#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nw2 n ASN 2 N 0.00 -1.22 -4.75 1.08 4.13 -1.24 -0.78 115.26 112.48 2nw2 n ASN 2 Ca 0.00 -0.93 -0.39 0.00 1.68 0.00 0.00 54.58 54.93 2nw2 n ASN 2 Cb 0.00 -3.50 -0.05 0.00 -1.54 0.00 0.00 39.78 34.69 2nw2 n ASN 2 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2nw2 s ILE 3 N -3.79 4.87 -0.03 2.41 1.01 -1.26 -3.75 121.20 120.65 2nw2 s ILE 3 Ca 0.06 1.42 0.01 0.00 0.00 0.00 0.00 60.65 62.15 2nw2 s ILE 3 Cb -0.02 -4.02 0.01 0.00 0.01 0.00 0.00 42.46 38.44 2nw2 s ILE 3 CO 0.85 0.37 -0.05 -0.62 0.00 0.00 0.00 174.94 175.49 2nw2 s ASP 4 N 0.05 0.89 0.06 3.58 2.15 -0.00 -4.83 116.67 118.56 2nw2 s ASP 4 Ca 0.35 -0.13 -0.11 0.00 0.43 0.00 0.00 52.55 53.09 2nw2 s ASP 4 Cb -0.19 -0.33 0.01 0.00 -0.30 0.00 0.00 42.92 42.11 2nw2 s ASP 4 CO 0.19 -0.00 0.24 0.00 -0.17 0.00 0.00 175.17 175.43 2nw2 s GLN 5 N 0.52 0.80 0.64 4.34 -2.07 -1.26 -1.30 119.66 121.34 2nw2 s GLN 5 Ca -0.07 -0.70 -0.16 0.00 -1.82 0.00 0.00 55.36 52.61 2nw2 s GLN 5 Cb -0.11 0.34 -0.01 0.00 -1.09 0.00 0.00 33.01 32.14 2nw2 s GLN 5 CO 0.00 -0.26 1.15 -2.14 -1.32 0.00 0.00 175.29 172.72 2nw2 s PRO 7 N -3.06 2.79 0.08 9.60 0.02 -1.26 -4.86 135.00 138.31 2nw2 s PRO 7 Ca -0.01 1.56 -0.17 0.00 0.02 0.00 0.00 61.00 62.39 2nw2 s PRO 7 Cb 0.01 -1.93 -0.09 0.00 0.02 0.00 0.00 34.50 32.50 2nw2 s PRO 7 CO -0.07 -1.29 1.44 1.15 -0.33 0.00 0.00 177.00 177.90 2nw2 h THR 8 N 0.30 1.30 -2.74 0.99 2.02 -1.95 -3.31 112.91 109.51 2nw2 h THR 8 Ca -0.48 -1.22 -0.10 0.00 0.77 0.00 0.00 66.41 65.38 2nw2 h THR 8 Cb 1.27 1.57 -0.21 0.00 -1.74 0.00 0.00 68.15 69.04 2nw2 h THR 8 CO 0.54 0.38 -0.16 -0.70 0.37 0.00 0.00 175.52 175.95 2nw2 s GLU 9 N -4.57 0.72 0.03 6.66 2.12 -1.26 -0.94 118.70 121.46 2nw2 s GLU 9 Ca -0.13 0.06 -0.02 0.00 0.36 0.00 0.00 54.97 55.23 2nw2 s GLU 9 Cb 0.07 0.33 -0.02 0.00 0.26 0.00 0.00 34.13 34.77 2nw2 s GLU 9 CO 0.78 -0.19 0.01 -1.64 -0.54 0.00 0.00 175.26 173.68 2nw2 s MET 10 N -1.01 0.48 -0.01 4.30 -1.94 0.30 -4.90 119.30 116.53 2nw2 s MET 10 Ca -0.10 -0.81 0.03 0.00 -1.71 0.00 0.00 55.69 53.10 2nw2 s MET 10 Cb -0.04 0.18 -0.01 0.00 2.01 0.00 0.00 34.83 36.97 2nw2 s MET 10 CO 0.05 -0.10 -0.11 0.99 -0.01 0.00 0.00 175.02 175.84 2nw2 s THR 11 N -2.45 0.88 0.21 2.05 2.01 -1.26 -0.93 115.64 116.15 2nw2 s THR 11 Ca -0.07 -0.50 -0.12 0.00 0.31 0.00 0.00 61.69 61.32 2nw2 s THR 11 Cb -0.02 -0.74 -0.00 0.00 0.01 0.00 0.00 72.50 71.74 2nw2 s THR 11 CO -0.04 0.23 0.41 0.00 -0.69 0.00 0.00 174.62 174.54 2nw2 s ALA 12 N -0.29 -0.25 -0.00 7.40 0.00 -0.62 -4.96 121.76 123.04 2nw2 s ALA 12 Ca 0.04 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.22 2nw2 s ALA 12 Cb -0.04 0.98 -0.04 0.00 0.00 0.00 0.00 23.12 24.01 2nw2 s ALA 12 CO -0.00 -0.77 0.03 0.99 0.00 0.00 0.00 175.76 176.01 2nw2 s THR 13 N -3.98 4.36 0.31 0.00 2.01 -1.26 -0.11 115.64 116.97 2nw2 s THR 13 Ca 0.19 -0.54 -0.28 0.00 0.31 0.00 0.00 61.69 61.37 2nw2 s THR 13 Cb 0.01 -2.97 -0.13 0.00 0.01 0.00 0.00 72.50 69.42 2nw2 s THR 13 CO 0.04 0.36 1.14 -1.84 -0.69 0.00 0.00 174.62 173.63 2nw2 n GLU 14 N 1.29 1.68 0.00 4.92 0.28 0.09 -1.76 120.64 127.15 2nw2 n GLU 14 Ca -0.14 0.59 0.00 0.00 -0.16 0.00 0.00 57.16 57.45 2nw2 n GLU 14 Cb 0.53 -2.06 0.00 0.00 1.43 0.00 0.00 31.44 31.34 2nw2 n GLU 14 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2nw2 n GLY 15 N 1.10 1.79 3.96 -1.84 0.00 0.42 -4.80 105.19 105.82 2nw2 n GLY 15 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 2nw2 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nw2 s ALA 16 N -2.34 2.90 -0.09 4.61 0.00 -0.72 -4.25 121.76 121.87 2nw2 s ALA 16 Ca 0.00 -1.48 -0.00 0.00 0.00 0.00 0.00 51.96 50.47 2nw2 s ALA 16 Cb 0.00 -2.41 -0.03 0.00 0.00 0.00 0.00 23.12 20.69 2nw2 s ALA 16 CO 0.00 -2.04 -0.07 0.42 0.00 0.00 0.00 175.76 174.08 2nw2 s ILE 17 N -3.57 3.70 0.02 0.00 1.01 -1.26 -1.64 121.20 119.46 2nw2 s ILE 17 Ca 0.71 -0.47 0.03 0.00 0.00 0.00 0.00 60.65 60.93 2nw2 s ILE 17 Cb -0.04 -2.53 -0.01 0.00 0.01 0.00 0.00 42.46 39.88 2nw2 s ILE 17 CO 0.49 0.58 -0.10 0.54 0.00 0.00 0.00 174.94 176.45 2nw2 s VAL 18 N -0.53 0.76 -0.21 2.92 0.11 -0.35 -5.00 120.40 118.10 2nw2 s VAL 18 Ca 0.08 -0.66 -0.00 0.00 -2.93 0.00 0.00 61.98 58.46 2nw2 s VAL 18 Cb -0.12 -0.69 0.02 0.00 -1.53 0.00 0.00 36.38 34.06 2nw2 s VAL 18 CO 0.02 0.03 -0.14 -1.58 -3.33 0.00 0.00 175.10 170.10 2nw2 s GLN 19 N -0.71 2.99 -0.31 1.54 0.74 -1.26 -0.73 119.66 121.92 2nw2 s GLN 19 Ca 0.00 -0.85 -0.10 0.00 0.05 0.00 0.00 55.36 54.46 2nw2 s GLN 19 Cb -0.06 -2.76 -0.01 0.00 1.10 0.00 0.00 33.01 31.29 2nw2 s GLN 19 CO 0.00 -0.27 0.15 0.42 -0.55 0.00 0.00 175.29 175.05 2nw2 s ILE 20 N 1.32 4.64 -0.06 -2.34 1.01 0.33 -4.95 121.20 121.15 2nw2 s ILE 20 Ca 0.03 -0.39 -0.10 0.00 0.00 0.00 0.00 60.65 60.19 2nw2 s ILE 20 Cb -0.14 -3.36 -0.05 0.00 0.01 0.00 0.00 42.46 38.92 2nw2 s ILE 20 CO -0.09 0.08 0.27 0.20 0.00 0.00 0.00 174.94 175.39 2nw2 s ASN 21 N 1.62 6.58 -0.02 3.58 0.02 -1.26 -1.08 114.94 124.38 2nw2 s ASN 21 Ca 0.05 0.69 0.01 0.00 -1.02 0.00 0.00 52.86 52.58 2nw2 s ASN 21 Cb -0.17 -2.15 0.01 0.00 0.02 0.00 0.00 41.25 38.96 2nw2 s ASN 21 CO 0.06 0.36 -0.01 0.00 0.02 0.00 0.00 177.10 177.53 2nw2 s THR 23 N 0.52 2.43 0.16 0.00 -4.23 -0.42 -0.79 115.64 113.31 2nw2 s THR 23 Ca -0.05 -1.85 -0.15 0.00 -1.18 0.00 0.00 61.69 58.45 2nw2 s THR 23 Cb -0.08 -2.13 0.02 0.00 1.34 0.00 0.00 72.50 71.65 2nw2 s THR 23 CO -0.01 -0.02 0.43 -0.72 -0.54 0.00 0.00 174.62 173.77 2nw2 s TYR 24 N -1.39 -0.05 -0.13 3.99 -0.85 -0.13 -0.82 117.35 117.95 2nw2 s TYR 24 Ca 0.18 -0.29 -0.06 0.00 -0.52 0.00 0.00 57.07 56.39 2nw2 s TYR 24 Cb -0.09 0.26 0.06 0.00 0.38 0.00 0.00 41.96 42.57 2nw2 s TYR 24 CO 0.09 -0.80 0.29 -1.14 -1.52 0.00 0.00 175.55 172.46 2nw2 s GLN 25 N -3.87 0.22 -0.05 -3.49 0.74 0.04 -4.49 119.66 108.76 2nw2 s GLN 25 Ca 0.08 0.70 -0.17 0.00 0.05 0.00 0.00 55.36 56.02 2nw2 s GLN 25 Cb 0.01 -0.03 0.03 0.00 1.10 0.00 0.00 33.01 34.12 2nw2 s GLN 25 CO -0.06 -0.22 0.39 -0.08 -0.55 0.00 0.00 175.29 174.77 2nw2 s THR 26 N 1.85 0.04 0.44 -0.34 -1.32 -1.26 -3.72 115.64 