105.19 107.10 2w3j n GLY 29 Ca 0.04 -0.56 -0.08 0.00 0.00 0.00 0.00 46.02 45.41 2w3j n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2w3j s PHE 30 N -4.00 0.06 -0.11 1.61 -0.12 0.04 -4.51 117.98 110.96 2w3j s PHE 30 Ca 0.00 -0.46 -0.22 0.00 -0.05 0.00 0.00 56.93 56.20 2w3j s PHE 30 Cb 0.00 0.43 -0.04 0.00 -0.63 0.00 0.00 43.02 42.78 2w3j s PHE 30 CO 0.00 -1.08 0.63 0.42 -0.05 0.00 0.00 175.22 175.14 2w3j s ILE 31 N -3.95 5.08 -0.36 -4.49 -1.09 -0.21 -0.93 121.20 115.24 2w3j s ILE 31 Ca 0.16 1.27 0.02 0.00 -2.23 0.00 0.00 60.65 59.87 2w3j s ILE 31 Cb -0.03 -3.97 0.10 0.00 -1.58 0.00 0.00 42.46 36.99 2w3j s ILE 31 CO 0.06 0.24 0.09 -0.62 -1.23 0.00 0.00 174.94 173.48 2w3j s ASP 32 N 0.83 4.88 0.71 3.58 -1.08 0.43 -1.81 116.67 124.21 2w3j s ASP 32 Ca 0.33 -2.14 -0.11 0.00 -0.52 0.00 0.00 52.55 50.11 2w3j s ASP 32 Cb -0.17 -1.68 0.02 0.00 -1.46 0.00 0.00 42.92 39.63 2w3j s ASP 32 CO 0.14 -0.42 1.07 0.42 0.52 0.00 0.00 175.17 176.91 2w3j s THR 33 N 0.94 3.78 0.84 1.71 -4.23 -1.26 -1.16 115.64 116.26 2w3j s THR 33 Ca 0.10 0.58 -0.14 0.00 -1.18 0.00 0.00 61.69 61.05 2w3j s THR 33 Cb -0.20 -3.44 0.02 0.00 1.34 0.00 0.00 72.50 70.23 2w3j s THR 33 CO -0.07 -0.75 0.64 -1.84 -0.54 0.00 0.00 174.62 172.06 2w3j n GLU 34 N -3.10 0.00 -2.86 3.99 0.28 -1.26 -4.84 120.64 112.85 2w3j n GLU 34 Ca 0.07 0.06 -0.43 0.00 -0.16 0.00 0.00 57.16 56.69 2w3j n GLU 34 Cb 0.55 -1.99 -0.02 0.00 1.43 0.00 0.00 31.44 31.42 2w3j n GLU 34 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 2w3j s ASN 35 N -1.88 6.75 -0.11 -1.84 0.01 -1.26 -4.22 114.94 112.39 2w3j s ASN 35 Ca 0.64 -2.27 -0.18 0.00 -0.71 0.00 0.00 52.86 50.34 2w3j s ASN 35 Cb -0.27 -2.43 0.04 0.00 0.41 0.00 0.00 41.25 38.99 2w3j s ASN 35 CO 0.60 -1.04 0.45 0.00 -1.51 0.00 0.00 177.10 175.60 2w3j s ALA 36 N 2.76 -1.12 0.32 0.60 0.00 -1.17 -4.70 121.76 118.45 2w3j s ALA 36 Ca 0.39 1.01 -0.29 0.00 0.00 0.00 0.00 51.96 53.07 2w3j s ALA 36 Cb -0.03 -0.41 -0.12 0.00 0.00 0.00 0.00 23.12 22.56 2w3j s ALA 36 CO -0.06 -0.25 1.49 0.28 0.00 0.00 0.00 175.76 177.22 2w3j n VAL 37 N 2.11 1.43 -0.27 0.00 0.31 -1.16 -2.33 118.33 118.41 2w3j n VAL 37 Ca -0.17 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 2w3j n VAL 37 Cb 0.57 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 2w3j n VAL 37 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2w3j n GLY 38 N 1.48 1.61 3.66 2.92 0.00 0.46 -4.96 105.19 110.36 2w3j n GLY 38 Ca 0.06 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.63 2w3j n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w3j n ALA 39 N -0.33 0.87 -2.16 4.61 0.00 -0.99 -4.48 120.51 118.04 2w3j n ALA 39 Ca 0.00 0.41 -0.10 0.00 0.00 0.00 0.00 53.44 53.75 2w3j n ALA 39 Cb 0.00 -2.24 -0.10 0.00 0.00 0.00 0.00 19.45 17.11 2w3j n ALA 39 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2w3j s SER 40 N 0.20 0.68 0.00 0.00 0.01 -1.26 -0.20 113.70 113.13 2w3j s SER 40 Ca 0.68 -1.13 0.02 0.00 1.31 0.00 0.00 55.95 56.83 2w3j s SER 40 Cb -0.67 0.21 -0.01 0.00 0.21 0.00 0.00 66.02 65.76 2w3j s SER 40 CO 0.51 -0.63 -0.08 -0.63 0.41 0.00 0.00 173.24 172.82 2w3j s ILE 41 N -3.87 0.61 -0.04 1.44 1.01 -0.64 -0.53 121.20 119.18 2w3j s ILE 41 Ca 0.19 -0.45 0.04 0.00 0.00 0.00 0.00 60.65 60.42 2w3j s ILE 41 Cb 0.07 -0.53 -0.00 0.00 0.01 0.00 0.00 42.46 42.00 2w3j s ILE 41 CO -0.01 0.09 -0.15 -0.69 0.00 0.00 0.00 174.94 174.17 2w3j s VAL 42 N -0.36 1.27 0.25 2.92 1.01 -0.37 -1.04 120.40 124.08 2w3j s VAL 42 Ca 0.01 -0.62 0.08 0.00 0.00 0.00 0.00 61.98 61.45 2w3j s VAL 42 Cb -0.04 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 2w3j s VAL 42 CO -0.00 0.37 -0.11 0.26 0.00 0.00 0.00 175.10 