#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w2b s GLU 2 N 0.00 4.25 0.01 0.03 2.02 -1.26 -4.91 118.70 118.85 1w2b s GLU 2 Ca 0.00 2.02 -0.39 0.00 0.02 0.00 0.00 54.97 56.62 1w2b s GLU 2 Cb 0.00 -3.66 -0.20 0.00 0.10 0.00 0.00 34.13 30.38 1w2b s GLU 2 CO 0.00 -0.65 1.09 0.00 0.02 0.00 0.00 175.26 175.72 1w2b n ALA 3 N 5.78 -3.34 -0.11 5.21 0.00 -1.26 -4.83 120.51 121.96 1w2b n ALA 3 Ca 0.14 0.59 -0.01 0.00 0.00 0.00 0.00 53.44 54.16 1w2b n ALA 3 Cb 0.43 -1.79 0.25 0.00 0.00 0.00 0.00 19.45 18.34 1w2b n ALA 3 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1w2b h LEU 4 N 3.13 0.71 -0.22 0.00 3.38 -1.90 -3.47 115.31 116.94 1w2b h LEU 4 Ca -0.50 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.39 1w2b h LEU 4 Cb 1.42 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1w2b h LEU 4 CO 0.66 0.64 0.00 0.61 0.09 0.00 0.00 178.44 180.44 1w2b n GLY 5 N -1.10 1.01 0.00 0.83 0.00 -1.26 -4.73 105.19 99.95 1w2b n GLY 5 Ca 0.05 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1w2b n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w2b n ALA 6 N -1.18 0.00 -2.11 4.61 0.00 -1.26 -4.53 120.51 116.04 1w2b n ALA 6 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1w2b n ALA 6 Cb 0.30 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.69 1w2b n ALA 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1w2b s ASP 7 N 0.00 7.20 -0.02 0.00 1.01 -0.95 -4.93 116.67 118.98 1w2b s ASP 7 Ca 0.00 1.46 0.05 0.00 0.71 0.00 0.00 52.55 54.78 1w2b s ASP 7 Cb 0.00 -2.43 -0.01 0.00 1.01 0.00 0.00 42.92 41.48 1w2b s ASP 7 CO 0.00 0.19 -0.18 -0.69 0.21 0.00 0.00 175.17 174.70 1w2b s VAL 8 N -1.23 1.43 -0.48 -1.27 1.01 -1.26 -1.07 120.40 117.54 1w2b s VAL 8 Ca 0.35 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 61.41 1w2b s VAL 8 Cb -0.20 -1.20 0.08 0.00 0.00 0.00 0.00 36.38 35.06 1w2b s VAL 8 CO 0.23 0.41 0.41 -0.89 0.00 0.00 0.00 175.10 175.25 1w2b s THR 9 N -0.37 5.16 -0.50 3.92 2.01 -1.26 -4.99 115.64 119.62 1w2b s THR 9 Ca 0.06 -1.17 -0.44 0.00 0.31 0.00 0.00 61.69 60.44 1w2b s THR 9 Cb -0.08 -4.13 -0.19 0.00 0.01 0.00 0.00 72.50 68.11 1w2b s THR 9 CO -0.00 -0.63 2.09 0.00 -0.69 0.00 0.00 174.62 175.38 1w2b n GLN 10 N 5.19 0.00 0.00 4.92 3.00 -1.26 -4.78 117.38 124.45 1w2b n GLN 10 Ca -0.13 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 56.99 1w2b n GLN 10 Cb 0.43 -1.50 0.30 0.00 0.00 0.00 0.00 30.24 29.46 1w2b n GLN 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1w2b n GLY 11 N 7.16 -0.87 3.46 1.08 0.00 -0.73 -4.81 105.19 110.48 1w2b n GLY 11 Ca 0.53 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1w2b n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1w2b s LEU 12 N -2.72 2.59 0.00 0.99 1.43 0.80 -4.91 118.68 116.87 1w2b s LEU 12 Ca 0.18 -1.14 0.04 0.00 -1.03 0.00 0.00 54.13 52.18 1w2b s LEU 12 Cb 0.18 -0.84 -0.01 0.00 0.03 0.00 0.00 46.19 45.55 1w2b s LEU 12 CO 0.61 -0.20 0.14 -0.62 0.23 0.00 0.00 176.35 176.50 1w2b n GLU 13 N -0.63 0.60 -2.62 1.70 1.02 -1.26 0.27 120.64 119.72 1w2b n GLU 13 Ca -0.06 -3.13 -0.43 0.00 -0.02 0.00 0.00 57.16 53.53 1w2b n GLU 13 Cb 0.62 1.76 -0.02 0.00 -0.02 0.00 0.00 31.44 33.77 1w2b n GLU 13 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1w2b s LYS 14 N -3.40 4.38 0.00 3.49 2.20 0.46 -2.74 119.74 124.14 1w2b s LYS 14 Ca 0.20 1.47 0.00 0.00 -0.36 0.00 0.00 55.97 57.28 1w2b s LYS 14 Cb 0.01 -3.56 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 1w2b s LYS 14 CO 0.14 -0.39 0.00 0.41 -0.36 0.00 0.00 175.35 175.15 1w2b n GLY 15 N 3.20 2.48 3.77 5.54 0.00 -0.13 -4.93 105.19 115.13 1w2b n GLY 15 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1w2b n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1w2b s SER 16 N -1.61 6.35 -0.26 1.61 0.01 -1.11 -4.71 113.70 113.98 1w2b s SER 16 Ca 0.00 2.95 -0.10 0.00 1.31 0.00 0.00 55.95 60.10 1w2b s SER 16 Cb 0.00 -2.66 -0.05 0.00 0.21 0.00 0.00 66.02 63.52 1w2b s SER 16 CO 0.00 -0.86 0.17 -0.76 0.41 0.00 0.00 173.24 172.20 1w2b s LEU 17 N -2.16 4.01 0.30 2.44 1.43 -1.26 -1.61 118.68 121.83 1w2b s LEU 17 Ca 0.53 0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.68 1w2b s LEU 17 Cb -0.44 -2.10 -0.06 0.00 0.03 0.00 0.00 46.19 43.62 1w2b s LEU 17 CO 0.60 -0.00 0.08 0.27 0.23 0.00 0.00 176.35 177.52 1w2b s ILE 18 N 1.46 0.91 0.12 -0.59 -4.36 -0.25 -4.99 121.20 113.50 1w2b s ILE 18 Ca 0.07 -2.00 -0.21 0.00 -0.26 