111.33 2nw2 s THR 26 Ca -0.05 -0.31 -0.21 0.00 -1.21 0.00 0.00 61.69 59.92 2nw2 s THR 26 Cb -0.11 -0.67 -0.11 0.00 -1.51 0.00 0.00 72.50 70.11 2nw2 s THR 26 CO -0.09 -0.17 0.96 -0.94 -2.21 0.00 0.00 174.62 172.17 2nw2 s SER 27 N -1.01 6.84 -1.17 8.08 1.04 -1.26 -4.34 113.70 121.88 2nw2 s SER 27 Ca -0.11 1.72 -0.01 0.00 0.48 0.00 0.00 55.95 58.03 2nw2 s SER 27 Cb -0.04 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.54 2nw2 s SER 27 CO 0.04 -0.43 0.98 0.61 0.98 0.00 0.00 173.24 175.43 2nw2 n GLY 28 N -0.62 -0.35 3.70 7.32 0.00 -1.26 -4.90 105.19 109.08 2nw2 n GLY 28 Ca 0.07 0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 2nw2 n GLY 28 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2nw2 n PHE 29 N -4.10 2.67 -1.74 1.61 7.35 -1.26 -4.85 117.46 117.14 2nw2 n PHE 29 Ca -0.25 -0.02 0.04 0.00 -0.76 0.00 0.00 57.45 56.46 2nw2 n PHE 29 Cb 0.65 -2.69 0.07 0.00 0.35 0.00 0.00 39.48 37.87 2nw2 n PHE 29 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2nw2 n ASN 30 N 4.63 1.10 0.00 -2.13 5.03 -1.26 -5.12 115.26 117.52 2nw2 n ASN 30 Ca 0.17 -2.57 0.00 0.00 0.87 0.00 0.00 54.58 53.05 2nw2 n ASN 30 Cb 0.35 -0.33 0.00 0.00 -1.02 0.00 0.00 39.78 38.79 2nw2 n ASN 30 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2nw2 n GLY 31 N -0.51 3.00 2.91 7.41 0.00 -1.26 -4.76 105.19 111.97 2nw2 n GLY 31 Ca 0.08 -2.03 -0.19 0.00 0.00 0.00 0.00 46.02 43.88 2nw2 n GLY 31 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2nw2 s LEU 32 N 0.00 1.45 0.08 0.99 0.20 0.10 -0.81 118.68 120.69 2nw2 s LEU 32 Ca 0.00 -0.12 0.05 0.00 0.69 0.00 0.00 54.13 54.74 2nw2 s LEU 32 Cb 0.00 -0.41 -0.04 0.00 -0.43 0.00 0.00 46.19 45.31 2nw2 s LEU 32 CO 0.00 -0.03 -0.01 -0.36 -0.29 0.00 0.00 176.35 175.66 2nw2 s PHE 33 N 0.71 2.97 -0.08 5.38 0.08 0.80 -0.78 117.98 127.06 2nw2 s PHE 33 Ca -0.09 -0.03 0.03 0.00 0.12 0.00 0.00 56.93 56.96 2nw2 s PHE 33 Cb -0.12 -1.55 -0.02 0.00 -0.57 0.00 0.00 43.02 40.76 2nw2 s PHE 33 CO 0.00 0.47 -0.16 -1.58 -0.10 0.00 0.00 175.22 173.85 2nw2 s TRP 34 N -1.26 2.69 0.12 0.36 0.52 -0.26 -0.88 118.94 120.23 2nw2 s TRP 34 Ca 0.24 -0.45 0.10 0.00 0.02 0.00 0.00 56.10 56.01 2nw2 s TRP 34 Cb -0.12 -1.70 -0.04 0.00 -1.15 0.00 0.00 33.47 30.46 2nw2 s TRP 34 CO 0.16 -0.04 -0.24 0.71 0.02 0.00 0.00 176.95 177.56 2nw2 s TYR 35 N -0.21 2.06 -0.12 -1.98 2.02 -0.23 -0.47 117.35 118.42 2nw2 s TYR 35 Ca -0.00 -0.40 -0.05 0.00 -0.37 0.00 0.00 57.07 56.25 2nw2 s TYR 35 Cb -0.13 -1.12 -0.04 0.00 -0.40 0.00 0.00 41.96 40.27 2nw2 s TYR 35 CO 0.03 0.27 0.05 -1.14 -1.57 0.00 0.00 175.55 173.20 2nw2 s GLN 36 N -1.98 3.40 -0.23 -0.62 0.74 0.23 -0.58 119.66 120.62 2nw2 s GLN 36 Ca 0.10 -0.32 -0.02 0.00 0.05 0.00 0.00 55.36 55.17 2nw2 s GLN 36 Cb -0.10 -3.01 0.07 0.00 1.10 0.00 0.00 33.01 31.07 2nw2 s GLN 36 CO 0.05 0.59 0.05 -1.14 -0.55 0.00 0.00 175.29 174.29 2nw2 s GLN 37 N -0.52 0.69 0.36 1.67 0.74 0.11 -0.24 119.66 122.47 2nw2 s GLN 37 Ca 0.10 -0.63 -0.27 0.00 0.05 0.00 0.00 55.36 54.61 2nw2 s GLN 37 Cb -0.12 -2.04 -0.09 0.00 1.10 0.00 0.00 33.01 31.86 2nw2 s GLN 37 CO 0.02 -0.76 1.19 -1.01 -0.55 0.00 0.00 175.29 174.18 2nw2 s HIS 38 N 1.79 3.15 -0.30 1.67 3.76 -1.26 -0.92 115.29 123.16 2nw2 s HIS 38 Ca 0.02 1.55 -0.42 0.00 -0.15 0.00 0.00 55.06 56.06 2nw2 s HIS 38 Cb -0.17 -3.44 -0.17 0.00 1.11 0.00 0.00 32.58 29.91 2nw2 s HIS 38 CO -0.14 -1.32 1.66 0.00 -0.85 0.00 0.00 174.74 174.08 2nw2 n ALA 39 N 0.42 -0.67 -1.56 -1.40 0.00 -1.26 -0.57 120.51 115.47 2nw2 n ALA 39 Ca 0.02 0.43 -0.05 0.00 0.00 0.00 0.00 53.44 53.85 2nw2 n ALA 39 Cb 0.45 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.79 2nw2 n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nw2 n GLY 40 N 3.94 -0.01 0.00 0.00 0.00 -1.26 -5.00 105.19 102.85 2nw2 n GLY 40 Ca 0.27 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.42 2nw2 n GLY 40 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2nw2 n GLU 41 N -0.16 1.58 -2.01 1.61 0.00 0.26 -5.17 120.64 116.74 2nw2 n GLU 41 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.72 2nw2 n GLU 41 Cb 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.50 2nw2 n GLU 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2nw2 s ALA 42 N -2.00 3.69 0.47 -1.84 0.00 -1.26 -4.61 121.76 116.21 2nw2 s ALA 42 Ca 0.00 1.30 -0.24 0.00 0.00 0.00 0.00 51.96 53.01 2nw2 s ALA 42 Cb 0.00 -3.58 -0.07 0.00 0.00 0.00 0.00 23.12 19.46 2nw2 s ALA 42 CO 0.00 -0.73 1.42 -2.14 0.00 0.00 0.00 175.76 174.31 2nw2 s PRO 43 N 0.75 3.55 0.02 0.00 0.02 -1.26 -4.57 135.00 133.51 2nw2 s PRO 43 Ca 0.66 2.39 0.05 0.00 0.02 0.00 0.00 61.00 64.12 2nw2 s PRO 43 Cb -0.42 -2.56 -0.02 0.00 0.02 0.00 0.00 34.50 31.53 2nw2 s PRO 43 CO 0.34 -0.92 -0.14 0.95 -0.33 0.00 0.00 177.00 176.90 2nw2 s THR 44 N -1.22 1.14 0.23 0.99 -4.23 0.67 -4.94 115.64 108.28 2nw2 s THR 44 Ca 0.64 -0.84 -0.31 0.00 -1.18 0.00 0.00 61.69 60.00 2nw2 s THR 44 Cb -0.43 -1.00 -0.11 0.00 1.34 0.00 0.00 72.50 72.30 2nw2 s THR 44 CO 0.55 0.15 1.57 0.12 -0.54 0.00 0.00 174.62 176.47 2nw2 s PHE 45 N -0.62 2.94 -0.17 3.99 5.36 -1.26 -0.60 117.98 127.62 2nw2 s PHE 45 Ca 0.04 0.72 -0.06 0.00 -0.96 0.00 0.00 56.93 56.67 2nw2 s PHE 45 Cb -0.07 -3.97 -0.08 0.00 -0.34 0.00 0.00 43.02 38.56 2nw2 s PHE 45 CO 0.01 -3.42 -0.20 1.28 -1.46 0.00 0.00 175.22 171.42 2nw2 n LEU 46 N 3.06 1.58 -3.48 6.12 4.77 0.38 -4.84 117.00 124.60 2nw2 n LEU 46 Ca 0.11 0.14 -0.14 0.00 -0.03 0.00 0.00 56.01 56.09 2nw2 n LEU 46 Cb 0.38 -0.51 -0.04 0.00 -2.33 0.00 0.00 43.42 40.92 2nw2 n LEU 46 CO 0.62 0.44 0.38 -0.94 -1.33 0.00 0.00 177.39 176.57 2nw2 s SER 47 N -6.31 -0.56 -0.06 -1.43 1.04 -1.00 -4.97 113.70 100.41 2nw2 s SER 47 Ca -0.23 0.21 0.02 0.00 0.48 0.00 0.00 55.95 56.43 2nw2 s SER 47 Cb 0.08 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.78 2nw2 s SER 47 CO 0.31 -0.83 -0.09 -0.47 0.98 0.00 0.00 173.24 173.14 2nw2 s TYR 48 N -2.86 1.18 -0.04 5.02 5.04 -1.26 -1.10 117.35 123.33 2nw2 s TYR 48 Ca -0.03 -0.40 0.03 0.00 -2.44 0.00 0.00 57.07 54.23 2nw2 s TYR 48 Cb -0.01 -0.90 0.00 0.00 0.35 0.00 0.00 41.96 41.41 2nw2 s TYR 48 CO -0.05 -0.23 -0.11 -0.80 -1.34 0.00 0.00 175.55 173.02 2nw2 s ASN 49 N 0.72 1.49 0.00 4.32 0.01 0.04 -4.97 114.94 116.54 2nw2 s ASN 49 Ca -0.13 -0.24 0.00 0.00 -0.71 0.00 0.00 52.86 51.78 2nw2 s ASN 49 Cb -0.15 -0.47 0.00 0.00 0.41 0.00 0.00 41.25 41.04 2nw2 s ASN 49 CO 0.02 0.07 0.00 0.55 -1.51 0.00 0.00 177.10 176.24 2nw2 n VAL 50 N 3.39 0.00 -3.63 1.60 3.14 -1.26 -0.72 118.33 120.84 2nw2 n VAL 50 Ca -0.19 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 60.89 2nw2 n VAL 50 Cb 0.53 -0.27 -0.04 0.00 -1.06 0.00 0.00 33.84 33.00 2nw2 n VAL 50 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2nw2 s LEU 51 N -2.16 4.22 0.53 6.55 1.43 -1.26 -4.85 118.68 123.14 2nw2 s LEU 51 Ca 0.00 0.55 -0.22 0.00 -1.03 0.00 0.00 54.13 53.43 2nw2 s LEU 51 Cb 0.00 -3.30 -0.05 0.00 0.03 0.00 0.00 46.19 42.86 2nw2 s LEU 51 CO 0.00 -0.01 1.33 -1.81 0.23 0.00 0.00 176.35 176.08 2nw2 s ASP 52 N -2.77 5.43 0.00 2.29 1.01 -1.26 -4.68 116.67 116.69 2nw2 s ASP 52 Ca 0.41 2.69 0.00 0.00 0.71 0.00 0.00 52.55 56.36 2nw2 s ASP 52 Cb -0.12 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.18 2nw2 s ASP 52 CO 0.27 -1.46 0.00 0.61 0.21 0.00 0.00 175.17 174.80 2nw2 n GLY 53 N 0.67 0.93 3.64 0.21 0.00 -0.30 -4.93 105.19 105.42 2nw2 n GLY 53 Ca 0.10 -2.17 -0.36 0.00 0.00 0.00 0.00 46.02 43.59 2nw2 n GLY 53 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2nw2 s LEU 54 N 0.00 3.99 -0.15 0.99 2.96 -1.26 -1.43 118.68 123.77 2nw2 s LEU 54 Ca 0.00 0.09 0.01 0.00 -0.22 0.00 0.00 54.13 54.01 2nw2 s LEU 54 Cb 0.00 -2.05 0.00 0.00 0.50 0.00 0.00 46.19 44.64 2nw2 s LEU 54 CO 0.00 0.10 -0.18 -0.70 -1.32 0.00 0.00 176.35 174.26 2nw2 s GLU 55 N 0.83 3.14 -0.17 1.98 -6.30 -0.18 -4.98 118.70 113.03 2nw2 s GLU 55 Ca 0.06 -0.79 -0.08 0.00 -2.50 0.00 0.00 54.97 51.67 2nw2 s GLU 55 Cb -0.13 -2.57 -0.04 0.00 0.00 0.00 0.00 34.13 31.39 2nw2 s GLU 55 CO 0.02 -0.01 0.10 -1.21 0.02 0.00 0.00 175.26 174.19 2nw2 s GLU 56 N 0.85 3.84 -0.37 4.30 2.02 -1.26 -0.88 118.70 127.19 2nw2 s GLU 56 Ca -0.05 -0.25 0.01 0.00 0.02 0.00 0.00 54.97 54.69 2nw2 s GLU 56 Cb -0.15 -3.25 0.14 0.00 0.10 0.00 0.00 34.13 30.97 2nw2 s GLU 56 CO -0.01 0.44 0.23 0.15 0.02 0.00 0.00 175.26 176.09 2nw2 s LYS 57 N -0.08 0.71 7.38 1.61 3.01 0.52 -5.00 119.74 127.87 2nw2 s LYS 57 Ca 0.09 -1.52 0.00 0.00 -1.01 0.00 0.00 55.97 53.52 2nw2 s LYS 57 Cb -0.12 -1.47 0.00 0.00 -1.01 0.00 0.00 37.83 35.23 2nw2 s LYS 57 CO 0.00 -1.22 0.00 0.41 0.51 0.00 0.00 175.35 175.05 2nw2 n GLY 58 N 3.82 2.56 0.11 -3.33 0.00 -1.26 -2.42 105.19 104.68 2nw2 n GLY 58 Ca 0.14 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 46.00 2nw2 n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nw2 n ARG 61 N 13.20 0.22 -4.42 1.61 1.74 -1.26 -4.81 116.66 122.94 2nw2 n ARG 61 Ca 0.00 0.29 -0.32 0.00 -0.77 0.00 0.00 57.85 57.05 2nw2 n ARG 61 Cb 0.00 -1.82 -0.10 0.00 -1.02 0.00 0.00 32.46 29.52 2nw2 n ARG 61 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2nw2 s PHE 62 N -3.18 2.90 0.10 -1.55 0.40 -1.01 -1.12 117.98 114.51 2nw2 s PHE 62 Ca 0.08 -0.04 0.06 0.00 -0.60 0.00 0.00 56.93 56.43 2nw2 s PHE 62 Cb 0.11 -1.60 -0.03 0.00 0.51 0.00 0.00 43.02 42.01 2nw2 s PHE 62 CO 0.51 0.38 -0.14 -1.12 0.70 0.00 0.00 175.22 175.55 2nw2 s SER 63 N -1.49 1.90 -0.05 1.36 0.01 0.09 -0.36 113.70 115.17 2nw2 s SER 63 Ca 0.18 -0.74 0.02 0.00 1.31 0.00 0.00 55.95 56.72 2nw2 s SER 63 Cb -0.11 -0.06 0.01 0.00 0.21 0.00 0.00 66.02 66.07 2nw2 s SER 63 CO 0.08 -0.11 -0.10 -0.44 0.41 0.00 0.00 173.24 173.08 2nw2 s SER 64 N -2.18 1.47 0.02 2.44 0.01 -0.06 -0.33 113.70 115.08 2nw2 s SER 64 Ca 0.05 -0.24 0.05 0.00 1.31 0.00 0.00 55.95 57.12 2nw2 s SER 64 Cb -0.07 -0.62 -0.03 0.00 0.21 0.00 0.00 66.02 65.51 2nw2 s SER 64 CO 0.03 0.03 -0.13 0.12 0.41 0.00 0.00 173.24 173.70 2nw2 s PHE 65 N 0.59 2.71 -0.02 2.43 5.36 0.01 -1.01 117.98 128.06 2nw2 s PHE 65 Ca -0.11 -0.16 0.02 0.00 -0.96 0.00 0.00 56.93 55.72 2nw2 s PHE 65 Cb -0.14 -1.54 0.00 0.00 -0.34 0.00 0.00 43.02 41.01 2nw2 s PHE 65 CO 0.02 0.30 -0.07 -1.17 -1.46 0.00 0.00 175.22 172.84 2nw2 s LEU 66 N -1.39 1.80 -0.26 6.12 2.96 -0.52 -2.23 118.68 125.16 2nw2 s LEU 66 Ca 0.16 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 2nw2 s LEU 66 Cb -0.11 -0.45 0.07 0.00 0.50 0.00 0.00 46.19 46.21 2nw2 s LEU 66 CO 0.06 0.05 -0.03 -0.55 -1.32 0.00 0.00 176.35 174.56 2nw2 s SER 67 N 0.16 4.12 0.21 3.68 0.15 0.37 -1.15 113.70 121.24 2nw2 s SER 67 Ca -0.02 -1.41 -0.05 0.00 0.70 0.00 0.00 55.95 55.16 2nw2 s SER 67 Cb -0.07 -1.29 0.18 0.00 -1.71 0.00 0.00 66.02 63.13 2nw2 s SER 67 CO 0.00 -0.27 1.67 0.03 1.20 0.00 0.00 173.24 175.87 2nw2 h ARG 68 N 7.88 0.89 -0.58 5.44 3.08 -1.94 -0.85 114.38 128.31 2nw2 h ARG 68 Ca -0.16 -0.30 -0.08 0.00 0.07 0.00 0.00 59.98 59.51 2nw2 h ARG 68 Cb 1.05 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.01 2nw2 h ARG 68 CO 0.44 0.94 0.02 0.66 -1.07 0.00 0.00 179.97 180.97 2nw2 h SER 69 N 0.81 0.94 0.95 7.04 4.64 -1.96 -2.68 113.55 123.29 2nw2 h SER 69 Ca 0.14 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2nw2 h SER 69 Cb 0.60 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2nw2 h SER 69 CO 0.04 0.99 -0.22 0.29 -0.87 0.00 0.00 176.83 177.06 2nw2 n LYS 70 N -4.20 0.09 -3.61 4.77 5.02 -1.17 -4.95 118.16 114.11 2nw2 n LYS 70 Ca 0.03 0.05 -0.21 0.00 -2.02 0.00 0.00 58.31 56.16 2nw2 n LYS 70 Cb 0.32 -1.59 0.05 0.00 -0.02 0.00 0.00 35.03 33.79 2nw2 n LYS 70 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2nw2 n GLY 71 N 1.44 -0.48 2.93 0.72 0.00 -0.40 -4.81 105.19 104.59 2nw2 n GLY 71 Ca 0.06 0.21 -0.20 0.00 0.00 0.00 0.00 46.02 46.10 2nw2 n GLY 71 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2nw2 s TYR 72 N -3.58 0.77 0.05 1.61 5.04 -0.72 -0.96 117.35 119.57 2nw2 s TYR 72 Ca 0.11 -0.20 0.04 0.00 -2.44 0.00 0.00 57.07 54.57 2nw2 s TYR 72 Cb -0.03 -0.63 -0.03 0.00 0.35 0.00 0.00 41.96 41.63 2nw2 s TYR 72 CO 0.80 -0.14 -0.11 0.45 -1.34 0.00 0.00 175.55 175.20 2nw2 s SER 73 N 0.59 1.31 0.07 4.32 0.15 0.03 -0.48 113.70 119.68 2nw2 s SER 73 Ca -0.08 -0.56 0.04 0.00 0.70 0.00 0.00 