175.62 2w3j s TRP 43 N 0.10 1.90 -0.04 5.22 0.51 0.10 -0.62 118.94 126.11 2w3j s TRP 43 Ca -0.04 -0.61 0.01 0.00 -2.12 0.00 0.00 56.10 53.34 2w3j s TRP 43 Cb -0.11 -0.98 0.02 0.00 -0.81 0.00 0.00 33.47 31.59 2w3j s TRP 43 CO 0.02 0.36 -0.03 0.45 -0.51 0.00 0.00 176.95 177.24 2w3j s SER 44 N -3.40 0.79 0.11 2.95 0.15 0.42 -2.00 113.70 112.73 2w3j s SER 44 Ca 0.27 -0.10 -0.01 0.00 0.70 0.00 0.00 55.95 56.81 2w3j s SER 44 Cb 0.01 -0.38 -0.04 0.00 -1.71 0.00 0.00 66.02 63.90 2w3j s SER 44 CO 0.10 -0.07 0.03 -1.48 1.20 0.00 0.00 173.24 173.03 2w3j s LEU 45 N 0.94 1.94 -0.04 3.45 2.34 -0.67 -1.73 118.68 124.91 2w3j s LEU 45 Ca -0.11 -1.16 0.05 0.00 0.06 0.00 0.00 54.13 52.97 2w3j s LEU 45 Cb -0.14 0.26 -0.02 0.00 -0.56 0.00 0.00 46.19 45.73 2w3j s LEU 45 CO -0.00 -0.69 -0.18 -0.55 -1.06 0.00 0.00 176.35 173.87 2w3j s SER 46 N -3.02 3.76 -0.04 1.48 0.15 0.45 0.17 113.70 116.66 2w3j s SER 46 Ca 0.20 -0.28 0.07 0.00 0.70 0.00 0.00 55.95 56.64 2w3j s SER 46 Cb 0.08 -0.70 -0.02 0.00 -1.71 0.00 0.00 66.02 63.67 2w3j s SER 46 CO -0.01 0.33 -0.25 0.00 1.20 0.00 0.00 173.24 174.51 2w3j s ALA 47 N -0.71 2.18 0.26 5.45 0.00 -0.66 -1.80 121.76 126.47 2w3j s ALA 47 Ca 0.11 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 51.02 2w3j s ALA 47 Cb -0.10 -0.61 0.32 0.00 0.00 0.00 0.00 23.12 22.73 2w3j s ALA 47 CO 0.00 0.49 1.62 0.00 0.00 0.00 0.00 175.76 177.88 2w3j h ALA 48 N 5.70 0.95 -2.34 0.00 0.00 -1.61 -0.33 119.26 121.62 2w3j h ALA 48 Ca -0.39 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 53.95 2w3j h ALA 48 Cb 1.14 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.69 2w3j h ALA 48 CO 0.47 0.65 -0.57 -1.54 0.00 0.00 0.00 179.25 178.26 2w3j s SER 49 N -6.88 0.36 -0.24 0.00 1.04 -1.26 -4.74 113.70 101.98 2w3j s SER 49 Ca -0.05 -0.87 -0.27 0.00 0.48 0.00 0.00 55.95 55.24 2w3j s SER 49 Cb 0.13 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.49 2w3j s SER 49 CO 0.79 -0.64 0.95 0.00 0.98 0.00 0.00 173.24 175.33 2w3j s ALA 50 N -3.84 3.67 0.06 5.32 0.00 -1.26 -4.35 121.76 121.36 2w3j s ALA 50 Ca 0.06 0.04 -0.09 0.00 0.00 0.00 0.00 51.96 51.97 2w3j s ALA 50 Cb 0.07 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 19.77 2w3j s ALA 50 CO -0.10 -1.01 0.43 0.36 0.00 0.00 0.00 175.76 175.44 2w3j n LYS 51 N 6.21 0.22 -3.26 0.00 2.85 -0.95 -4.95 118.16 118.29 2w3j n LYS 51 Ca 0.09 -0.54 -0.39 0.00 -1.05 0.00 0.00 58.31 56.43 2w3j n LYS 51 Cb 0.47 0.75 -0.06 0.00 -0.65 0.00 0.00 35.03 35.54 2w3j n LYS 51 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2w3j s THR 52 N -2.32 4.95 0.14 0.58 2.01 -1.26 -1.43 115.64 118.31 2w3j s THR 52 Ca 0.10 1.16 0.10 0.00 0.31 0.00 0.00 61.69 63.35 2w3j s THR 52 Cb -0.01 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 2w3j s THR 52 CO 0.02 0.43 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.84 2w3j s TYR 53 N -0.24 2.05 -0.18 4.92 2.02 0.05 -4.94 117.35 121.04 2w3j s TYR 53 Ca 0.29 -0.40 -0.19 0.00 -0.37 0.00 0.00 57.07 56.41 2w3j s TYR 53 Cb -0.18 -1.08 -0.03 0.00 -0.40 0.00 0.00 41.96 40.27 2w3j s TYR 53 CO 0.16 0.32 0.52 0.99 -1.57 0.00 0.00 175.55 175.97 2w3j s THR 54 N -1.37 5.12 0.02 -0.71 2.01 -1.26 -0.11 115.64 119.34 2w3j s THR 54 Ca 0.13 0.97 0.01 0.00 0.31 0.00 0.00 61.69 63.11 2w3j s THR 54 Cb -0.09 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 2w3j s THR 54 CO 0.06 0.21 0.05 0.00 -0.69 0.00 0.00 174.62 174.25 2w3j s ALA 55 N 1.39 3.46 -0.10 7.40 0.00 0.57 -1.02 121.76 133.46 2w3j s ALA 55 Ca 0.25 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.29 2w3j s ALA 55 Cb -0.15 -1.45 0.01 0.00 0.00 0.00 0.00 23.12 21.53 2w3j s ALA 55 CO 0.10 0.69 -0.17 -1.14 0.00 