0.00 0.00 60.65 58.25 1w2b s ILE 18 Cb -0.15 -2.73 -0.07 0.00 1.25 0.00 0.00 42.46 40.76 1w2b s ILE 18 CO 0.08 0.00 0.65 -0.89 0.24 0.00 0.00 174.94 175.02 1w2b s THR 19 N -3.49 4.60 -0.76 8.37 2.01 -0.82 -0.92 115.64 124.63 1w2b s THR 19 Ca 0.37 1.38 -0.16 0.00 0.31 0.00 0.00 61.69 63.59 1w2b s THR 19 Cb 0.08 -3.98 0.16 0.00 0.01 0.00 0.00 72.50 68.78 1w2b s THR 19 CO 0.15 0.52 0.79 0.00 -0.69 0.00 0.00 174.62 175.39 1w2b n ALA 21 N 5.23 4.61 -3.83 0.00 0.00 -1.07 -4.79 120.51 120.66 1w2b n ALA 21 Ca 0.07 -3.16 -0.04 0.00 0.00 0.00 0.00 53.44 50.31 1w2b n ALA 21 Cb 0.45 -3.44 0.01 0.00 0.00 0.00 0.00 19.45 16.47 1w2b n ALA 21 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1w2b s ASP 22 N 3.91 -0.06 -0.47 0.00 1.47 -1.26 -2.95 116.67 117.31 1w2b s ASP 22 Ca 0.52 -0.64 0.03 0.00 1.18 0.00 0.00 52.55 53.64 1w2b s ASP 22 Cb 0.14 0.54 0.61 0.00 -0.34 0.00 0.00 42.92 43.87 1w2b s ASP 22 CO 0.02 -1.05 1.89 -0.46 0.68 0.00 0.00 175.17 176.25 1w2b n ASN 23 N -0.99 4.38 -0.17 2.11 6.94 -1.19 -4.49 115.26 121.84 1w2b n ASN 23 Ca -0.05 -3.66 0.08 0.00 -0.02 0.00 0.00 54.58 50.93 1w2b n ASN 23 Cb 0.60 -0.84 0.42 0.00 -2.36 0.00 0.00 39.78 37.60 1w2b n ASN 23 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1w2b n THR 24 N -1.10 0.07 -0.61 5.53 -2.24 -1.26 -4.79 114.28 109.89 1w2b n THR 24 Ca 0.58 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 62.25 1w2b n THR 24 Cb 1.42 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 1w2b n THR 24 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1w2b n GLY 25 N 0.85 1.49 3.69 3.38 0.00 -1.26 -4.96 105.19 108.38 1w2b n GLY 25 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1w2b n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w2b s ALA 26 N -3.50 3.52 -0.22 4.61 0.00 -1.26 -1.99 121.76 122.92 1w2b s ALA 26 Ca 0.00 -0.35 -0.16 0.00 0.00 0.00 0.00 51.96 51.45 1w2b s ALA 26 Cb 0.00 -2.68 -0.09 0.00 0.00 0.00 0.00 23.12 20.35 1w2b s ALA 26 CO 0.00 -0.20 -0.32 0.54 0.00 0.00 0.00 175.76 175.78 1w2b n ARG 27 N 4.20 0.55 -3.98 0.00 1.74 -0.23 -4.57 116.66 114.37 1w2b n ARG 27 Ca -0.07 0.26 -0.34 0.00 -0.77 0.00 0.00 57.85 56.93 1w2b n ARG 27 Cb 0.51 -1.48 -0.15 0.00 -1.02 0.00 0.00 32.46 30.32 1w2b n ARG 27 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1w2b s GLU 28 N -2.68 3.02 -0.12 5.56 2.12 -1.03 -1.80 118.70 123.78 1w2b s GLU 28 Ca -0.33 -0.84 -0.06 0.00 0.36 0.00 0.00 54.97 54.10 1w2b s GLU 28 Cb 0.09 -2.90 -0.04 0.00 0.26 0.00 0.00 34.13 31.54 1w2b s GLU 28 CO 0.45 -0.30 0.09 -0.51 -0.54 0.00 0.00 175.26 174.45 1w2b s LEU 29 N 1.36 4.08 -0.37 2.70 1.43 -0.10 0.02 118.68 127.80 1w2b s LEU 29 Ca 0.03 0.32 -0.06 0.00 -1.03 0.00 0.00 54.13 53.38 1w2b s LEU 29 Cb -0.15 -1.98 0.06 0.00 0.03 0.00 0.00 46.19 44.14 1w2b s LEU 29 CO -0.06 0.36 0.15 -0.75 0.23 0.00 0.00 176.35 176.28 1w2b s LYS 30 N -0.74 2.52 0.15 1.70 2.20 0.19 -1.09 119.74 124.66 1w2b s LYS 30 Ca 0.13 -1.35 -0.34 0.00 -0.36 0.00 0.00 55.97 54.04 1w2b s LYS 30 Cb -0.12 -3.54 -0.14 0.00 -1.51 0.00 0.00 37.83 32.52 1w2b s LYS 30 CO 0.03 -0.79 1.53 0.28 -0.36 0.00 0.00 175.35 176.03 1w2b n VAL 31 N 4.79 0.01 0.00 4.02 0.31 -0.63 -1.84 118.33 124.98 1w2b n VAL 31 Ca -0.10 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1w2b n VAL 31 Cb 0.44 -1.39 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 1w2b n VAL 31 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1w2b n ILE 32 N 3.22 0.00 -3.95 2.52 5.41 0.16 -0.96 119.36 125.77 1w2b n ILE 32 Ca 0.17 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.83 1w2b n ILE 32 Cb 0.27 -0.54 -0.07 0.00 -0.71 0.00 0.00 39.64 38.59 1w2b n ILE 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1w2b s SER 33 N -3.88 0.05 -0.40 4.38 0.01 -1.19 -4.80 113.70 107.88 1w2b s SER 33 Ca 0.00 -0.85 0.04 0.00 1.31 0.00 0.00 55.95 56.45 1w2b s SER 33 Cb 0.00 0.42 0.11 0.00 0.21 0.00 0.00 66.02 66.76 1w2b s SER 33 CO 0.00 -0.87 0.12 -0.69 0.41 0.00 0.00 173.24 172.21 1w2b s VAL 34 N -3.96 2.33 -0.35 3.43 1.01 -1.26 -0.70 120.40 120.90 1w2b s VAL 34 Ca 0.16 -2.64 -0.33 0.00 0.00 0.00 0.00 61.98 59.16 1w2b s VAL 34 Cb 0.04 -2.69 -0.14 0.00 0.00 0.00 0.00 36.38 33.58 1w2b s VAL 34 CO -0.01 -0.67 1.17 1.57 0.00 0.00 0.00 175.10 177.15 1w2b n HIS 35 N 3.89 1.21 -0.99 5.22 -0.00 -0.18 0.44 115.22 124.81 1w2b n HIS 35 Ca 0.04 0.79 0.00 0.00 0.46 0.00 0.00 57.72 59.01 1w2b