55.95 56.06 2nw2 s SER 73 Cb -0.12 -0.02 -0.03 0.00 -1.71 0.00 0.00 66.02 64.14 2nw2 s SER 73 CO 0.00 -0.11 -0.12 -0.72 1.20 0.00 0.00 173.24 173.49 2nw2 s TYR 74 N -1.23 1.10 -0.20 3.44 -0.85 -0.95 -0.43 117.35 118.23 2nw2 s TYR 74 Ca -0.05 -0.49 -0.08 0.00 -0.52 0.00 0.00 57.07 55.93 2nw2 s TYR 74 Cb -0.10 -0.62 -0.04 0.00 0.38 0.00 0.00 41.96 41.59 2nw2 s TYR 74 CO 0.01 0.03 0.08 -1.17 -1.52 0.00 0.00 175.55 172.98 2nw2 s LEU 75 N -1.81 3.81 -0.24 -3.49 2.96 -0.25 -0.80 118.68 118.85 2nw2 s LEU 75 Ca -0.02 0.04 -0.05 0.00 -0.22 0.00 0.00 54.13 53.88 2nw2 s LEU 75 Cb -0.09 -1.98 -0.00 0.00 0.50 0.00 0.00 46.19 44.61 2nw2 s LEU 75 CO 0.02 0.12 -0.00 -0.22 -1.32 0.00 0.00 176.35 174.95 2nw2 s LEU 76 N 0.69 3.21 -0.25 -0.68 2.96 0.56 -0.51 118.68 124.65 2nw2 s LEU 76 Ca 0.04 -0.49 -0.07 0.00 -0.22 0.00 0.00 54.13 53.39 2nw2 s LEU 76 Cb -0.13 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 2nw2 s LEU 76 CO 0.02 -0.07 0.07 -0.76 -1.32 0.00 0.00 176.35 174.29 2nw2 s LEU 77 N 1.49 3.46 0.25 -0.68 1.02 0.09 -0.73 118.68 123.58 2nw2 s LEU 77 Ca 0.05 -0.23 0.06 0.00 0.02 0.00 0.00 54.13 54.03 2nw2 s LEU 77 Cb -0.15 -1.92 -0.03 0.00 0.02 0.00 0.00 46.19 44.10 2nw2 s LEU 77 CO -0.01 -0.04 0.25 -0.54 0.02 0.00 0.00 176.35 176.03 2nw2 s LYS 78 N 1.61 3.10 -1.29 1.70 1.02 -0.27 -1.21 119.74 124.40 2nw2 s LYS 78 Ca 0.06 -0.95 -0.11 0.00 0.02 0.00 0.00 55.97 54.99 2nw2 s LYS 78 Cb -0.15 -2.68 0.00 0.00 -0.52 0.00 0.00 37.83 34.48 2nw2 s LYS 78 CO 0.04 0.41 0.58 0.39 -0.92 0.00 0.00 175.35 175.85 2nw2 n GLU 79 N -1.25 -2.17 -1.62 1.68 1.02 -1.11 -4.77 120.64 112.43 2nw2 n GLU 79 Ca -0.08 0.39 -0.45 0.00 -0.02 0.00 0.00 57.16 56.99 2nw2 n GLU 79 Cb 0.58 -4.17 -0.02 0.00 -0.02 0.00 0.00 31.44 27.81 2nw2 n GLU 79 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2nw2 n LEU 80 N -4.38 2.20 -4.47 -4.62 7.94 -0.65 -4.57 117.00 108.44 2nw2 n LEU 80 Ca -0.21 1.17 -0.25 0.00 -1.11 0.00 0.00 56.01 55.61 2nw2 n LEU 80 Cb 0.64 -1.32 -0.10 0.00 0.53 0.00 0.00 43.42 43.16 2nw2 n LEU 80 CO 0.72 -1.10 -0.49 -1.10 -1.11 0.00 0.00 177.39 174.32 2nw2 s GLN 81 N -1.15 1.68 0.31 1.96 -0.21 -1.26 -0.44 119.66 120.56 2nw2 s GLN 81 Ca 0.63 -1.61 0.06 0.00 0.02 0.00 0.00 55.36 54.46 2nw2 s GLN 81 Cb -0.71 -1.85 0.73 0.00 1.00 0.00 0.00 33.01 32.18 2nw2 s GLN 81 CO 0.57 0.37 1.81 0.52 -2.12 0.00 0.00 175.29 176.43 2nw2 h MET 82 N 2.67 0.77 0.00 2.91 2.86 -1.94 -0.34 114.93 121.86 2nw2 h MET 82 Ca -0.43 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 2nw2 h MET 82 Cb 1.23 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.72 2nw2 h MET 82 CO 0.55 0.51 0.00 0.36 1.06 0.00 0.00 176.91 179.38 2nw2 n LYS 83 N -4.68 0.05 0.00 1.72 2.85 -1.26 -1.65 118.16 115.19 2nw2 n LYS 83 Ca 0.21 0.39 0.13 0.00 -1.05 0.00 0.00 58.31 58.00 2nw2 n LYS 83 Cb 0.52 -1.61 0.62 0.00 -0.65 0.00 0.00 35.03 33.90 2nw2 n LYS 83 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2nw2 n ASP 84 N -1.70 0.00 -4.64 -5.58 8.00 -0.14 -4.76 116.55 107.74 2nw2 n ASP 84 Ca 0.02 0.31 -0.42 0.00 0.71 0.00 0.00 54.79 55.40 2nw2 n ASP 84 Cb 0.11 -0.43 -0.03 0.00 -0.02 0.00 0.00 41.12 40.75 2nw2 n ASP 84 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2nw2 s SER 85 N -2.87 6.18 -0.06 -2.24 0.15 -0.66 -4.86 113.70 109.35 2nw2 s SER 85 Ca 0.17 2.19 -0.31 0.00 0.70 0.00 0.00 55.95 58.70 2nw2 s SER 85 Cb 0.18 -2.53 0.12 0.00 -1.71 0.00 0.00 66.02 62.09 2nw2 s SER 85 CO 0.47 -1.34 1.36 0.00 1.20 0.00 0.00 173.24 174.93 2nw2 s ALA 86 N 5.64 -2.45 0.18 5.45 0.00 -1.03 -4.85 121.76 124.70 2nw2 s ALA 86 Ca 0.87 0.62 -0.11 0.00 0.00 0.00 0.00 51.96 53.33 2nw2 s ALA 86 Cb -0.35 0.47 -0.07 0.00 0.00 0.00 0.00 23.12 23.17 2nw2 s ALA 86 CO 0.36 -1.09 0.53 -1.12 0.00 0.00 0.00 175.76 174.44 2nw2 s SER 87 N -3.25 6.71 -0.16 0.00 0.01 -0.10 -0.32 113.70 116.59 2nw2 s SER 87 Ca 0.19 0.96 0.01 0.00 1.31 0.00 0.00 55.95 58.43 2nw2 s SER 87 Cb 0.05 -2.24 0.02 0.00 0.21 0.00 0.00 66.02 64.05 2nw2 s SER 87 CO -0.04 0.03 -0.19 -0.31 0.41 0.00 0.00 173.24 173.14 2nw2 s TYR 88 N -1.62 2.57 -0.19 2.43 2.02 0.29 0.08 117.35 122.92 2nw2 s TYR 88 Ca 0.42 -1.41 -0.04 0.00 -0.37 0.00 0.00 57.07 55.66 2nw2 s TYR 88 Cb -0.13 -1.79 -0.02 0.00 -0.40 0.00 0.00 41.96 39.62 2nw2 s TYR 88 CO 0.20 -0.69 -0.04 -0.51 -1.57 0.00 0.00 175.55 172.94 2nw2 s LEU 89 N 1.15 3.10 -0.13 -1.29 1.43 0.25 -1.17 118.68 122.02 2nw2 s LEU 89 Ca 0.00 -0.25 -0.09 0.00 -1.03 0.00 0.00 54.13 52.76 2nw2 s LEU 89 Cb -0.14 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 2nw2 s LEU 89 CO -0.08 0.08 0.17 0.00 0.23 0.00 0.00 176.35 176.75 2nw2 s ALA 91 N -0.68 0.61 -0.17 0.00 0.00 -0.06 -0.01 121.76 121.44 2nw2 s ALA 91 Ca 0.15 -0.17 -0.01 0.00 0.00 0.00 0.00 51.96 51.93 2nw2 s ALA 91 Cb -0.12 -0.27 -0.00 0.00 0.00 0.00 0.00 23.12 22.72 2nw2 s ALA 91 CO 0.04 0.07 -0.13 0.08 0.00 0.00 0.00 175.76 175.82 2nw2 s VAL 92 N 0.36 2.79 0.42 0.00 1.01 -0.09 -0.14 120.40 124.75 2nw2 s VAL 92 Ca -0.04 -0.71 -0.26 0.00 0.00 0.00 0.00 61.98 60.96 2nw2 s VAL 92 Cb -0.08 -2.20 -0.09 0.00 0.00 0.00 0.00 36.38 34.00 2nw2 s VAL 92 CO -0.00 0.50 1.43 -1.58 0.00 0.00 0.00 175.10 175.45 2nw2 s GLN 93 N 0.98 3.86 nan 2.72 2.00 0.01 -0.92 119.66 nan 2nw2 s GLN 93 Ca -0.02 2.44 nan 0.00 -2.00 0.00 0.00 55.36 nan 2nw2 s GLN 93 Cb -0.15 -2.77 nan 0.00 0.80 0.00 0.00 33.01 nan 2nw2 s GLN 93 CO -0.02 -0.69 nan 0.00 -0.50 0.00 0.00 175.29 nan 2nw2 n ALA 94 N 0.06 nan 0.00 1.58 0.00 -1.23 -4.26 120.51 nan 2nw2 n ALA 94 Ca 0.04 nan 0.00 0.00 0.00 0.00 0.00 53.44 nan 2nw2 n ALA 94 Cb 0.41 nan 0.00 0.00 0.00 0.00 0.00 19.45 nan 2nw2 n ALA 94 CO 0.00 nan 0.00 0.41 0.00 0.00 0.00 177.50 nan 2nw2 n GLY 96 N nan 0.00 0.30 0.00 0.00 1.58 -2.31 105.19 nan 2nw2 n GLY 96 Ca nan 0.00 0.20 0.00 0.00 0.00 0.00 46.02 nan 2nw2 n GLY 96 CO nan 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 nan 2nw2 h GLY 97 N 0.00 0.00 -4.22 -0.02 0.00 -2.06 -3.45 103.07 93.32 2nw2 h GLY 97 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 2nw2 h GLY 97 CO 0.00 0.00 0.03 -0.45 0.00 0.00 0.00 176.54 176.12 