0.00 0.00 175.76 175.24 2w3j s GLN 56 N -1.84 2.32 -0.21 0.00 0.74 0.16 -0.76 119.66 120.07 2w3j s GLN 56 Ca 0.23 -0.61 -0.08 0.00 0.05 0.00 0.00 55.36 54.96 2w3j s GLN 56 Cb -0.12 -1.91 -0.04 0.00 1.10 0.00 0.00 33.01 32.04 2w3j s GLN 56 CO 0.15 -0.01 0.07 0.42 -0.55 0.00 0.00 175.29 175.37 2w3j s ILE 57 N 0.83 4.65 -0.16 -2.34 1.01 -0.11 -0.52 121.20 124.56 2w3j s ILE 57 Ca -0.10 -0.07 -0.07 0.00 0.00 0.00 0.00 60.65 60.41 2w3j s ILE 57 Cb -0.16 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 2w3j s ILE 57 CO 0.01 0.41 0.08 -0.60 0.00 0.00 0.00 174.94 174.84 2w3j s ARG 58 N 0.84 3.81 0.11 2.79 3.52 -0.60 -1.42 118.95 128.01 2w3j s ARG 58 Ca 0.04 -0.29 -0.12 0.00 -0.13 0.00 0.00 55.73 55.23 2w3j s ARG 58 Cb -0.14 -3.20 0.02 0.00 -1.56 0.00 0.00 34.95 30.07 2w3j s ARG 58 CO 0.02 0.42 0.30 -0.59 -0.81 0.00 0.00 175.30 174.65 2w3j s PHE 59 N -0.04 -0.01 -0.09 5.12 -0.12 0.07 -0.71 117.98 122.19 2w3j s PHE 59 Ca 0.07 -0.36 0.03 0.00 -0.05 0.00 0.00 56.93 56.63 2w3j s PHE 59 Cb -0.12 0.10 -0.01 0.00 -0.63 0.00 0.00 43.02 42.36 2w3j s PHE 59 CO 0.01 -0.63 -0.20 0.20 -0.05 0.00 0.00 175.22 174.55 2w3j s GLY 60 N -2.84 1.41 -0.28 1.99 0.00 0.47 0.06 107.32 108.13 2w3j s GLY 60 Ca 0.04 -0.96 0.02 0.00 0.00 0.00 0.00 44.72 43.82 2w3j s GLY 60 CO -0.11 -0.41 0.45 0.21 0.00 0.00 0.00 173.10 173.24 2w3j s ASN 61 N 0.11 -0.08 -0.15 1.64 2.47 -1.26 -1.00 114.94 116.67 2w3j s ASN 61 Ca -0.09 -0.11 0.17 0.00 0.42 0.00 0.00 52.86 53.25 2w3j s ASN 61 Cb -0.16 1.33 0.41 0.00 -1.45 0.00 0.00 41.25 41.38 2w3j s ASN 61 CO 0.06 -0.33 1.29 0.61 -3.72 0.00 0.00 177.10 175.01 2w3j n GLY 62 N 5.37 4.35 0.68 1.21 0.00 -1.26 -1.34 105.19 114.20 2w3j n GLY 62 Ca 0.01 -1.04 -0.05 0.00 0.00 0.00 0.00 46.02 44.93 2w3j n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2w3j n GLY 63 N -0.89 -1.37 0.05 -0.02 0.00 -1.26 -4.05 105.19 97.65 2w3j n GLY 63 Ca 0.18 -1.65 0.13 0.00 0.00 0.00 0.00 46.02 44.69 2w3j n GLY 63 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2w3j n THR 64 N -2.41 0.28 -4.00 2.61 -2.24 -1.26 -4.59 114.28 102.67 2w3j n THR 64 Ca 0.03 -0.14 -0.10 0.00 -2.27 0.00 0.00 64.05 61.57 2w3j n THR 64 Cb 0.10 -0.48 -0.04 0.00 -2.10 0.00 0.00 70.33 67.81 2w3j n THR 64 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2w3j s SER 65 N -3.74 0.11 0.76 3.42 1.04 -1.26 -5.02 113.70 109.00 2w3j s SER 65 Ca 0.12 -1.05 -0.14 0.00 0.48 0.00 0.00 55.95 55.36 2w3j s SER 65 Cb 0.16 0.62 0.05 0.00 0.10 0.00 0.00 66.02 66.95 2w3j s SER 65 CO 0.58 -1.21 1.19 0.00 0.98 0.00 0.00 173.24 174.77 2w3j s ALA 66 N -3.70 2.04 -0.64 5.32 0.00 -1.26 -4.20 121.76 119.33 2w3j s ALA 66 Ca 0.23 0.78 0.06 0.00 0.00 0.00 0.00 51.96 53.03 2w3j s ALA 66 Cb -0.01 -3.45 0.21 0.00 0.00 0.00 0.00 23.12 19.87 2w3j s ALA 66 CO 0.11 -1.98 0.60 0.54 0.00 0.00 0.00 175.76 175.03 2w3j n ARG 67 N -2.98 1.96 -1.66 0.00 1.74 -0.61 -4.94 116.66 110.16 2w3j n ARG 67 Ca 0.13 -4.40 -0.43 0.00 -0.77 0.00 0.00 57.85 52.37 2w3j n ARG 67 Cb 0.51 -2.16 -0.01 0.00 -1.02 0.00 0.00 32.46 29.77 2w3j n ARG 67 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2w3j n ARG 68 N 1.49 1.88 -3.72 5.56 1.74 -1.10 -4.49 116.66 118.04 2w3j n ARG 68 Ca 0.25 0.66 -0.13 0.00 -0.77 0.00 0.00 57.85 57.86 2w3j n ARG 68 Cb 0.40 -2.18 -0.08 0.00 -1.02 0.00 0.00 32.46 29.58 2w3j n ARG 68 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2w3j s ALA 69 N -1.06 -0.89 -0.09 7.54 0.00 -0.66 -1.12 121.76 125.48 2w3j s ALA 69 Ca 0.57 0.33 -0.02 0.00 0.00 0.00 0.00 51.96 52.83 2w3j s ALA 69 Cb -0.61 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 2w3j s ALA 69 CO 0.61 -0.35 -0.00 0.95 0.00 0.00 0.00 175.76 