n HIS 35 Cb 0.39 -1.59 0.00 0.00 -0.12 0.00 0.00 29.99 28.67 1w2b n HIS 35 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1w2b n GLY 36 N 3.05 0.68 3.85 1.57 0.00 -1.26 -4.78 105.19 108.30 1w2b n GLY 36 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 1w2b n GLY 36 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1w2b s TYR 37 N -2.77 3.63 -0.15 1.61 5.04 0.17 -5.06 117.35 119.82 1w2b s TYR 37 Ca 0.00 0.97 -0.04 0.00 -2.44 0.00 0.00 57.07 55.56 1w2b s TYR 37 Cb 0.00 -2.29 0.05 0.00 0.35 0.00 0.00 41.96 40.07 1w2b s TYR 37 CO 0.00 0.50 0.06 0.45 -1.34 0.00 0.00 175.55 175.22 1w2b s SER 38 N -1.61 2.26 0.00 4.32 0.15 -1.26 -4.91 113.70 112.65 1w2b s SER 38 Ca 0.34 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1w2b s SER 38 Cb -0.15 -0.34 0.00 0.00 -1.71 0.00 0.00 66.02 63.82 1w2b s SER 38 CO 0.18 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.92 1w2b n GLY 39 N 5.21 0.94 3.29 9.45 0.00 -1.26 -5.13 105.19 117.69 1w2b n GLY 39 Ca -0.07 -1.51 -0.18 0.00 0.00 0.00 0.00 46.02 44.26 1w2b n GLY 39 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1w2b s THR 40 N 0.16 0.13 0.12 2.61 -1.32 -1.26 -5.08 115.64 111.01 1w2b s THR 40 Ca 0.00 -2.00 -0.31 0.00 -1.21 0.00 0.00 61.69 58.17 1w2b s THR 40 Cb 0.00 -2.50 -0.10 0.00 -1.51 0.00 0.00 72.50 68.40 1w2b s THR 40 CO 0.00 0.00 1.67 -0.75 -2.21 0.00 0.00 174.62 173.33 1w2b s LYS 41 N -3.74 4.18 0.00 7.08 2.20 -1.26 -2.56 119.74 125.64 1w2b s LYS 41 Ca 0.38 2.43 0.00 0.00 -0.36 0.00 0.00 55.97 58.42 1w2b s LYS 41 Cb 0.04 -3.40 0.00 0.00 -1.51 0.00 0.00 37.83 32.96 1w2b s LYS 41 CO 0.20 -0.72 0.00 0.09 -0.36 0.00 0.00 175.35 174.56 1w2b n ASN 42 N 4.94 -2.24 -4.78 1.43 3.02 -1.26 -5.03 115.26 111.36 1w2b n ASN 42 Ca 0.16 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.35 1w2b n ASN 42 Cb 0.39 -0.84 -0.07 0.00 -0.61 0.00 0.00 39.78 38.64 1w2b n ASN 42 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1w2b s ARG 43 N -0.31 3.80 -0.20 3.52 3.52 -1.06 -5.06 118.95 123.17 1w2b s ARG 43 Ca 0.00 -0.21 -0.29 0.00 -0.13 0.00 0.00 55.73 55.10 1w2b s ARG 43 Cb 0.00 -3.27 -0.01 0.00 -1.56 0.00 0.00 34.95 30.11 1w2b s ARG 43 CO 0.00 0.51 1.27 -1.01 -0.81 0.00 0.00 175.30 175.26 1w2b s HIS 44 N -0.26 2.80 -0.22 5.12 3.76 -1.26 -4.66 115.29 120.57 1w2b s HIS 44 Ca 0.10 0.97 -0.39 0.00 -0.15 0.00 0.00 55.06 55.60 1w2b s HIS 44 Cb -0.12 -3.62 -0.15 0.00 1.11 0.00 0.00 32.58 29.81 1w2b s HIS 44 CO 0.01 -1.70 1.73 -0.35 -0.85 0.00 0.00 174.74 173.57 1w2b n PRO 45 N 6.81 1.30 -4.01 8.40 -0.04 -1.26 -4.67 135.00 141.53 1w2b n PRO 45 Ca 0.14 0.48 -0.31 0.00 -0.04 0.00 0.00 63.50 63.77 1w2b n PRO 45 Cb 0.45 -2.18 -0.06 0.00 -0.04 0.00 0.00 33.50 31.68 1w2b n PRO 45 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1w2b s LYS 46 N 3.32 3.10 0.18 0.54 -2.85 -1.26 -0.40 119.74 122.36 1w2b s LYS 46 Ca 0.96 -0.57 0.03 0.00 -1.00 0.00 0.00 55.97 55.38 1w2b s LYS 46 Cb -1.01 -2.85 -0.05 0.00 -2.06 0.00 0.00 37.83 31.86 1w2b s LYS 46 CO 0.62 0.59 -0.02 0.00 0.10 0.00 0.00 175.35 176.64 1w2b s ALA 47 N -1.40 1.45 0.19 0.59 0.00 0.14 -4.88 121.76 117.85 1w2b s ALA 47 Ca 0.30 -1.60 -0.22 0.00 0.00 0.00 0.00 51.96 50.44 1w2b s ALA 47 Cb -0.12 0.43 0.08 0.00 0.00 0.00 0.00 23.12 23.50 1w2b s ALA 47 CO 0.23 -0.26 1.03 0.20 0.00 0.00 0.00 175.76 176.95 1w2b s GLY 48 N -3.20 0.10 -0.07 0.00 0.00 -1.26 -0.14 107.32 102.76 1w2b s GLY 48 Ca 0.23 -0.33 -0.32 0.00 0.00 0.00 0.00 44.72 44.30 1w2b s GLY 48 CO 0.04 2.21 0.91 1.04 0.00 0.00 0.00 173.10 177.30 1w2b n LEU 49 N -0.68 0.15 0.00 0.66 4.77 -1.26 -0.48 117.00 120.16 1w2b n LEU 49 Ca -0.03 0.91 0.00 0.00 -0.03 0.00 0.00 56.01 56.86 1w2b n LEU 49 Cb 0.59 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1w2b n LEU 49 CO 0.21 -1.35 0.00 0.61 -1.33 0.00 0.00 177.39 175.53 1w2b n GLY 50 N 1.50 1.91 3.79 -0.72 0.00 -0.46 -4.97 105.19 106.25 1w2b n GLY 50 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1w2b n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1w2b s ASP 51 N -2.94 7.29 -0.40 1.61 1.01 0.36 -4.79 116.67 118.80 1w2b s ASP 51 Ca 0.00 1.68 -0.16 0.00 0.71 0.00 0.00 52.55 54.78 1w2b s ASP 51 Cb 0.00 -2.52 0.02 0.00 1.01 0.00 0.00 42.92 41.43 1w2b s ASP 51 CO 0.00 0.03 0.35 -0.75 0.21 0.00 0.00 175.17 175.02 1w2b s LYS 52 N -1.80 3.10 0.44 8.23 2.20 -1.26 -1.05 119.74 129.60 1w2b s LYS 52 Ca 0.45 -0.85 0.08 0.00 -0.36 