2nw2 s SER 98 N -5.31 -0.51 -0.97 0.19 0.15 -1.26 -5.09 113.70 100.90 2nw2 s SER 98 Ca -0.02 0.55 -0.24 0.00 0.70 0.00 0.00 55.95 56.94 2nw2 s SER 98 Cb 0.11 0.51 0.03 0.00 -1.71 0.00 0.00 66.02 64.95 2nw2 s SER 98 CO 0.46 -0.54 1.55 -0.31 1.20 0.00 0.00 173.24 175.60 2nw2 s TYR 102 N -1.15 2.36 -0.16 3.44 2.02 -1.26 -4.79 117.35 117.81 2nw2 s TYR 102 Ca -0.11 -0.47 -0.02 0.00 -0.37 0.00 0.00 57.07 56.10 2nw2 s TYR 102 Cb -0.02 -4.55 0.05 0.00 -0.40 0.00 0.00 41.96 37.04 2nw2 s TYR 102 CO 0.08 -1.91 0.01 0.42 -1.57 0.00 0.00 175.55 172.57 2nw2 s ILE 103 N 6.12 0.64 0.56 2.71 1.01 -1.26 -5.00 121.20 125.99 2nw2 s ILE 103 Ca 0.51 -0.42 -0.19 0.00 0.00 0.00 0.00 60.65 60.55 2nw2 s ILE 103 Cb -0.02 -0.98 -0.05 0.00 0.01 0.00 0.00 42.46 41.42 2nw2 s ILE 103 CO -0.06 -0.01 1.13 -2.84 0.00 0.00 0.00 174.94 173.15 2nw2 s PRO 104 N 1.83 3.27 -0.02 2.79 0.02 -1.26 -3.55 135.00 138.07 2nw2 s PRO 104 Ca 0.01 1.58 -0.24 0.00 0.02 0.00 0.00 61.00 62.38 2nw2 s PRO 104 Cb -0.15 -2.00 -0.04 0.00 0.02 0.00 0.00 34.50 32.33 2nw2 s PRO 104 CO -0.07 -0.91 0.71 0.99 -0.33 0.00 0.00 177.00 177.38 2nw2 s THR 105 N -1.85 4.93 -0.04 0.99 2.01 -0.10 -4.82 115.64 116.76 2nw2 s THR 105 Ca 0.72 1.48 -0.17 0.00 0.31 0.00 0.00 61.69 64.03 2nw2 s THR 105 Cb -0.24 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.17 2nw2 s THR 105 CO 0.29 0.31 0.46 -0.36 -0.69 0.00 0.00 174.62 174.63 2nw2 s PHE 106 N 0.41 3.64 1.07 4.92 0.08 -1.26 -0.91 117.98 125.92 2nw2 s PHE 106 Ca 0.37 0.98 -0.14 0.00 0.12 0.00 0.00 56.93 58.26 2nw2 s PHE 106 Cb -0.19 -2.44 0.22 0.00 -0.57 0.00 0.00 43.02 40.05 2nw2 s PHE 106 CO 0.20 0.42 1.09 0.20 -0.10 0.00 0.00 175.22 177.03 2nw2 s GLY 107 N -0.32 1.56 0.51 4.36 0.00 0.98 -4.95 107.32 109.47 2nw2 s GLY 107 Ca 0.25 -0.52 0.32 0.00 0.00 0.00 0.00 44.72 44.77 2nw2 s GLY 107 CO 0.13 0.17 1.93 3.21 0.00 0.00 0.00 173.10 178.55 2nw2 h ARG 108 N -2.13 0.00 0.00 2.90 3.08 -1.88 -3.44 114.38 112.90 2nw2 h ARG 108 Ca -0.53 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.52 2nw2 h ARG 108 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.38 2nw2 h ARG 108 CO 0.52 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.83 2nw2 n GLY 109 N 0.10 0.26 3.24 0.04 0.00 -1.26 -5.00 105.19 102.57 2nw2 n GLY 109 Ca 0.01 -1.56 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 2nw2 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nw2 s THR 110 N -2.64 2.82 -0.21 2.61 2.01 -0.32 -4.49 115.64 115.42 2nw2 s THR 110 Ca 0.00 -0.69 -0.25 0.00 0.31 0.00 0.00 61.69 61.06 2nw2 s THR 110 Cb 0.00 -2.24 -0.01 0.00 0.01 0.00 0.00 72.50 70.26 2nw2 s THR 110 CO 0.00 0.48 0.85 -0.55 -0.69 0.00 0.00 174.62 174.71 2nw2 s SER 111 N 1.29 6.91 -0.23 3.53 0.15 -0.12 -0.55 113.70 124.68 2nw2 s SER 111 Ca 0.04 1.13 -0.08 0.00 0.70 0.00 0.00 55.95 57.73 2nw2 s SER 111 Cb -0.14 -2.45 -0.04 0.00 -1.71 0.00 0.00 66.02 61.68 2nw2 s SER 111 CO -0.06 -0.48 0.09 -0.22 1.20 0.00 0.00 173.24 173.77 2nw2 s LEU 112 N 2.60 3.69 -0.27 3.45 2.96 0.56 -0.54 118.68 131.13 2nw2 s LEU 112 Ca 0.37 -0.07 -0.09 0.00 -0.22 0.00 0.00 54.13 54.12 2nw2 s LEU 112 Cb -0.16 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 2nw2 s LEU 112 CO 0.09 0.03 0.13 -0.63 -1.32 0.00 0.00 176.35 174.65 2nw2 s ILE 113 N 1.24 4.73 -0.23 6.68 1.01 -0.10 -2.45 121.20 132.07 2nw2 s ILE 113 Ca 0.05 -0.09 -0.12 0.00 0.00 0.00 0.00 60.65 60.49 2nw2 s ILE 113 Cb -0.14 -3.26 -0.05 0.00 0.01 0.00 0.00 42.46 39.02 2nw2 s ILE 113 CO 0.04 0.26 0.25 -0.69 0.00 0.00 0.00 174.94 174.80 2nw2 s VAL 114 N 1.67 5.30 0.01 2.92 1.01 -1.26 -1.59 120.40 128.46 2nw2 s VAL 114 Ca 0.06 0.36 -0.18 0.00 0.00 0.00 0.00 61.98 62.23 2nw2 s VAL 114 Cb -0.16 -3.58 -0.06 0.00 0.00 0.00 0.00 36.38 32.58 2nw2 s VAL 114 CO 0.07 0.30 0.51 -1.00 0.00 0.00 0.00 175.10 174.98 2nw2 s HIS 115 N 1.21 3.72 0.56 5.22 3.76 0.85 -4.90 115.29 125.71 2nw2 s HIS 115 Ca 0.11 1.11 -0.17 0.00 -0.15 0.00 0.00 55.06 55.97 2nw2 s HIS 115 Cb -0.14 -2.46 -0.05 0.00 1.11 0.00 0.00 32.58 31.04 2nw2 s HIS 115 CO 0.06 0.50 1.05 -1.25 -0.85 0.00 0.00 174.74 174.26 2nw2 s PRO 116 N -0.69 3.48 -0.31 8.40 0.04 -1.26 -0.73 135.00 143.93 2nw2 s PRO 116 Ca 0.27 1.25 -0.25 0.00 0.04 0.00 0.00 61.00 62.31 2nw2 s PRO 116 Cb -0.18 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.32 2nw2 s PRO 116 CO 0.16 -0.69 0.89 -0.47 0.04 0.00 0.00 177.00 176.93 2nw2 s TYR 117 N -2.31 3.18 -0.46 0.56 5.04 -1.26 -4.58 117.35 117.53 2nw2 s TYR 117 Ca 0.65 0.94 -0.16 0.00 -2.44 0.00 0.00 57.07 56.05 2nw2 s TYR 117 Cb -0.16 -3.39 0.05 0.00 0.35 0.00 0.00 41.96 38.81 2nw2 s TYR 117 CO 0.32 -0.64 0.42 0.42 -1.34 0.00 0.00 175.55 174.72 2nw2 s ILE 118 N 3.20 5.16 0.09 3.14 -1.09 -1.26 -4.95 121.20 125.50 2nw2 s ILE 118 Ca 0.37 -0.78 -0.16 0.00 -2.23 0.00 0.00 60.65 57.85 2nw2 s ILE 118 Cb -0.13 -4.10 -0.08 0.00 -1.58 0.00 0.00 42.46 36.57 2nw2 s ILE 118 CO 0.14 -0.53 1.44 -0.61 -1.23 0.00 0.00 174.94 174.14 2nw2 h GLN 119 N 8.76 0.63 -2.43 2.79 4.15 -1.95 -3.38 115.11 123.68 2nw2 h GLN 119 Ca -0.28 -0.30 -0.60 0.00 0.77 0.00 0.00 58.65 58.25 2nw2 h GLN 119 Cb 1.11 -0.01 -0.41 0.00 0.21 0.00 0.00 27.48 28.38 2nw2 h GLN 119 CO 0.85 0.89 -0.70 0.09 -1.93 0.00 0.00 178.83 178.03 2nw2 n ASN 120 N -4.37 2.65 -4.74 -0.69 3.02 -1.26 -5.10 115.26 104.77 2nw2 n ASN 120 Ca -0.04 -3.17 -0.40 0.00 -0.03 0.00 0.00 54.58 50.94 2nw2 n ASN 120 Cb 0.40 -0.68 0.03 0.00 -0.61 0.00 0.00 39.78 38.92 2nw2 n ASN 120 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2nw2 n PRO 121 N 1.41 1.95 -2.97 3.52 -0.02 -1.26 -4.96 135.00 132.67 2nw2 n PRO 121 Ca 0.26 0.70 -0.14 0.00 -2.02 0.00 0.00 63.50 62.30 2nw2 n PRO 121 Cb 0.42 -2.55 0.03 0.00 -0.02 0.00 0.00 33.50 31.38 2nw2 n PRO 121 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2nw2 n ASP 122 N -0.40 -0.62 -4.73 2.55 2.03 0.85 -5.03 116.55 111.21 2nw2 n ASP 122 Ca 0.08 -3.32 -0.42 0.00 0.52 0.00 0.00 54.79 51.64 2nw2 n ASP 122 Cb 0.42 0.55 -0.02 0.00 -0.72 0.00 0.00 41.12 41.35 2nw2 n ASP 122 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2nw2 n PRO 