176.97 2w3j s THR 70 N -1.88 4.26 -0.24 0.00 -4.23 0.11 -0.90 115.64 112.77 2w3j s THR 70 Ca -0.09 -0.26 -0.21 0.00 -1.18 0.00 0.00 61.69 59.94 2w3j s THR 70 Cb -0.03 -2.80 -0.02 0.00 1.34 0.00 0.00 72.50 71.00 2w3j s THR 70 CO 0.01 0.59 0.65 -0.69 -0.54 0.00 0.00 174.62 174.64 2w3j s VAL 71 N -0.72 4.98 -0.16 2.29 1.01 0.26 -1.31 120.40 126.76 2w3j s VAL 71 Ca 0.11 1.19 -0.02 0.00 0.00 0.00 0.00 61.98 63.26 2w3j s VAL 71 Cb -0.12 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 2w3j s VAL 71 CO 0.02 0.04 -0.08 -0.69 0.00 0.00 0.00 175.10 174.39 2w3j s VAL 72 N 2.38 3.42 -0.11 2.92 1.01 0.58 -0.10 120.40 130.50 2w3j s VAL 72 Ca 0.28 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.75 2w3j s VAL 72 Cb -0.16 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 33.75 2w3j s VAL 72 CO 0.09 0.49 -0.13 -0.69 0.00 0.00 0.00 175.10 174.86 2w3j s VAL 73 N 0.60 1.36 -1.45 2.92 1.01 0.68 -0.43 120.40 125.10 2w3j s VAL 73 Ca -0.05 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 2w3j s VAL 73 Cb -0.15 -1.27 0.05 0.00 0.00 0.00 0.00 36.38 35.01 2w3j s VAL 73 CO 0.03 0.42 0.88 0.59 0.00 0.00 0.00 175.10 177.01 2w3j n ASN 74 N 4.42 -3.46 0.00 3.32 5.03 -0.07 -1.72 115.26 122.78 2w3j n ASN 74 Ca -0.18 -0.79 0.00 0.00 0.87 0.00 0.00 54.58 54.48 2w3j n ASN 74 Cb 0.51 -3.97 0.00 0.00 -1.02 0.00 0.00 39.78 35.30 2w3j n ASN 74 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2w3j n ASP 75 N -2.92 -3.18 -4.36 6.41 -0.08 -1.26 -5.01 116.55 106.15 2w3j n ASP 75 Ca -0.09 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 52.87 2w3j n ASP 75 Cb 0.58 -1.27 -0.15 0.00 2.34 0.00 0.00 41.12 42.63 2w3j n ASP 75 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2w3j s SER 76 N -2.13 3.67 -0.04 1.67 0.01 -0.70 -5.09 113.70 111.09 2w3j s SER 76 Ca 0.00 -0.36 -0.30 0.00 1.31 0.00 0.00 55.95 56.60 2w3j s SER 76 Cb 0.00 -1.16 -0.05 0.00 0.21 0.00 0.00 66.02 65.02 2w3j s SER 76 CO 0.00 0.24 1.50 -1.10 0.41 0.00 0.00 173.24 174.29 2w3j s GLN 77 N -0.10 4.23 -0.27 12.44 -0.21 -1.26 -0.23 119.66 134.25 2w3j s GLN 77 Ca -0.03 2.04 -0.14 0.00 0.02 0.00 0.00 55.36 57.25 2w3j s GLN 77 Cb -0.14 -3.77 -0.13 0.00 1.00 0.00 0.00 33.01 29.97 2w3j s GLN 77 CO 0.04 -0.72 -0.31 -0.89 -2.12 0.00 0.00 175.29 171.29 2w3j n ILE 78 N 5.11 1.53 -3.55 1.08 2.08 0.86 -4.94 119.36 121.52 2w3j n ILE 78 Ca 0.15 -0.38 -0.14 0.00 0.56 0.00 0.00 62.75 62.95 2w3j n ILE 78 Cb 0.43 -1.86 -0.06 0.00 -0.75 0.00 0.00 39.64 37.40 2w3j n ILE 78 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 2w3j s LYS 79 N -2.50 0.80 -0.20 0.38 2.20 -1.18 -5.01 119.74 114.23 2w3j s LYS 79 Ca -0.38 0.20 -0.08 0.00 -0.36 0.00 0.00 55.97 55.35 2w3j s LYS 79 Cb 0.14 0.38 -0.04 0.00 -1.51 0.00 0.00 37.83 36.80 2w3j s LYS 79 CO 0.51 -0.25 0.09 0.99 -0.36 0.00 0.00 175.35 176.32 2w3j s THR 80 N -1.13 4.94 0.09 3.43 2.01 -1.26 -0.58 115.64 123.15 2w3j s THR 80 Ca -0.06 0.02 0.05 0.00 0.31 0.00 0.00 61.69 62.01 2w3j s THR 80 Cb -0.00 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 2w3j s THR 80 CO 0.05 0.43 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.66 2w3j s LEU 81 N 0.54 3.46 -0.02 4.42 1.43 -0.08 -4.96 118.68 123.48 2w3j s LEU 81 Ca 0.05 -0.18 -0.20 0.00 -1.03 0.00 0.00 54.13 52.76 2w3j s LEU 81 Cb -0.12 -2.19 -0.31 0.00 0.03 0.00 0.00 46.19 43.59 2w3j s LEU 81 CO 0.01 0.17 0.96 -0.78 0.23 0.00 0.00 176.35 176.93 2w3j h ASP 82 N 3.41 0.58 -6.00 2.29 3.58 -1.89 -1.75 116.42 116.64 2w3j h ASP 82 Ca -0.48 -0.91 -0.32 0.00 0.42 0.00 0.00 57.03 55.74 2w3j h ASP 82 Cb 1.17 -0.19 0.07 0.00 1.72 0.00 0.00 39.33 42.10 2w3j h ASP 82 CO 0.60 1.44 -0.75 0.49 -2.88 0.00 0.00 179.24 