0.00 0.00 55.97 55.28 1w2b s LYS 52 Cb -0.19 -3.95 -0.01 0.00 -1.51 0.00 0.00 37.83 32.17 1w2b s LYS 52 CO 0.24 -0.75 0.41 0.96 -0.36 0.00 0.00 175.35 175.85 1w2b s ILE 53 N 1.89 2.50 -0.16 5.43 -4.36 -0.19 -1.01 121.20 125.29 1w2b s ILE 53 Ca 0.08 -1.33 -0.07 0.00 -0.26 0.00 0.00 60.65 59.07 1w2b s ILE 53 Cb -0.18 -2.83 -0.04 0.00 1.25 0.00 0.00 42.46 40.66 1w2b s ILE 53 CO 0.12 0.00 0.08 -0.89 0.24 0.00 0.00 174.94 174.48 1w2b s THR 54 N -2.52 4.94 0.05 8.37 2.01 0.13 -2.07 115.64 126.55 1w2b s THR 54 Ca 0.47 0.01 0.05 0.00 0.31 0.00 0.00 61.69 62.53 1w2b s THR 54 Cb -0.03 -3.20 -0.02 0.00 0.01 0.00 0.00 72.50 69.25 1w2b s THR 54 CO 0.28 0.50 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.89 1w2b s VAL 55 N -0.04 1.04 0.02 3.82 1.01 0.14 0.41 120.40 126.80 1w2b s VAL 55 Ca 0.07 -1.13 0.07 0.00 0.00 0.00 0.00 61.98 60.98 1w2b s VAL 55 Cb -0.12 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 1w2b s VAL 55 CO 0.01 -0.14 -0.18 -0.55 0.00 0.00 0.00 175.10 174.24 1w2b s SER 56 N -1.44 3.77 -0.25 3.32 0.15 -0.77 0.50 113.70 118.98 1w2b s SER 56 Ca -0.01 -0.39 -0.17 0.00 0.70 0.00 0.00 55.95 56.07 1w2b s SER 56 Cb -0.09 -0.63 -0.03 0.00 -1.71 0.00 0.00 66.02 63.56 1w2b s SER 56 CO 0.02 0.28 0.49 -0.69 1.20 0.00 0.00 173.24 174.53 1w2b s VAL 57 N -0.86 5.10 -0.20 4.45 1.01 -0.83 0.52 120.40 129.59 1w2b s VAL 57 Ca 0.14 0.84 -0.18 0.00 0.00 0.00 0.00 61.98 62.77 1w2b s VAL 57 Cb -0.10 -3.81 -0.15 0.00 0.00 0.00 0.00 36.38 32.32 1w2b s VAL 57 CO 0.04 0.12 0.08 0.41 0.00 0.00 0.00 175.10 175.75 1w2b n THR 58 N 5.02 1.50 -4.29 3.92 -1.04 0.10 -1.23 114.28 118.27 1w2b n THR 58 Ca -0.05 0.02 -0.30 0.00 -2.04 0.00 0.00 64.05 61.68 1w2b n THR 58 Cb 0.50 -2.12 -0.10 0.00 -1.82 0.00 0.00 70.33 66.78 1w2b n THR 58 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1w2b s LYS 59 N -2.35 2.05 0.00 -2.82 1.02 -1.13 -4.83 119.74 111.68 1w2b s LYS 59 Ca -0.26 -1.05 0.00 0.00 0.02 0.00 0.00 55.97 54.68 1w2b s LYS 59 Cb 0.05 -2.25 0.00 0.00 -0.52 0.00 0.00 37.83 35.11 1w2b s LYS 59 CO 0.49 0.51 0.00 0.41 -0.92 0.00 0.00 175.35 175.84 1w2b n GLY 60 N 0.82 0.87 3.75 -3.33 0.00 -1.26 -1.07 105.19 104.97 1w2b n GLY 60 Ca -0.14 -1.84 -0.38 0.00 0.00 0.00 0.00 46.02 43.65 1w2b n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1w2b s THR 61 N -2.60 2.20 0.46 2.61 -4.23 -0.84 -4.73 115.64 108.50 1w2b s THR 61 Ca 0.00 0.14 0.22 0.00 -1.18 0.00 0.00 61.69 60.87 1w2b s THR 61 Cb 0.00 -3.07 0.41 0.00 1.34 0.00 0.00 72.50 71.18 1w2b s THR 61 CO 0.00 -0.01 1.87 -0.65 -0.54 0.00 0.00 174.62 175.30 1w2b h PRO 62 N 1.41 0.26 0.10 3.99 0.11 -1.94 0.86 132.00 136.78 1w2b h PRO 62 Ca -0.51 -0.02 -0.27 0.00 0.11 0.00 0.00 66.00 65.32 1w2b h PRO 62 Cb 1.30 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 32.36 1w2b h PRO 62 CO 0.57 0.17 -1.17 0.93 -0.21 0.00 0.00 178.00 178.30 1w2b h GLU 63 N 0.27 0.38 0.00 1.05 4.39 -2.00 -3.31 114.58 115.36 1w2b h GLU 63 Ca 0.45 -0.54 -0.16 0.00 0.34 0.00 0.00 59.36 59.44 1w2b h GLU 63 Cb 1.32 0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 30.13 1w2b h GLU 63 CO -0.12 1.22 -0.78 0.52 -1.16 0.00 0.00 179.01 178.69 1w2b h MET 64 N 0.15 0.00 -6.98 2.33 2.86 -1.58 -3.45 114.93 108.26 1w2b h MET 64 Ca -0.13 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 56.96 1w2b h MET 64 Cb 1.85 0.00 0.12 0.00 0.06 0.00 0.00 31.60 33.63 1w2b h MET 64 CO 0.20 0.78 0.73 1.03 1.06 0.00 0.00 176.91 180.72 1w2b s ARG 65 N -2.95 3.81 -0.74 1.72 0.52 0.17 -2.51 118.95 118.98 1w2b s ARG 65 Ca 0.01 2.49 0.00 0.00 -0.52 0.00 0.00 55.73 57.71 1w2b s ARG 65 Cb 0.10 -2.76 0.00 0.00 0.52 0.00 0.00 34.95 32.81 1w2b s ARG 65 CO 0.78 -0.74 0.00 0.54 0.02 0.00 0.00 175.30 175.90 1w2b n ARG 66 N 0.01 -0.81 -3.59 3.54 1.74 -0.36 -4.96 116.66 112.22 1w2b n ARG 66 Ca 0.04 0.66 -0.34 0.00 -0.77 0.00 0.00 57.85 57.44 1w2b n ARG 66 Cb 0.41 -4.54 -0.05 0.00 -1.02 0.00 0.00 32.46 27.26 1w2b n ARG 66 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1w2b s GLN 67 N -2.25 3.74 -0.45 5.56 -0.21 -1.04 -4.85 119.66 120.16 1w2b s GLN 67 Ca 0.00 0.14 -0.13 0.00 0.02 0.00 0.00 55.36 55.39 1w2b s GLN 67 Cb 0.00 -2.97 0.07 0.00 1.00 0.00 0.00 33.01 31.11 1w2b s GLN 67 CO 0.00 0.54 0.33 0.08 -2.12 0.00 0.00 175.29 174.13 1w2b s VAL 68 N -1.44 4.84 0.47 1.09 1.01 -1.26 -1.97 120.40 123.14 1w2b s VAL 68 Ca 0.34 -1.16 0.02 0.00 0.00 0.00 0.00 61.98 