123 N 0.31 2.59 -3.59 -0.67 -0.04 -1.18 -4.59 135.00 127.83 2nw2 n PRO 123 Ca 0.16 0.93 -0.15 0.00 -0.04 0.00 0.00 63.50 64.40 2nw2 n PRO 123 Cb 0.68 -2.70 -0.06 0.00 -0.04 0.00 0.00 33.50 31.38 2nw2 n PRO 123 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2nw2 s ALA 124 N 0.22 -1.38 -0.10 0.55 0.00 -0.66 -1.00 121.76 119.39 2nw2 s ALA 124 Ca 0.67 0.77 0.02 0.00 0.00 0.00 0.00 51.96 53.42 2nw2 s ALA 124 Cb -0.53 0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.83 2nw2 s ALA 124 CO 0.45 -0.43 -0.14 0.08 0.00 0.00 0.00 175.76 175.72 2nw2 s VAL 125 N -1.90 1.43 -0.06 0.00 1.01 -0.43 -0.93 120.40 119.52 2nw2 s VAL 125 Ca -0.08 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.33 2nw2 s VAL 125 Cb -0.01 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 35.06 2nw2 s VAL 125 CO 0.03 0.43 -0.17 -0.31 0.00 0.00 0.00 175.10 175.08 2nw2 s TYR 126 N 1.00 1.74 0.06 5.22 2.02 -0.31 -4.25 117.35 122.84 2nw2 s TYR 126 Ca -0.07 -0.57 -0.30 0.00 -0.37 0.00 0.00 57.07 55.76 2nw2 s TYR 126 Cb -0.15 -1.20 -0.05 0.00 -0.40 0.00 0.00 41.96 40.17 2nw2 s TYR 126 CO -0.01 -0.23 1.01 -1.14 -1.57 0.00 0.00 175.55 173.61 2nw2 s GLN 127 N 0.25 4.60 0.06 -0.62 0.74 -1.26 -0.44 119.66 122.99 2nw2 s GLN 127 Ca -0.09 1.50 0.05 0.00 0.05 0.00 0.00 55.36 56.87 2nw2 s GLN 127 Cb -0.14 -3.40 -0.03 0.00 1.10 0.00 0.00 33.01 30.55 2nw2 s GLN 127 CO 0.03 0.03 -0.14 -0.51 -0.55 0.00 0.00 175.29 174.16 2nw2 s LEU 128 N 0.54 2.24 -0.03 3.68 1.02 -0.55 -5.00 118.68 120.57 2nw2 s LEU 128 Ca 0.51 -0.55 0.03 0.00 0.02 0.00 0.00 54.13 54.14 2nw2 s LEU 128 Cb -0.24 -0.52 0.00 0.00 0.02 0.00 0.00 46.19 45.46 2nw2 s LEU 128 CO 0.29 -0.05 -0.12 -0.13 0.02 0.00 0.00 176.35 176.37 2nw2 s ARG 129 N -1.51 1.24 -0.16 1.70 1.81 -1.26 -0.91 118.95 119.86 2nw2 s ARG 129 Ca -0.01 -0.42 -0.40 0.00 -1.72 0.00 0.00 55.73 53.18 2nw2 s ARG 129 Cb -0.09 -1.13 -0.17 0.00 -0.45 0.00 0.00 34.95 33.11 2nw2 s ARG 129 CO 0.02 0.17 1.48 -3.47 -0.68 0.00 0.00 175.30 172.82 2nw2 n ASP 130 N 3.21 1.54 0.00 0.23 -0.08 0.52 -4.94 116.55 117.03 2nw2 n ASP 130 Ca -0.18 1.12 0.00 0.00 -1.51 0.00 0.00 54.79 54.22 2nw2 n ASP 130 Cb 0.54 -1.07 0.00 0.00 2.34 0.00 0.00 41.12 42.93 2nw2 n ASP 130 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2nw2 n SER 131 N 3.61 0.00 -2.08 1.67 2.88 -1.26 -5.06 113.62 113.37 2nw2 n SER 131 Ca 0.24 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.74 2nw2 n SER 131 Cb 0.10 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.63 2nw2 n SER 131 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2nw2 n LYS 132 N 0.00 0.89 0.00 -1.46 0.00 -1.26 -5.28 118.16 111.04 2nw2 n LYS 132 Ca 0.00 -1.11 0.00 0.00 -0.00 0.00 0.00 58.31 57.20 2nw2 n LYS 132 Cb 0.00 0.45 0.00 0.00 -0.00 0.00 0.00 35.03 35.48 2nw2 n LYS 132 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2nw2 n ASP 135 N -1.01 0.00 0.00 -5.58 8.00 -1.26 -5.30 116.55 111.40 2nw2 n ASP 135 Ca -0.21 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.29 2nw2 n ASP 135 Cb 0.81 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.91 2nw2 n ASP 135 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 2nw2 n LYS 136 N -0.25 0.00 -4.09 -1.24 2.85 -1.26 -5.10 118.16 109.06 2nw2 n LYS 136 Ca 0.00 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.18 2nw2 n LYS 136 Cb 0.00 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 2nw2 n LYS 136 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2nw2 s SER 137 N 0.00 0.41 0.15 -5.58 1.04 -1.26 -0.36 113.70 108.11 2nw2 s SER 137 Ca 0.00 -1.04 0.05 0.00 0.48 0.00 0.00 55.95 55.44 2nw2 s SER 137 Cb 0.00 0.24 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 2nw2 s SER 137 CO 0.00 -0.65 -0.11 0.68 0.98 0.00 0.00 173.24 174.14 2nw2 s VAL 138 N -3.96 1.29 -0.14 5.02 -7.23 -0.09 -4.71 120.40 110.58 2nw2 s VAL 138 Ca 0.12 -2.04 -0.03 0.00 -1.81 0.00 0.00 61.98 58.22 2nw2 s VAL 138 Cb 0.08 -1.84 -0.03 0.00 0.56 0.00 0.00 36.38 35.15 2nw2 s VAL 138 CO -0.06 -0.68 -0.04 0.00 -0.31 0.00 0.00 175.10 174.00 2nw2 s LEU 140 N 0.22 3.21 -0.27 0.00 2.96 0.42 -0.60 118.68 124.62 2nw2 s LEU 140 Ca -0.03 -0.92 -0.14 0.00 -0.22 0.00 0.00 54.13 52.82 2nw2 s LEU 140 Cb -0.14 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 2nw2 s LEU 140 CO 0.03 -0.14 0.31 0.12 -1.32 0.00 0.00 176.35 175.36 2nw2 s PHE 141 N 1.30 3.25 0.07 5.38 5.36 -0.37 -1.16 117.98 131.81 2nw2 s PHE 141 Ca -0.01 0.34 -0.06 0.00 -0.96 0.00 0.00 56.93 56.24 2nw2 s PHE 141 Cb -0.17 -2.50 -0.01 0.00 -0.34 0.00 0.00 43.02 40.00 2nw2 s PHE 141 CO -0.05 -0.18 0.13 -0.08 -1.46 0.00 0.00 175.22 173.58 2nw2 s THR 142 N 1.88 0.16 -0.40 0.12 -1.32 -0.11 -0.94 115.64 115.03 2nw2 s THR 142 Ca 0.13 -1.29 0.00 0.00 -1.21 0.00 0.00 61.69 59.31 2nw2 s THR 142 Cb -0.16 -1.29 0.00 0.00 -1.51 0.00 0.00 72.50 69.55 2nw2 s THR 142 CO 0.10 -0.71 0.00 0.47 -2.21 0.00 0.00 174.62 172.26 2nw2 n ASP 143 N 0.15 -3.66 -4.87 8.08 8.00 -0.38 -1.65 116.55 122.21 2nw2 n ASP 143 Ca -0.16 0.09 -0.31 0.00 0.71 0.00 0.00 54.79 55.13 2nw2 n ASP 143 Cb 0.61 -1.49 -0.01 0.00 -0.02 0.00 0.00 41.12 40.21 2nw2 n ASP 143 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2nw2 s PHE 144 N -2.07 3.54 0.74 1.24 -0.12 -1.26 -0.11 117.98 119.94 2nw2 s PHE 144 Ca 0.00 1.23 -0.12 0.00 -0.05 0.00 0.00 56.93 57.99 2nw2 s PHE 144 Cb 0.00 -2.63 0.04 0.00 -0.63 0.00 0.00 43.02 39.79 2nw2 s PHE 144 CO 0.00 -0.43 1.10 0.16 -0.05 0.00 0.00 175.22 175.99 2nw2 s ASP 145 N -3.66 4.71 0.24 1.98 -4.77 -1.26 -4.49 116.67 109.41 2nw2 s ASP 145 Ca 0.54 1.88 0.23 0.00 -3.30 0.00 0.00 52.55 51.90 2nw2 s ASP 145 Cb -0.10 -2.53 0.95 0.00 -1.09 0.00 0.00 42.92 40.15 2nw2 s ASP 145 CO 0.42 -1.90 1.71 -1.20 0.70 0.00 0.00 175.17 174.89 2nw2 n SER 146 N -3.17 0.65 0.17 2.11 7.64 -1.26 -2.17 113.62 117.58 2nw2 n SER 146 Ca 0.09 0.65 0.13 0.00 1.01 0.00 0.00 58.87 60.76 2nw2 n SER 146 Cb 0.53 -0.79 0.50 0.00 -1.01 0.00 0.00 64.21 63.44 2nw2 n SER 146 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2nw2 h GLN 147 N 0.00 0.00 -6.48 1.43 1.08 -1.94 -3.45 115.11 105.76 2nw2 h