178.15 2w3j n PHE 83 N -4.04 -2.25 -1.45 0.28 3.72 -1.26 -2.34 117.46 110.12 2w3j n PHE 83 Ca -0.14 0.71 -0.33 0.00 -0.05 0.00 0.00 57.45 57.65 2w3j n PHE 83 Cb 0.87 -3.59 0.08 0.00 -0.94 0.00 0.00 39.48 35.90 2w3j n PHE 83 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2w3j s PRO 84 N -4.95 2.28 0.27 -1.08 0.04 -1.26 -1.57 135.00 128.73 2w3j s PRO 84 Ca 0.30 1.51 -0.21 0.00 0.04 0.00 0.00 61.00 62.65 2w3j s PRO 84 Cb -0.09 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.48 2w3j s PRO 84 CO 0.82 -1.68 0.79 -0.08 0.04 0.00 0.00 177.00 176.90 2w3j s THR 85 N -2.32 4.48 -0.37 1.26 -1.32 -1.26 -4.68 115.64 111.43 2w3j s THR 85 Ca 0.69 1.40 0.06 0.00 -1.21 0.00 0.00 61.69 62.63 2w3j s THR 85 Cb -0.23 -3.86 0.15 0.00 -1.51 0.00 0.00 72.50 67.05 2w3j s THR 85 CO 0.47 0.12 1.12 -0.46 -2.21 0.00 0.00 174.62 173.66 2w3j n ASN 86 N 0.50 2.44 -2.02 8.08 0.23 -0.45 -4.98 115.26 119.07 2w3j n ASN 86 Ca -0.00 -2.10 -0.18 0.00 -0.53 0.00 0.00 54.58 51.77 2w3j n ASN 86 Cb 0.51 -0.13 -0.04 0.00 -2.08 0.00 0.00 39.78 38.04 2w3j n ASN 86 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2w3j n SER 87 N -0.16 -4.98 -3.39 0.53 7.64 -1.25 -4.90 113.62 107.10 2w3j n SER 87 Ca 0.06 0.23 -0.18 0.00 1.01 0.00 0.00 58.87 59.99 2w3j n SER 87 Cb 0.36 -4.30 -0.09 0.00 -1.01 0.00 0.00 64.21 59.18 2w3j n SER 87 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2w3j s ASN 88 N -2.25 1.55 0.00 6.43 3.84 -1.26 -4.94 114.94 118.31 2w3j s ASN 88 Ca 0.00 -1.10 0.18 0.00 0.21 0.00 0.00 52.86 52.15 2w3j s ASN 88 Cb 0.00 0.49 0.77 0.00 -0.55 0.00 0.00 41.25 41.97 2w3j s ASN 88 CO 0.00 -0.34 1.58 0.79 -2.79 0.00 0.00 177.10 176.34 2w3j n TRP 89 N 4.89 0.00 0.64 0.43 7.02 -1.26 -1.86 117.44 127.30 2w3j n TRP 89 Ca 0.03 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.64 2w3j n TRP 89 Cb 0.46 -0.50 0.29 0.00 -2.42 0.00 0.00 31.31 29.13 2w3j n TRP 89 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 2w3j n THR 90 N -1.50 0.41 -3.57 -0.99 -2.24 -1.26 -4.65 114.28 100.48 2w3j n THR 90 Ca 0.04 -0.25 -0.41 0.00 -2.27 0.00 0.00 64.05 61.17 2w3j n THR 90 Cb 0.21 -0.30 -0.09 0.00 -2.10 0.00 0.00 70.33 68.06 2w3j n THR 90 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2w3j s GLN 91 N -3.12 2.47 0.65 -0.78 -0.21 -0.78 -4.95 119.66 112.94 2w3j s GLN 91 Ca 0.09 -1.81 -0.14 0.00 0.02 0.00 0.00 55.36 53.51 2w3j s GLN 91 Cb 0.13 -3.91 -0.01 0.00 1.00 0.00 0.00 33.01 30.23 2w3j s GLN 91 CO 0.66 -1.19 1.08 -1.58 -2.12 0.00 0.00 175.29 172.15 2w3j s TRP 92 N 1.27 2.82 0.27 0.91 0.52 -1.26 -4.77 118.94 118.69 2w3j s TRP 92 Ca 0.07 1.52 0.07 0.00 0.02 0.00 0.00 56.10 57.78 2w3j s TRP 92 Cb -0.25 -3.06 -0.06 0.00 -1.15 0.00 0.00 33.47 28.96 2w3j s TRP 92 CO -0.01 -1.43 -0.08 -0.65 0.02 0.00 0.00 176.95 174.80 2w3j s GLN 93 N -4.32 1.53 0.05 4.98 -0.21 0.11 -4.95 119.66 116.85 2w3j s GLN 93 Ca 0.64 -1.75 0.04 0.00 0.02 0.00 0.00 55.36 54.30 2w3j s GLN 93 Cb -0.18 -1.20 -0.03 0.00 1.00 0.00 0.00 33.01 32.61 2w3j s GLN 93 CO 0.43 0.08 -0.11 0.95 -2.12 0.00 0.00 175.29 174.53 2w3j s THR 94 N -2.97 0.81 -0.01 -0.19 -4.23 -1.26 -0.75 115.64 107.04 2w3j s THR 94 Ca 0.28 -1.15 0.01 0.00 -1.18 0.00 0.00 61.69 59.65 2w3j s THR 94 Cb 0.02 -0.82 0.00 0.00 1.34 0.00 0.00 72.50 73.05 2w3j s THR 94 CO 0.11 -0.28 -0.03 0.54 -0.54 0.00 0.00 174.62 174.42 2w3j s VAL 95 N -1.27 0.32 0.00 2.29 0.11 -0.51 -4.97 120.40 116.36 2w3j s VAL 95 Ca -0.06 -0.13 -0.03 0.00 -2.93 0.00 0.00 61.98 58.83 2w3j s VAL 95 Cb -0.10 -0.30 -0.04 0.00 -1.53 0.00 0.00 36.38 34.41 2w3j s VAL 95 CO 0.01 0.11 0.21 0.20 -3.33 0.00 0.00 175.10 172.30 2w3j s ASN 96 N 0.16 6.40 -0.11 3.54 0.01 -1.26 -0.93 114.94 