61.19 1w2b s VAL 68 Cb -0.14 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 1w2b s VAL 68 CO 0.19 -0.52 0.03 -0.76 0.00 0.00 0.00 175.10 174.04 1w2b s LEU 69 N 1.56 2.28 -0.03 3.92 1.43 0.18 -4.95 118.68 123.07 1w2b s LEU 69 Ca 0.04 -1.62 0.02 0.00 -1.03 0.00 0.00 54.13 51.53 1w2b s LEU 69 Cb -0.23 -0.59 -0.03 0.00 0.03 0.00 0.00 46.19 45.37 1w2b s LEU 69 CO 0.05 -0.82 -0.08 -0.70 0.23 0.00 0.00 176.35 175.03 1w2b s GLU 70 N -3.82 2.63 0.23 1.70 2.12 -1.26 0.27 118.70 120.56 1w2b s GLU 70 Ca 0.14 -0.64 -0.12 0.00 0.36 0.00 0.00 54.97 54.71 1w2b s GLU 70 Cb 0.03 -2.53 -0.00 0.00 0.26 0.00 0.00 34.13 31.89 1w2b s GLU 70 CO 0.08 0.63 0.43 0.00 -0.54 0.00 0.00 175.26 175.86 1w2b s ALA 71 N -0.89 -0.18 -0.08 6.30 0.00 -0.88 0.12 121.76 126.15 1w2b s ALA 71 Ca 0.14 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.27 1w2b s ALA 71 Cb -0.11 1.04 -0.01 0.00 0.00 0.00 0.00 23.12 24.03 1w2b s ALA 71 CO 0.04 -0.80 -0.20 0.08 0.00 0.00 0.00 175.76 174.88 1w2b s VAL 72 N -4.01 2.52 -0.47 0.00 1.01 0.58 -1.03 120.40 119.00 1w2b s VAL 72 Ca 0.21 -0.88 -0.28 0.00 0.00 0.00 0.00 61.98 61.03 1w2b s VAL 72 Cb 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.41 1w2b s VAL 72 CO 0.07 0.56 1.55 -0.69 0.00 0.00 0.00 175.10 176.59 1w2b s VAL 73 N -0.05 3.70 -0.11 2.92 1.01 -0.22 -0.27 120.40 127.39 1w2b s VAL 73 Ca -0.05 0.65 -0.14 0.00 0.00 0.00 0.00 61.98 62.44 1w2b s VAL 73 Cb -0.14 -4.14 -0.27 0.00 0.00 0.00 0.00 36.38 31.84 1w2b s VAL 73 CO 0.04 -0.85 0.49 0.58 0.00 0.00 0.00 175.10 175.36 1w2b h VAL 74 N 6.56 0.91 -4.11 2.92 2.07 -0.59 -1.21 116.25 122.81 1w2b h VAL 74 Ca -0.28 -2.38 -0.27 0.00 0.82 0.00 0.00 66.70 64.59 1w2b h VAL 74 Cb 1.12 2.62 -0.15 0.00 -1.52 0.00 0.00 31.29 33.36 1w2b h VAL 74 CO 1.12 0.73 -0.63 -0.13 0.02 0.00 0.00 177.57 178.68 1w2b s ARG 75 N -2.50 1.18 -0.01 1.57 0.52 -0.57 -3.71 118.95 115.44 1w2b s ARG 75 Ca -0.21 -1.61 -0.28 0.00 -0.52 0.00 0.00 55.73 53.11 1w2b s ARG 75 Cb 0.05 -0.03 0.10 0.00 0.52 0.00 0.00 34.95 35.59 1w2b s ARG 75 CO 0.76 -0.27 0.83 1.14 0.02 0.00 0.00 175.30 177.78 1w2b s GLN 76 N -4.04 0.90 0.06 3.54 -2.07 -1.04 -2.29 119.66 114.72 1w2b s GLN 76 Ca 0.32 -0.19 -0.06 0.00 -1.82 0.00 0.00 55.36 53.60 1w2b s GLN 76 Cb 0.07 0.42 -0.30 0.00 -1.09 0.00 0.00 33.01 32.11 1w2b s GLN 76 CO 0.08 -0.36 1.08 0.00 -1.32 0.00 0.00 175.29 174.77 1w2b h ARG 77 N 2.21 0.32 -6.56 9.60 3.08 -1.77 -2.52 114.38 118.74 1w2b h ARG 77 Ca -0.24 -0.55 -0.53 0.00 0.07 0.00 0.00 59.98 58.73 1w2b h ARG 77 Cb 1.23 0.20 0.04 0.00 0.08 0.00 0.00 29.97 31.52 1w2b h ARG 77 CO 0.33 1.25 0.88 0.21 -1.07 0.00 0.00 179.97 181.58 1w2b s LYS 78 N -2.64 4.23 0.86 0.04 2.47 -1.26 -4.32 119.74 119.12 1w2b s LYS 78 Ca -0.06 2.31 -0.12 0.00 -1.56 0.00 0.00 55.97 56.54 1w2b s LYS 78 Cb 0.06 -3.26 0.10 0.00 -1.46 0.00 0.00 37.83 33.27 1w2b s LYS 78 CO 0.89 -0.61 1.07 -2.30 0.16 0.00 0.00 175.35 174.56 1w2b n PRO 79 N 4.32 -0.11 -4.39 4.03 -0.02 -1.26 -4.83 135.00 132.74 1w2b n PRO 79 Ca 0.14 0.04 -0.20 0.00 -2.02 0.00 0.00 63.50 61.46 1w2b n PRO 79 Cb 0.39 -2.33 -0.10 0.00 -0.02 0.00 0.00 33.50 31.44 1w2b n PRO 79 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1w2b s ILE 80 N -2.34 1.44 -0.23 4.25 -4.36 0.88 -4.02 121.20 116.82 1w2b s ILE 80 Ca 0.69 -2.09 -0.00 0.00 -0.26 0.00 0.00 60.65 58.98 1w2b s ILE 80 Cb -0.26 -2.40 0.03 0.00 1.25 0.00 0.00 42.46 41.08 1w2b s ILE 80 CO 0.56 -0.32 -0.11 -0.60 0.24 0.00 0.00 174.94 174.71 1w2b s ARG 81 N -3.77 2.79 0.24 0.37 3.52 -0.23 -0.60 118.95 121.26 1w2b s ARG 81 Ca 0.29 -0.99 -0.12 0.00 -0.13 0.00 0.00 55.73 54.78 1w2b s ARG 81 Cb 0.04 -2.85 -0.08 0.00 -1.56 0.00 0.00 34.95 30.51 1w2b s ARG 81 CO 0.11 -0.37 0.60 1.03 -0.81 0.00 0.00 175.30 175.85 1w2b s ARG 82 N 1.28 3.89 0.24 5.12 0.52 -0.13 -2.24 118.95 127.63 1w2b s ARG 82 Ca -0.00 0.42 0.11 0.00 -0.52 0.00 0.00 55.73 55.74 1w2b s ARG 82 Cb -0.16 -2.64 0.81 0.00 0.52 0.00 0.00 34.95 33.48 1w2b s ARG 82 CO -0.07 0.30 1.07 -2.30 0.02 0.00 0.00 175.30 174.32 1w2b n PRO 83 N -0.03 -0.04 0.00 3.54 -0.02 -1.26 0.14 135.00 137.32 1w2b n PRO 83 Ca 0.00 0.95 0.11 0.00 -2.02 0.00 0.00 63.50 62.54 1w2b n PRO 83 Cb 0.52 -1.66 0.63 0.00 -0.02 0.00 0.00 33.50 32.97 1w2b n PRO 83 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1w2b n ASP 84 N -4.63 0.00 0.00 2.55 5.75 -1.26 -4.86 116.55 114.10 1w2b n ASP 84 Ca 0.23 -0.80 0.00 