GLN 147 Ca 0.00 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.67 2nw2 h GLN 147 Cb 0.39 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.83 2nw2 h GLN 147 CO 0.00 0.00 0.71 0.99 -0.95 0.00 0.00 178.83 179.58 2nw2 s THR 148 N -3.36 3.64 -0.15 -0.54 2.01 -0.92 -5.02 115.64 111.31 2nw2 s THR 148 Ca 0.05 1.14 -0.06 0.00 0.31 0.00 0.00 61.69 63.13 2nw2 s THR 148 Cb 0.09 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 2nw2 s THR 148 CO 0.48 0.06 0.06 0.20 -0.69 0.00 0.00 174.62 174.73 2nw2 s ASN 149 N 1.31 5.63 -0.34 3.53 0.01 -1.26 -5.03 114.94 118.79 2nw2 s ASN 149 Ca 0.62 0.15 -0.07 0.00 -0.71 0.00 0.00 52.86 52.86 2nw2 s ASN 149 Cb -0.33 -1.85 0.03 0.00 0.41 0.00 0.00 41.25 39.51 2nw2 s ASN 149 CO 0.29 0.27 0.11 -0.69 -1.51 0.00 0.00 177.10 175.56 2nw2 s VAL 150 N -0.18 3.91 0.20 1.60 1.01 -1.26 -4.29 120.40 121.39 2nw2 s VAL 150 Ca 0.07 -1.02 -0.30 0.00 0.00 0.00 0.00 61.98 60.73 2nw2 s VAL 150 Cb -0.12 -3.17 -0.09 0.00 0.00 0.00 0.00 36.38 33.00 2nw2 s VAL 150 CO 0.01 -0.14 1.35 -0.44 0.00 0.00 0.00 175.10 175.88 2nw2 s SER 151 N 1.44 6.83 0.00 3.32 0.01 -1.26 -4.91 113.70 119.13 2nw2 s SER 151 Ca -0.01 2.46 0.00 0.00 1.31 0.00 0.00 55.95 59.71 2nw2 s SER 151 Cb -0.19 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.43 2nw2 s SER 151 CO 0.03 -0.58 0.00 0.00 0.41 0.00 0.00 173.24 173.10 2nw2 n GLN 152 N 2.67 -0.17 -2.29 12.44 1.13 -1.26 -4.77 117.38 125.13 2nw2 n GLN 152 Ca 0.07 0.16 -0.32 0.00 -1.94 0.00 0.00 57.00 54.96 2nw2 n GLN 152 Cb 0.42 -0.36 -0.02 0.00 0.11 0.00 0.00 30.24 30.39 2nw2 n GLN 152 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2nw2 s SER 153 N 0.00 6.42 0.00 1.08 0.01 -1.26 -4.92 113.70 115.03 2nw2 s SER 153 Ca 0.00 1.61 0.00 0.00 1.31 0.00 0.00 55.95 58.87 2nw2 s SER 153 Cb 0.00 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2nw2 s SER 153 CO 0.00 -0.73 0.59 0.29 0.41 0.00 0.00 173.24 173.80 2nw2 n LYS 154 N -1.74 0.00 -2.60 12.44 4.76 -1.26 -4.75 118.16 125.02 2nw2 n LYS 154 Ca 0.07 0.42 -0.35 0.00 -2.87 0.00 0.00 58.31 55.58 2nw2 n LYS 154 Cb 0.54 -1.24 -0.04 0.00 -1.84 0.00 0.00 35.03 32.44 2nw2 n LYS 154 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 2nw2 s ASP 155 N -2.25 6.70 0.00 4.39 -4.77 -1.26 -4.98 116.67 114.51 2nw2 s ASP 155 Ca 0.00 1.95 0.00 0.00 -3.30 0.00 0.00 52.55 51.20 2nw2 s ASP 155 Cb 0.00 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.26 2nw2 s ASP 155 CO 0.00 -0.53 0.00 -1.20 0.70 0.00 0.00 175.17 174.14 2nw2 n SER 156 N -0.36 0.00 -0.02 2.11 7.64 -1.26 -3.28 113.62 118.45 2nw2 n SER 156 Ca 0.06 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.06 2nw2 n SER 156 Cb 0.51 0.00 0.22 0.00 -1.01 0.00 0.00 64.21 63.93 2nw2 n SER 156 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2nw2 n ASP 157 N 4.28 0.58 -4.33 6.43 8.00 -1.26 -4.92 116.55 125.34 2nw2 n ASP 157 Ca 0.00 -0.36 -0.30 0.00 0.71 0.00 0.00 54.79 54.84 2nw2 n ASP 157 Cb 0.00 0.31 -0.15 0.00 -0.02 0.00 0.00 41.12 41.26 2nw2 n ASP 157 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2nw2 s VAL 158 N -2.97 2.07 -0.08 2.53 -7.23 -1.21 -3.74 120.40 109.77 2nw2 s VAL 158 Ca 0.11 -1.32 0.03 0.00 -1.81 0.00 0.00 61.98 59.00 2nw2 s VAL 158 Cb 0.17 -1.76 -0.02 0.00 0.56 0.00 0.00 36.38 35.33 2nw2 s VAL 158 CO 0.71 0.39 -0.16 -0.31 -0.31 0.00 0.00 175.10 175.41 2nw2 s TYR 159 N -0.77 2.69 -0.09 2.82 2.02 0.66 -4.80 117.35 119.88 2nw2 s TYR 159 Ca 0.11 -0.41 -0.01 0.00 -0.37 0.00 0.00 57.07 56.39 2nw2 s TYR 159 Cb -0.10 -1.69 0.03 0.00 -0.40 0.00 0.00 41.96 39.80 2nw2 s TYR 159 CO 0.01 -0.01 -0.03 0.42 -1.57 0.00 0.00 175.55 174.38 2nw2 s ILE 160 N -0.29 0.63 0.79 2.71 1.01 -1.26 -1.42 121.20 123.37 2nw2 s ILE 160 Ca 0.02 -0.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.52 2nw2 s ILE 160 Cb -0.13 -0.73 0.06 0.00 0.01 0.00 0.00 42.46 41.68 2nw2 s ILE 160 CO 0.03 0.30 1.10 0.42 0.00 0.00 0.00 174.94 176.78 2nw2 s THR 161 N 1.85 3.13 0.96 2.92 -4.23 -0.21 -4.39 115.64 115.67 2nw2 s THR 161 Ca 0.05 0.37 -0.12 0.00 -1.18 0.00 0.00 61.69 60.80 2nw2 s THR 161 Cb -0.12 -3.12 0.17 0.00 1.34 0.00 0.00 72.50 70.76 2nw2 s THR 161 CO -0.06 -0.48 1.10 -0.62 -0.54 0.00 0.00 174.62 174.02 2nw2 s ASP 162 N -3.92 2.96 0.62 3.99 -1.08 -1.26 -4.57 116.67 113.41 2nw2 s ASP 162 Ca 0.61 1.22 -0.16 0.00 -0.52 0.00 0.00 52.55 53.69 2nw2 s ASP 162 Cb -0.14 -1.88 -0.02 0.00 -1.46 0.00 0.00 42.92 39.42 2nw2 s ASP 162 CO 0.54 -2.93 1.10 -1.59 0.52 0.00 0.00 175.17 172.81 2nw2 s LYS 163 N -5.01 3.06 -0.02 4.34 -2.85 -1.26 -4.60 119.74 113.41 2nw2 s LYS 163 Ca 0.65 1.39 -0.01 0.00 -1.00 0.00 0.00 55.97 57.00 2nw2 s LYS 163 Cb -0.18 -1.99 0.02 0.00 -2.06 0.00 0.00 37.83 33.62 2nw2 s LYS 163 CO 0.57 -1.04 0.04 0.00 0.10 0.00 0.00 175.35 175.01 2nw2 s VAL 165 N 0.49 4.80 0.10 0.00 1.01 -1.26 -1.37 120.40 124.16 2nw2 s VAL 165 Ca -0.04 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 61.97 2nw2 s VAL 165 Cb -0.06 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 2nw2 s VAL 165 CO -0.02 0.35 0.05 -1.48 0.00 0.00 0.00 175.10 174.00 2nw2 s LEU 166 N 1.28 3.65 -0.24 3.92 0.05 -0.39 0.45 118.68 127.39 2nw2 s LEU 166 Ca 0.06 -0.10 0.00 0.00 0.05 0.00 0.00 54.13 54.14 2nw2 s LEU 166 Cb -0.14 -2.35 0.07 0.00 -2.05 0.00 0.00 46.19 41.72 2nw2 s LEU 166 CO 0.05 0.16 -0.01 -0.62 -0.55 0.00 0.00 176.35 175.37 2nw2 s ASP 167 N -2.45 3.79 -0.97 1.48 -1.08 -1.25 -1.47 116.67 114.72 2nw2 s ASP 167 Ca 0.28 -1.25 -0.22 0.00 -0.52 0.00 0.00 52.55 50.85 2nw2 s ASP 167 Cb -0.12 -1.08 0.08 0.00 -1.46 0.00 0.00 42.92 40.34 2nw2 s ASP 167 CO 0.21 -0.28 1.32 -0.04 0.52 0.00 0.00 175.17 176.90 2nw2 s MET 168 N 1.46 3.56 0.21 4.34 -1.94 0.80 -4.88 119.30 122.85 2nw2 s MET 168 Ca -0.02 -1.28 -0.10 0.00 -1.71 0.00 0.00 55.69 52.57 2nw2 s MET 168 Cb -0.18 -5.13 0.16 0.00 2.01 0.00 0.00 34.83 31.68 2nw2 s MET 168 CO -0.09 -2.05 1.87 0.00 -0.01 0.00 0.00 175.02 174.74 2nw2 h ARG 169 N 9.49 0.93 0.00 2.03 3.08 -1.97 -1.86 114.38 126.08 2nw2 h ARG 169 Ca 0.15 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.06 2nw2 h ARG 169 Cb 