122.75 2w3j s ASN 96 Ca -0.01 0.40 -0.08 0.00 -0.71 0.00 0.00 52.86 52.46 2w3j s ASN 96 Cb -0.05 -2.02 0.04 0.00 0.41 0.00 0.00 41.25 39.63 2w3j s ASN 96 CO -0.00 0.25 0.27 0.54 -1.51 0.00 0.00 177.10 176.65 2w3j s VAL 97 N -1.34 -0.02 -0.00 1.60 0.11 0.06 -4.99 120.40 115.82 2w3j s VAL 97 Ca 0.28 0.07 -0.25 0.00 -2.93 0.00 0.00 61.98 59.15 2w3j s VAL 97 Cb -0.13 -0.40 -0.04 0.00 -1.53 0.00 0.00 36.38 34.28 2w3j s VAL 97 CO 0.19 0.03 0.78 -1.81 -3.33 0.00 0.00 175.10 170.95 2w3j s ASP 98 N 0.74 7.16 -0.03 3.54 1.01 -1.26 -0.32 116.67 127.51 2w3j s ASP 98 Ca -0.05 1.39 0.03 0.00 0.71 0.00 0.00 52.55 54.63 2w3j s ASP 98 Cb -0.06 -2.46 0.00 0.00 1.01 0.00 0.00 42.92 41.41 2w3j s ASP 98 CO -0.05 -0.08 -0.11 0.27 0.21 0.00 0.00 175.17 175.41 2w3j s ILE 99 N 0.43 0.96 -0.17 0.77 -4.36 0.84 -4.95 121.20 114.71 2w3j s ILE 99 Ca 0.40 -0.46 -0.29 0.00 -0.26 0.00 0.00 60.65 60.04 2w3j s ILE 99 Cb -0.20 -0.84 -0.00 0.00 1.25 0.00 0.00 42.46 42.68 2w3j s ILE 99 CO 0.22 0.29 1.02 -2.16 0.24 0.00 0.00 174.94 174.55 2w3j s PRO 100 N 0.13 4.34 0.10 0.37 0.04 -1.26 -0.77 135.00 137.94 2w3j s PRO 100 Ca -0.03 1.37 0.08 0.00 0.04 0.00 0.00 61.00 62.46 2w3j s PRO 100 Cb -0.09 -3.59 -0.04 0.00 0.04 0.00 0.00 34.50 30.82 2w3j s PRO 100 CO 0.01 -0.48 -0.16 -0.51 0.04 0.00 0.00 177.00 175.90 2w3j s LEU 101 N 2.63 2.78 0.32 -3.56 1.43 -0.51 -4.92 118.68 116.84 2w3j s LEU 101 Ca 0.46 -0.48 0.07 0.00 -1.03 0.00 0.00 54.13 53.15 2w3j s LEU 101 Cb -0.17 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 2w3j s LEU 101 CO 0.12 0.20 0.31 -1.59 0.23 0.00 0.00 176.35 175.62 2w3j s LYS 102 N -2.00 2.87 0.29 1.70 -2.85 -1.26 -2.23 119.74 116.27 2w3j s LYS 102 Ca 0.18 -1.17 -0.29 0.00 -1.00 0.00 0.00 55.97 53.69 2w3j s LYS 102 Cb -0.11 -2.58 -0.10 0.00 -2.06 0.00 0.00 37.83 32.98 2w3j s LYS 102 CO 0.10 0.16 1.42 0.00 0.10 0.00 0.00 175.35 177.13 2w3j s ALA 103 N -2.23 3.59 0.00 0.59 0.00 -1.26 -4.30 121.76 118.15 2w3j s ALA 103 Ca 0.40 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.72 2w3j s ALA 103 Cb -0.07 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.50 2w3j s ALA 103 CO 0.27 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.66 2w3j n GLY 104 N 1.57 -0.44 3.75 0.00 0.00 -0.14 -4.91 105.19 105.02 2w3j n GLY 104 Ca 0.04 -1.79 -0.40 0.00 0.00 0.00 0.00 46.02 43.86 2w3j n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2w3j s THR 105 N 0.00 3.98 0.07 2.61 2.01 -1.26 -1.66 115.64 121.39 2w3j s THR 105 Ca 0.00 1.89 0.04 0.00 0.31 0.00 0.00 61.69 63.93 2w3j s THR 105 Cb 0.00 -4.20 -0.03 0.00 0.01 0.00 0.00 72.50 68.28 2w3j s THR 105 CO 0.00 0.41 -0.12 0.20 -0.69 0.00 0.00 174.62 174.41 2w3j s ASN 106 N -0.77 1.46 0.04 3.53 0.01 0.13 -4.90 114.94 114.43 2w3j s ASN 106 Ca 0.44 -0.61 0.04 0.00 -0.71 0.00 0.00 52.86 52.02 2w3j s ASN 106 Cb -0.27 -0.02 -0.04 0.00 0.41 0.00 0.00 41.25 41.33 2w3j s ASN 106 CO 0.34 -0.12 -0.07 -0.94 -1.51 0.00 0.00 177.10 174.80 2w3j s SER 107 N -1.74 4.59 -0.05 -1.22 1.04 -1.26 -1.67 113.70 113.39 2w3j s SER 107 Ca -0.04 -0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.20 2w3j s SER 107 Cb -0.10 -1.02 0.01 0.00 0.10 0.00 0.00 66.02 65.02 2w3j s SER 107 CO 0.02 0.24 -0.10 -0.63 0.98 0.00 0.00 173.24 173.75 2w3j s ILE 108 N -1.08 0.95 0.02 -1.02 1.01 -0.84 -0.90 121.20 119.34 2w3j s ILE 108 Ca 0.19 -0.40 0.04 0.00 0.00 0.00 0.00 60.65 60.48 2w3j s ILE 108 Cb -0.11 -0.87 -0.02 0.00 0.01 0.00 0.00 42.46 41.47 2w3j s ILE 108 CO 0.10 0.31 -0.12 -0.75 0.00 0.00 0.00 174.94 174.48 2w3j s LYS 109 N 0.51 0.88 -0.10 2.79 2.20 0.43 -0.72 119.74 125.72 2w3j s LYS 109 Ca -0.10 -0.61 0.04 0.00 -0.36 0.00 0.00 55.97 