0.00 -0.01 0.00 0.00 54.79 54.21 1w2b n ASP 84 Cb 0.78 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.87 1w2b n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1w2b n GLY 85 N 0.43 3.20 3.75 6.12 0.00 0.37 -5.06 105.19 114.00 1w2b n GLY 85 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1w2b n GLY 85 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1w2b n THR 86 N -0.90 1.81 -3.52 2.61 -1.04 -1.21 -4.58 114.28 107.45 1w2b n THR 86 Ca 0.00 -0.45 -0.31 0.00 -2.04 0.00 0.00 64.05 61.25 1w2b n THR 86 Cb 0.00 -1.85 -0.05 0.00 -1.82 0.00 0.00 70.33 66.62 1w2b n THR 86 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1w2b s ARG 87 N -1.74 3.68 -0.00 -2.82 1.81 -1.26 -0.95 118.95 117.67 1w2b s ARG 87 Ca 0.56 0.05 0.01 0.00 -1.72 0.00 0.00 55.73 54.63 1w2b s ARG 87 Cb -0.51 -2.74 -0.00 0.00 -0.45 0.00 0.00 34.95 31.25 1w2b s ARG 87 CO 0.61 0.36 -0.04 0.08 -0.68 0.00 0.00 175.30 175.63 1w2b s VAL 88 N -1.81 0.31 0.06 3.52 1.01 0.23 -4.88 120.40 118.84 1w2b s VAL 88 Ca 0.44 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.22 1w2b s VAL 88 Cb -0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 1w2b s VAL 88 CO 0.25 0.09 0.06 -1.59 0.00 0.00 0.00 175.10 173.91 1w2b s LYS 89 N -0.05 0.67 0.51 2.72 -2.85 -1.26 -0.09 119.74 119.39 1w2b s LYS 89 Ca 0.01 -1.03 0.04 0.00 -1.00 0.00 0.00 55.97 53.99 1w2b s LYS 89 Cb -0.02 0.25 0.01 0.00 -2.06 0.00 0.00 37.83 36.00 1w2b s LYS 89 CO -0.00 -0.16 0.24 -0.06 0.10 0.00 0.00 175.35 175.46 1w2b s PHE 90 N -3.56 1.89 -0.69 1.78 0.40 -0.95 -5.03 117.98 111.82 1w2b s PHE 90 Ca 0.03 -0.83 0.26 0.00 -0.60 0.00 0.00 56.93 55.79 1w2b s PHE 90 Cb 0.05 -1.83 0.77 0.00 0.51 0.00 0.00 43.02 42.51 1w2b s PHE 90 CO -0.09 -0.13 1.76 1.49 0.70 0.00 0.00 175.22 178.95 1w2b h GLU 91 N 1.06 0.00 0.00 0.44 4.22 -1.95 -3.41 114.58 114.95 1w2b h GLU 91 Ca -0.40 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.04 1w2b h GLU 91 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1w2b h GLU 91 CO 0.65 0.00 0.00 -0.40 -2.18 0.00 0.00 179.01 177.08 1w2b n ASP 92 N -2.36 0.00 -4.37 1.04 5.75 -1.26 -4.97 116.55 110.39 1w2b n ASP 92 Ca 0.05 -0.46 -0.32 0.00 -0.01 0.00 0.00 54.79 54.05 1w2b n ASP 92 Cb 0.43 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.38 1w2b n ASP 92 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1w2b s ASN 93 N 0.63 3.73 -0.16 -1.12 0.01 -1.26 -2.50 114.94 114.27 1w2b s ASN 93 Ca 0.00 -0.35 -0.16 0.00 -0.71 0.00 0.00 52.86 51.64 1w2b s ASN 93 Cb 0.00 -1.19 0.04 0.00 0.41 0.00 0.00 41.25 40.52 1w2b s ASN 93 CO 0.00 0.24 0.45 0.00 -1.51 0.00 0.00 177.10 176.27 1w2b s ALA 94 N -0.09 -1.11 0.04 0.60 0.00 -0.97 -1.94 121.76 118.29 1w2b s ALA 94 Ca -0.03 1.23 0.04 0.00 0.00 0.00 0.00 51.96 53.19 1w2b s ALA 94 Cb -0.14 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 1w2b s ALA 94 CO 0.04 -0.22 -0.11 0.00 0.00 0.00 0.00 175.76 175.47 1w2b s ALA 95 N 0.16 0.88 -0.20 0.00 0.00 -0.56 0.20 121.76 122.24 1w2b s ALA 95 Ca -0.01 -0.76 -0.08 0.00 0.00 0.00 0.00 51.96 51.12 1w2b s ALA 95 Cb -0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 1w2b s ALA 95 CO 0.01 0.12 0.08 0.08 0.00 0.00 0.00 175.76 176.05 1w2b s VAL 96 N -1.00 4.80 0.81 0.00 1.01 0.63 -2.58 120.40 124.08 1w2b s VAL 96 Ca -0.03 -0.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.81 1w2b s VAL 96 Cb -0.08 -3.19 0.09 0.00 0.00 0.00 0.00 36.38 33.19 1w2b s VAL 96 CO 0.01 0.42 1.15 -0.63 0.00 0.00 0.00 175.10 176.05 1w2b s ILE 97 N 0.71 2.48 0.29 2.22 1.01 -1.26 -0.31 121.20 126.34 1w2b s ILE 97 Ca 0.04 0.18 -0.16 0.00 0.00 0.00 0.00 60.65 60.71 1w2b s ILE 97 Cb -0.13 -2.50 0.02 0.00 0.01 0.00 0.00 42.46 39.86 1w2b s ILE 97 CO 0.02 -0.18 0.64 0.54 0.00 0.00 0.00 174.94 175.96 1w2b s VAL 98 N -2.49 0.00 0.14 2.92 0.11 0.12 -3.44 120.40 117.75 1w2b s VAL 98 Ca 0.68 -1.17 0.01 0.00 -2.93 0.00 0.00 61.98 58.56 1w2b s VAL 98 Cb -0.23 -2.26 0.01 0.00 -1.53 0.00 0.00 36.38 32.36 1w2b s VAL 98 CO 0.53 0.00 0.09 -0.90 -3.33 0.00 0.00 175.10 171.49 1w2b n ASP 99 N -0.67 1.56 -0.28 3.54 5.68 -0.10 -4.21 116.55 122.07 1w2b n ASP 99 Ca -0.04 -1.49 0.10 0.00 -0.50 0.00 0.00 54.79 52.87 1w2b n ASP 99 Cb 0.60 0.00 0.25 0.00 -1.14 0.00 0.00 41.12 40.83 1w2b n ASP 99 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1w2b h GLU 100 N 0.00 0.26 -0.44 0.11 5.08 -1.97 0.43 114.58 118.05 1w2b h GLU 100 Ca -0.09 