54.94 2w3j s LYS 109 Cb -0.13 -0.85 -0.00 0.00 -1.51 0.00 0.00 37.83 35.34 2w3j s LYS 109 CO 0.02 0.22 -0.23 -1.17 -0.36 0.00 0.00 175.35 173.83 2w3j s LEU 110 N -0.81 2.18 -0.09 5.43 2.96 -0.21 -0.30 118.68 127.83 2w3j s LEU 110 Ca 0.02 -0.52 -0.00 0.00 -0.22 0.00 0.00 54.13 53.40 2w3j s LEU 110 Cb -0.06 -1.44 0.02 0.00 0.50 0.00 0.00 46.19 45.21 2w3j s LEU 110 CO 0.01 0.17 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.44 2w3j s VAL 111 N 0.31 0.89 0.25 1.68 1.01 -0.42 -1.61 120.40 122.50 2w3j s VAL 111 Ca -0.17 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.28 2w3j s VAL 111 Cb -0.17 -0.92 -0.10 0.00 0.00 0.00 0.00 36.38 35.19 2w3j s VAL 111 CO 0.08 0.34 1.39 0.00 0.00 0.00 0.00 175.10 176.91 2w3j s ALA 112 N 1.53 3.59 -0.87 5.51 0.00 0.72 -0.71 121.76 131.54 2w3j s ALA 112 Ca 0.01 1.28 0.23 0.00 0.00 0.00 0.00 51.96 53.48 2w3j s ALA 112 Cb -0.13 -3.53 0.15 0.00 0.00 0.00 0.00 23.12 19.61 2w3j s ALA 112 CO -0.05 -0.69 1.15 0.39 0.00 0.00 0.00 175.76 176.55 2w3j n GLU 113 N 2.14 0.10 -4.32 0.00 -0.58 -0.28 -0.41 120.64 117.30 2w3j n GLU 113 Ca 0.06 -0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.62 2w3j n GLU 113 Cb 0.41 -1.53 -0.10 0.00 -0.57 0.00 0.00 31.44 29.65 2w3j n GLU 113 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2w3j s THR 114 N -3.07 0.43 -1.39 2.62 -4.23 -1.26 -4.89 115.64 103.86 2w3j s THR 114 Ca 0.08 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.78 2w3j s THR 114 Cb 0.16 -2.58 0.32 0.00 1.34 0.00 0.00 72.50 71.74 2w3j s THR 114 CO 0.78 0.00 1.60 0.00 -0.54 0.00 0.00 174.62 176.46 2w3j n ALA 115 N -0.49 2.01 1.85 3.99 0.00 -1.26 -1.96 120.51 124.65 2w3j n ALA 115 Ca 0.00 -0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.49 2w3j n ALA 115 Cb 0.66 -1.31 0.73 0.00 0.00 0.00 0.00 19.45 19.52 2w3j n ALA 115 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2w3j n ASP 116 N -1.30 0.39 0.00 0.00 8.00 -1.26 -3.02 116.55 119.36 2w3j n ASP 116 Ca 0.09 -1.25 0.00 0.00 0.71 0.00 0.00 54.79 54.33 2w3j n ASP 116 Cb 0.16 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 2w3j n ASP 116 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2w3j n GLY 117 N 0.99 0.44 3.86 0.44 0.00 -0.83 -4.67 105.19 105.42 2w3j n GLY 117 Ca 0.20 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 44.99 2w3j n GLY 117 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2w3j s LEU 118 N 0.00 3.60 1.04 0.99 1.43 -1.26 -4.73 118.68 119.74 2w3j s LEU 118 Ca 0.00 1.41 -0.13 0.00 -1.03 0.00 0.00 54.13 54.37 2w3j s LEU 118 Cb 0.00 -4.36 0.14 0.00 0.03 0.00 0.00 46.19 42.00 2w3j s LEU 118 CO 0.00 -0.60 0.64 0.00 0.23 0.00 0.00 176.35 176.62 2w3j n ALA 119 N -1.77 -2.61 -2.29 4.21 0.00 -1.26 -4.63 120.51 112.16 2w3j n ALA 119 Ca 0.05 -0.89 -0.42 0.00 0.00 0.00 0.00 53.44 52.18 2w3j n ALA 119 Cb 0.54 -1.88 -0.03 0.00 0.00 0.00 0.00 19.45 18.09 2w3j n ALA 119 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2w3j s ASN 120 N -2.22 6.89 -0.33 0.00 0.01 -0.17 -4.74 114.94 114.37 2w3j s ASN 120 Ca 0.62 1.94 -0.11 0.00 -0.71 0.00 0.00 52.86 54.60 2w3j s ASN 120 Cb -0.20 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 38.91 2w3j s ASN 120 CO 0.64 -0.74 0.18 -0.63 -1.51 0.00 0.00 177.10 175.04 2w3j s ILE 121 N 3.01 4.72 -0.04 0.60 -1.09 -0.75 -0.39 121.20 127.25 2w3j s ILE 121 Ca 0.61 -0.51 -0.22 0.00 -2.23 0.00 0.00 60.65 58.30 2w3j s ILE 121 Cb -0.27 -3.47 -0.28 0.00 -1.58 0.00 0.00 42.46 36.86 2w3j s ILE 121 CO 0.22 -0.03 0.96 -0.78 -1.23 0.00 0.00 174.94 174.08 2w3j h ASP 122 N 8.40 0.42 -4.97 3.58 3.58 -1.23 -0.54 116.42 125.67 2w3j h ASP 122 Ca -0.30 -0.88 0.20 0.00 0.42 0.00 0.00 57.03 56.47 2w3j h ASP 122 Cb 1.14 -0.13 -0.13 0.00 1.72 0.00 0.00 39.33 41.92 2w3j h ASP 122 CO 0.64 1.26 0.61 -0.94 -2.88 0.00 0.00 179.24 177.93 2w3j s SER 123 N -6.77 -0.21 -0.05 2.28 1.04 -1.20 -4.45 113.70 104.35 2w3j s SER 123 Ca -0.14 -0.14 0.04 0.00 0.48 0.00 0.00 55.95 56.19 2w3j s SER 123 Cb 0.01 0.33 -0.00 0.00 0.10 0.00 0.00 66.02 66.46 2w3j s SER 123 CO 0.81 -0.57 -0.17 -0.51 0.98 0.00 0.00 173.24 173.77 2w3j s ILE 124 N -2.91 1.44 -0.18 -1.02 2.07 -0.95 -1.55 121.20 118.10 2w3j s ILE 124 Ca 0.10 -0.71 -0.01 0.00 -1.41 0.00 0.00 60.65 58.62 2w3j s ILE 124 Cb -0.00 -1.24 0.00 0.00 0.13 0.00 0.00 42.46 41.35 2w3j s ILE 124 CO -0.04 0.41 -0.14 -0.60 -1.91 0.00 0.00 174.94 172.67 2w3j s ARG 125 N 0.09 3.21 -0.25 3.50 3.52 0.32 -0.08 118.95 129.25 2w3j s ARG 125 Ca -0.05 -0.73 -0.07 0.00 -0.13 0.00 0.00 55.73 54.75 2w3j s ARG 125 Cb -0.12 -2.71 -0.02 0.00 -1.56 0.00 0.00 34.95 30.54 2w3j s ARG 125 CO 0.03 -0.09 0.06 0.08 -0.81 0.00 0.00 175.30 174.57 2w3j s VAL 126 N 1.09 4.19 0.30 7.11 1.01 -0.38 0.41 120.40 134.13 2w3j s VAL 126 Ca -0.00 -0.26 -0.13 0.00 0.00 0.00 0.00 61.98 61.58 2w3j s VAL 126 Cb -0.14 -2.98 -0.08 0.00 0.00 0.00 0.00 36.38 33.17 2w3j s VAL 126 CO -0.04 0.31 0.68 -0.89 0.00 0.00 0.00 175.10 175.16 2w3j s THR 127 N 1.59 4.76 0.00 3.92 2.01 -0.19 -1.44 115.64 126.29 2w3j s THR 127 Ca 0.06 0.80 0.00 0.00 0.31 0.00 0.00 61.69 62.86 2w3j s THR 127 Cb -0.15 -3.61 0.00 0.00 0.01 0.00 0.00 72.50 68.75 2w3j s THR 127 CO 0.03 -0.15 0.00 0.61 -0.69 0.00 0.00 174.62 174.41 2w3j n GLY 128 N -0.31 3.50 3.81 4.40 0.00 -1.26 -4.23 105.19 111.09 2w3j n GLY 128 Ca 0.03 -1.81 -0.33 0.00 0.00 0.00 0.00 46.02 43.91 2w3j n GLY 128 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2w3j s ASN 129 N 0.00 5.85 -0.59 1.61 0.01 -1.26 -0.76 114.94 119.80 2w3j s ASN 129 Ca 0.00 1.79 0.00 0.00 -0.71 0.00 0.00 52.86 53.94 2w3j s ASN 129 Cb 0.00 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.13 2w3j s ASN 129 CO 0.00 -1.12 0.00 0.61 -1.51 0.00 0.00 177.10 175.08 2w3j n GLY 130 N -1.07 0.57 3.60 0.66 0.00 -1.26 -4.71 105.19 102.98 2w3j n GLY 130 Ca 0.08 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 45.02 2w3j n GLY 130 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2w3j s ILE 131 N -2.25 4.88 0.23 -0.61 -1.09 -1.26 -1.71 121.20 119.39 2w3j s ILE 131 Ca 0.00 0.01 0.01 0.00 -2.23 0.00 0.00 60.65 58.44 2w3j s ILE 131 Cb 0.00 -3.24 -0.05 0.00 -1.58 0.00 0.00 42.46 37.59 2w3j s ILE 131 CO 0.00 0.39 0.08 0.42 -1.23 0.00 0.00 174.94 174.60 2w3j s THR 132 N 0.87 0.51 0.67 2.92 -4.23 -0.75 -4.44 115.64 111.19 2w3j s THR 132 Ca 0.05 -1.99 -0.13 0.00 -1.18 0.00 0.00 61.69 58.44 2w3j s THR 132 Cb -0.13 -2.48 -0.00 0.00 1.34 0.00 0.00 72.50 71.22 2w3j s THR 132 CO 0.03 -0.13 1.07 -2.16 -0.54 0.00 0.00 174.62 172.89 2w3j s PRO 133 N -4.02 2.96 0.23 3.99 0.04 -1.26 -0.41 135.00 136.53 2w3j s PRO 133 Ca 0.34 1.11 0.06 0.00 0.04 0.00 0.00 61.00 62.56 2w3j s PRO 133 Cb 0.07 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 2w3j s PRO 133 CO 0.11 -1.09 -0.08 0.00 0.04 0.00 0.00 177.00 175.98 2w3j s ALA 134 N -2.75 2.04 0.69 8.56 0.00 -0.71 -4.32 121.76 125.28 2w3j s ALA 134 Ca 0.61 -1.76 -0.16 0.00 0.00 0.00 0.00 51.96 50.66 2w3j s ALA 134 Cb -0.16 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.13 2w3j s ALA 134 CO 0.47 -0.07 1.20 0.00 0.00 0.00 0.00 175.76 177.36 2w3j s ALA 135 N -3.11 2.26 0.17 0.00 0.00 -1.26 -3.86 121.76 115.95 2w3j s ALA 135 Ca 0.26 0.87 -0.30 0.00 0.00 0.00 0.00 51.96 52.79 2w3j s ALA 135 Cb 0.03 -3.45 -0.07 0.00 0.00 0.00 0.00 23.12 19.62 2w3j s ALA 135 CO 0.08 -1.65 1.01 0.00 0.00 0.00 0.00 175.76 175.21