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1w2b h GLU 100 Cb 0.32 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1w2b h GLU 100 CO 0.14 0.17 0.00 0.09 -1.00 0.00 0.00 179.01 178.42 1w2b n ASN 101 N -5.17 2.13 -2.36 1.42 3.02 -1.26 -4.89 115.26 108.15 1w2b n ASN 101 Ca 0.19 -2.09 -0.15 0.00 -0.03 0.00 0.00 54.58 52.50 1w2b n ASN 101 Cb 0.58 -0.30 0.04 0.00 -0.61 0.00 0.00 39.78 39.49 1w2b n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1w2b n GLU 102 N 0.47 -4.62 -4.39 3.52 1.02 0.15 -5.02 120.64 111.78 1w2b n GLU 102 Ca 0.12 0.54 -0.34 0.00 -0.02 0.00 0.00 57.16 57.46 1w2b n GLU 102 Cb 0.37 -4.69 -0.11 0.00 -0.02 0.00 0.00 31.44 27.00 1w2b n GLU 102 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1w2b s ASP 103 N -3.11 5.01 0.08 1.62 1.01 -1.25 -4.60 116.67 115.43 1w2b s ASP 103 Ca 0.33 0.01 -0.36 0.00 0.71 0.00 0.00 52.55 53.24 1w2b s ASP 103 Cb -0.15 -1.59 -0.15 0.00 1.01 0.00 0.00 42.92 42.04 1w2b s ASP 103 CO 0.41 0.28 1.52 -0.81 0.21 0.00 0.00 175.17 176.77 1w2b n PRO 104 N 2.82 1.67 0.00 8.23 -0.04 -1.26 -0.92 135.00 145.50 1w2b n PRO 104 Ca -0.18 0.60 0.08 0.00 -0.04 0.00 0.00 63.50 63.96 1w2b n PRO 104 Cb 0.53 -2.32 0.46 0.00 -0.04 0.00 0.00 33.50 32.13 1w2b n PRO 104 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1w2b n ARG 105 N 3.45 0.62 -0.45 0.54 0.63 -1.22 -4.77 116.66 115.46 1w2b n ARG 105 Ca 0.19 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.12 1w2b n ARG 105 Cb 0.24 -1.39 0.00 0.00 0.45 0.00 0.00 32.46 31.75 1w2b n ARG 105 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1w2b n GLY 106 N 0.21 6.79 0.47 5.14 0.00 -1.26 -4.81 105.19 111.73 1w2b n GLY 106 Ca 0.12 -2.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.01 1w2b n GLY 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1w2b n THR 107 N 0.00 1.13 -4.30 2.61 -1.04 -1.26 -5.04 114.28 106.37 1w2b n THR 107 Ca 0.00 -0.03 -0.24 0.00 -2.04 0.00 0.00 64.05 61.74 1w2b n THR 107 Cb 0.00 -1.87 -0.08 0.00 -1.82 0.00 0.00 70.33 66.56 1w2b n THR 107 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1w2b s GLU 108 N -2.42 2.17 -0.14 -2.82 2.02 -1.26 -4.98 118.70 111.27 1w2b s GLU 108 Ca -0.21 -1.57 0.02 0.00 0.02 0.00 0.00 54.97 53.22 1w2b s GLU 108 Cb 0.06 -2.05 0.00 0.00 0.10 0.00 0.00 34.13 32.25 1w2b s GLU 108 CO 0.28 0.26 -0.19 -0.51 0.02 0.00 0.00 175.26 175.13 1w2b s LEU 109 N -3.69 2.28 -0.16 1.80 1.43 -1.25 -3.19 118.68 115.90 1w2b s LEU 109 Ca 0.33 -0.53 -0.23 0.00 -1.03 0.00 0.00 54.13 52.67 1w2b s LEU 109 Cb -0.04 -1.50 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 1w2b s LEU 109 CO 0.19 0.09 0.72 -0.54 0.23 0.00 0.00 176.35 177.05 1w2b s LYS 110 N 0.75 4.29 0.00 1.70 1.02 -1.15 -4.45 119.74 121.90 1w2b s LYS 110 Ca -0.08 0.82 0.00 0.00 0.02 0.00 0.00 55.97 56.73 1w2b s LYS 110 Cb -0.16 -3.55 0.00 0.00 -0.52 0.00 0.00 37.83 33.60 1w2b s LYS 110 CO 0.00 -0.21 0.00 0.41 -0.92 0.00 0.00 175.35 174.63 1w2b n GLY 111 N 3.54 0.71 3.51 -3.33 0.00 -1.26 -4.62 105.19 103.73 1w2b n GLY 111 Ca 0.01 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.01 1w2b n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1w2b s PRO 112 N -3.19 -1.22 0.02 1.61 0.04 -1.26 -4.52 135.00 126.48 1w2b s PRO 112 Ca 0.00 0.39 -0.04 0.00 0.04 0.00 0.00 61.00 61.39 1w2b s PRO 112 Cb 0.00 -1.56 -0.01 0.00 0.04 0.00 0.00 34.50 32.97 1w2b s PRO 112 CO 0.00 -3.81 0.06 0.42 0.04 0.00 0.00 177.00 173.71 1w2b s ILE 113 N -2.65 0.12 -0.05 0.56 1.01 -0.08 -4.90 121.20 115.21 1w2b s ILE 113 Ca 0.68 -0.99 -0.29 0.00 0.00 0.00 0.00 60.65 60.05 1w2b s ILE 113 Cb -0.18 -0.63 -0.02 0.00 0.01 0.00 0.00 42.46 41.64 1w2b s ILE 113 CO 0.60 -0.54 0.96 0.00 0.00 0.00 0.00 174.94 175.95 1w2b s ALA 114 N -2.04 3.29 0.26 9.38 0.00 -1.24 0.18 121.76 131.59 1w2b s ALA 114 Ca -0.10 0.41 -0.03 0.00 0.00 0.00 0.00 51.96 52.24 1w2b s ALA 114 Cb -0.05 -3.34 0.54 0.00 0.00 0.00 0.00 23.12 20.28 1w2b s ALA 114 CO -0.02 -0.38 1.65 0.07 0.00 0.00 0.00 175.76 177.08 1w2b h ARG 115 N 6.94 0.19 -1.14 0.00 0.11 -1.86 -0.40 114.38 118.22 1w2b h ARG 115 Ca -0.37 -0.01 0.33 0.00 0.10 0.00 0.00 59.98 60.03 1w2b h ARG 115 Cb 1.19 -0.04 -0.05 0.00 1.11 0.00 0.00 29.97 32.18 1w2b h ARG 115 CO 0.79 0.12 0.83 0.93 0.10 0.00 0.00 179.97 182.75 1w2b h GLU 116 N 0.19 0.00 0.00 0.08 3.07 -1.90 0.20 114.58 116.22 1w2b h GLU 116 Ca 0.46 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 59.22 1w2b h GLU 116 Cb 0.86 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.75 1w2b h GLU 116 CO -0.61 0.00 -0.51 0.28 -1.40 0.00 0.00 179.01 176.77 1w2b h VAL 117 N 0.00 1.14 -0.51 3.13 2.07 -1.38 -3.10 116.25 117.59 1w2b h VAL 117 Ca 0.54 -1.90 -0.08 0.00 0.82 0.00 0.00 66.70 66.08 1w2b h VAL 117 Cb 2.20 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 34.05 1w2b h VAL 117 CO -0.01 0.50 0.01 0.00 0.02 0.00 0.00 177.57 178.09 1w2b h ALA 118 N 1.49 1.06 0.00 1.67 0.00 -0.70 -0.06 119.26 122.71 1w2b h ALA 118 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1w2b h ALA 118 Cb 1.06 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1w2b h ALA 118 CO 0.07 0.59 0.00 1.04 0.00 0.00 0.00 179.25 180.95 1w2b n GLN 119 N -4.21 0.13 0.01 0.00 6.02 -1.17 -3.47 117.38 114.68 1w2b n GLN 119 Ca 0.03 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 1w2b n GLN 119 Cb 0.31 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.07 1w2b n GLN 119 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1w2b n ARG 120 N -1.10 0.00 -3.68 -1.09 1.74 -0.72 -4.91 116.66 106.89 1w2b n ARG 120 Ca 0.03 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.75 1w2b n ARG 120 Cb 0.02 -0.42 -0.08 0.00 -1.02 0.00 0.00 32.46 30.96 1w2b n ARG 120 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1w2b s PHE 121 N -2.00 3.56 0.03 -1.55 0.40 -0.12 -4.98 117.98 113.32 1w2b s PHE 121 Ca 0.00 -2.80 -0.12 0.00 -0.60 0.00 0.00 56.93 53.41 1w2b s PHE 121 Cb 0.00 -3.22 -0.05 0.00 0.51 0.00 0.00 43.02 40.26 1w2b s PHE 121 CO 0.00 -0.81 1.18 0.78 0.70 0.00 0.00 175.22 177.08 1w2b h GLY 122 N 6.70 -1.06 -0.02 4.36 0.00 -1.84 -0.96 103.07 110.25 1w2b h GLY 122 Ca 0.05 0.49 0.29 0.00 0.00 0.00 0.00 47.33 48.15 1w2b h GLY 122 CO 0.75 -0.36 0.72 1.48 0.00 0.00 0.00 176.54 179.13 1w2b h SER 123 N -0.29 0.07 -0.07 0.19 4.64 -1.94 1.20 113.55 117.36 1w2b h SER 123 Ca -0.01 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1w2b h SER 123 Cb 0.27 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1w2b h SER 123 CO -0.06 0.02 -0.05 0.58 -0.87 0.00 0.00 176.83 176.44 1w2b h VAL 124 N 0.07 1.36 0.64 0.95 2.07 -1.75 -3.27 116.25 116.32 1w2b h VAL 124 Ca 0.49 -1.16 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 1w2b h VAL 124 Cb 1.84 1.99 -0.00 0.00 -1.52 0.00 0.00 31.29 33.60 1w2b h VAL 124 CO -0.05 0.32 -0.39 0.00 0.02 0.00 0.00 177.57 177.48 1w2b h ALA 125 N 0.57 -0.99 0.00 1.67 0.00 0.26 -2.57 119.26 118.20 1w2b h ALA 125 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1w2b h ALA 125 Cb 0.54 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1w2b h ALA 125 CO 0.01 -1.07 0.00 -1.13 0.00 0.00 0.00 179.25 177.06 1w2b n SER 126 N -5.53 0.50 0.00 0.00 3.41 0.18 0.41 113.62 112.59 1w2b n SER 126 Ca -0.13 -0.53 0.00 0.00 -0.26 0.00 0.00 58.87 57.95 1w2b n SER 126 Cb 0.41 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1w2b n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1w2b n ALA 127 N 0.59 0.27 -1.78 7.33 0.00 -0.98 -5.00 120.51 120.92 1w2b n ALA 127 Ca 0.00 -0.12 -0.38 0.00 0.00 0.00 0.00 53.44 52.94 1w2b n ALA 127 Cb 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.48 1w2b n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1w2b s ALA 128 N 0.00 3.25 -0.08 0.00 0.00 0.17 -3.90 121.76 121.19 1w2b s ALA 128 Ca 0.00 0.54 -0.03 0.00 0.00 0.00 0.00 51.96 52.47 1w2b s ALA 128 Cb 0.00 -3.18 -0.01 0.00 0.00 0.00 0.00 23.12 19.93 1w2b s ALA 128 CO 0.00 0.19 -0.06 1.15 0.00 0.00 0.00 175.76 177.04 1w2b h THR 129 N 2.74 0.00 -3.36 0.00 2.02 -1.85 -3.47 112.91 109.00 1w2b h THR 129 Ca -0.46 -0.67 -0.66 0.00 0.77 0.00 0.00 66.41 65.39 1w2b h THR 129 Cb 1.19 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 67.43 1w2b h THR 129 CO 0.66 0.00 -0.64 -0.04 0.37 0.00 0.00 175.52 175.87 1w2b s MET 130 N -1.60 3.27 -0.35 6.66 -1.94 -1.26 -5.08 119.30 119.01 1w2b s MET 130 Ca -0.05 -0.45 0.00 0.00 -1.71 0.00 0.00 55.69 53.48 1w2b s MET 130 Cb 0.01 -2.85 0.11 0.00 2.01 0.00 0.00 34.83 34.11 1w2b s MET 130 CO 0.07 0.51 0.14 0.42 -0.01 0.00 0.00 175.02 176.15 1w2b s ILE 131 N -0.35 1.02 -2.38 2.53 1.01 -1.26 -0.91 121.20 120.85 1w2b s ILE 131 Ca 0.07 -1.76 0.29 0.00 0.00 0.00 0.00 60.65 59.25 1w2b s ILE 131 Cb -0.12 -1.75 0.63 0.00 0.01 0.00 0.00 42.46 41.23 1w2b s ILE 131 CO 0.02 -0.75 1.86 0.52 0.00 0.00 0.00 174.94 176.59