1.02 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 2nw2 h ARG 169 CO 1.31 0.62 -0.38 0.66 -1.07 0.00 0.00 179.97 181.11 2nw2 h SER 170 N 0.96 0.00 0.09 7.04 4.64 -1.96 -2.43 113.55 121.89 2nw2 h SER 170 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2nw2 h SER 170 Cb -0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 2nw2 h SER 170 CO -0.07 0.38 -0.10 0.23 -0.87 0.00 0.00 176.83 176.40 2nw2 n MET 171 N -3.77 1.32 -3.98 4.77 2.81 -0.77 -4.96 117.12 112.55 2nw2 n MET 171 Ca -0.01 -0.75 -0.27 0.00 -1.81 0.00 0.00 57.70 54.85 2nw2 n MET 171 Cb 0.46 -1.48 -0.02 0.00 -0.71 0.00 0.00 33.22 31.47 2nw2 n MET 171 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2nw2 n ASP 172 N -0.18 -1.07 -3.90 7.83 2.03 -0.78 -4.96 116.55 115.52 2nw2 n ASP 172 Ca 0.16 -0.98 -0.25 0.00 0.52 0.00 0.00 54.79 54.24 2nw2 n ASP 172 Cb 0.35 -3.12 -0.17 0.00 -0.72 0.00 0.00 41.12 37.46 2nw2 n ASP 172 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2nw2 s PHE 173 N -3.81 1.23 0.08 -0.67 5.36 -1.01 -5.02 117.98 114.14 2nw2 s PHE 173 Ca 0.15 -0.53 0.06 0.00 -0.96 0.00 0.00 56.93 55.65 2nw2 s PHE 173 Cb -0.08 -1.05 -0.04 0.00 -0.34 0.00 0.00 43.02 41.51 2nw2 s PHE 173 CO 0.89 -0.40 -0.09 0.15 -1.46 0.00 0.00 175.22 174.31 2nw2 s LYS 174 N 1.48 2.25 -0.06 10.12 1.02 -1.26 -0.14 119.74 133.15 2nw2 s LYS 174 Ca -0.00 -0.94 -0.10 0.00 0.02 0.00 0.00 55.97 54.95 2nw2 s LYS 174 Cb -0.13 -2.36 0.02 0.00 -0.52 0.00 0.00 37.83 34.83 2nw2 s LYS 174 CO -0.05 0.53 0.24 -1.54 -0.92 0.00 0.00 175.35 173.61 2nw2 s SER 175 N -2.02 -0.18 0.29 2.83 1.04 -0.54 -4.95 113.70 110.17 2nw2 s SER 175 Ca 0.21 0.26 -0.13 0.00 0.48 0.00 0.00 55.95 56.76 2nw2 s SER 175 Cb -0.11 0.40 -0.08 0.00 0.10 0.00 0.00 66.02 66.33 2nw2 s SER 175 CO 0.13 -0.22 0.68 0.20 0.98 0.00 0.00 173.24 175.00 2nw2 s ASN 176 N -0.50 6.73 0.15 7.02 0.01 -1.26 -1.26 114.94 125.82 2nw2 s ASN 176 Ca -0.06 1.17 -0.17 0.00 -0.71 0.00 0.00 52.86 53.09 2nw2 s ASN 176 Cb -0.04 -2.33 0.04 0.00 0.41 0.00 0.00 41.25 39.33 2nw2 s ASN 176 CO 0.01 -0.16 0.46 -0.94 -1.51 0.00 0.00 177.10 174.96 2nw2 s SER 177 N -2.29 -0.28 0.03 -1.22 1.04 -0.47 -1.25 113.70 109.26 2nw2 s SER 177 Ca 0.52 -0.33 -0.02 0.00 0.48 0.00 0.00 55.95 56.60 2nw2 s SER 177 Cb -0.11 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.51 2nw2 s SER 177 CO 0.19 -0.92 0.01 0.00 0.98 0.00 0.00 173.24 173.49 2nw2 s ALA 178 N -3.82 0.12 -0.01 5.32 0.00 -0.11 -0.91 121.76 122.35 2nw2 s ALA 178 Ca 0.05 -0.66 0.07 0.00 0.00 0.00 0.00 51.96 51.42 2nw2 s ALA 178 Cb 0.01 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.29 2nw2 s ALA 178 CO -0.10 -0.23 -0.24 0.08 0.00 0.00 0.00 175.76 175.28 2nw2 s VAL 179 N -2.13 2.28 0.03 0.00 1.01 -1.26 -1.24 120.40 119.09 2nw2 s VAL 179 Ca -0.10 -1.09 0.03 0.00 0.00 0.00 0.00 61.98 60.83 2nw2 s VAL 179 Cb -0.05 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 2nw2 s VAL 179 CO -0.03 0.54 -0.10 0.00 0.00 0.00 0.00 175.10 175.51 2nw2 s ALA 180 N -0.68 0.80 0.25 5.51 0.00 0.23 -1.05 121.76 126.83 2nw2 s ALA 180 Ca 0.11 -0.65 -0.19 0.00 0.00 0.00 0.00 51.96 51.23 2nw2 s ALA 180 Cb -0.10 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.94 2nw2 s ALA 180 CO 0.00 0.12 0.63 1.67 0.00 0.00 0.00 175.76 178.18 2nw2 s TRP 181 N -0.81 -0.07 0.07 0.00 -2.14 -0.51 -0.11 118.94 115.36 2nw2 s TRP 181 Ca -0.02 -0.33 -0.14 0.00 2.66 0.00 0.00 56.10 58.27 2nw2 s TRP 181 Cb -0.07 0.54 0.02 0.00 -3.10 0.00 0.00 33.47 30.86 2nw2 s TRP 181 CO 0.01 -1.12 0.32 0.45 -2.66 0.00 0.00 176.95 173.95 2nw2 s SER 182 N -2.93 -0.13 0.24 -2.66 0.15 -1.26 -0.25 113.70 106.87 2nw2 s SER 182 Ca 0.13 -0.26 0.23 0.00 0.70 0.00 0.00 55.95 56.74 2nw2 s SER 182 Cb -0.04 0.39 0.09 0.00 -1.71 0.00 0.00 66.02 64.75 2nw2 s SER 182 CO 0.05 -0.68 1.17 0.78 1.20 0.00 0.00 173.24 175.76 2nw2 h ASN 183 N 2.96 0.00 -4.24 5.45 -0.26 -1.98 -3.47 115.58 114.04 2nw2 h ASN 183 Ca -0.32 -0.02 -0.50 0.00 -0.56 0.00 0.00 56.30 54.90 2nw2 h ASN 183 Cb 1.21 0.00 0.08 0.00 -1.06 0.00 0.00 38.32 38.55 2nw2 h ASN 183 CO 0.47 0.01 0.37 -0.75 -1.06 0.00 0.00 177.43 176.47 2nw2 s LYS 184 N -3.32 3.05 0.15 0.81 2.20 -1.26 -4.99 119.74 116.37 2nw2 s LYS 184 Ca 0.01 1.18 -0.02 0.00 -0.36 0.00 0.00 55.97 56.78 2nw2 s LYS 184 Cb 0.09 -2.00 -0.02 0.00 -1.51 0.00 0.00 37.83 34.40 2nw2 s LYS 184 CO 0.76 -1.03 1.37 0.66 -0.36 0.00 0.00 175.35 176.75 2nw2 h SER 185 N -0.03 0.49 0.61 1.43 4.64 -2.00 -3.32 113.55 115.36 2nw2 h SER 185 Ca -0.46 -0.36 -0.04 0.00 -0.47 0.00 0.00 61.79 60.46 2nw2 h SER 185 Cb 1.22 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 2nw2 h SER 185 CO 0.56 1.13 -0.20 0.44 -0.87 0.00 0.00 176.83 177.89 2nw2 h ASP 186 N 0.24 0.00 -2.84 4.97 3.45 -2.00 -3.46 116.42 116.78 2nw2 h ASP 186 Ca -0.05 0.00 -0.56 0.00 0.43 0.00 0.00 57.03 56.84 2nw2 h ASP 186 Cb 1.45 0.00 0.08 0.00 -0.56 0.00 0.00 39.33 40.30 2nw2 h ASP 186 CO 0.14 0.20 0.73 0.33 -1.57 0.00 0.00 179.24 179.07 2nw2 n PHE 187 N -3.57 2.42 -3.99 4.55 -0.00 -1.25 -5.03 117.46 110.58 2nw2 n PHE 187 Ca -0.01 0.35 -0.10 0.00 -0.00 0.00 0.00 57.45 57.69 2nw2 n PHE 187 Cb 0.34 -2.52 -0.11 0.00 -0.00 0.00 0.00 39.48 37.19 2nw2 n PHE 187 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2nw2 s ALA 188 N 0.07 0.21 0.36 3.13 0.00 -1.26 -5.05 121.76 119.22 2nw2 s ALA 188 Ca 0.68 -0.57 0.19 0.00 0.00 0.00 0.00 51.96 52.25 2nw2 s ALA 188 Cb -0.60 0.11 0.99 0.00 0.00 0.00 0.00 23.12 23.63 2nw2 s ALA 188 CO 0.48 -0.11 1.92 0.00 0.00 0.00 0.00 175.76 178.04 2nw2 h ALA 190 N 1.74 1.79 -0.01 0.00 0.00 -1.96 -2.89 119.26 117.92 2nw2 h ALA 190 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2nw2 h ALA 190 Cb 0.54 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2nw2 h ALA 190 CO 0.03 0.16 -0.21 0.27 0.00 0.00 0.00 179.25 179.51 2nw2 n ASN 191 N -4.47 1.87 -0.20 0.00 6.94 -1.00 -4.73 115.26 113.67 2nw2 n ASN 191 Ca 0.05 -1.44 0.00 0.00 -0.02 0.00 0.00 54.58 53.18 2nw2 n ASN 191 Cb 0.15 0.30 0.11 0.00 -2.36 0.00 0.00 39.78 37.97 2nw2 n ASN 191 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2nw2 h ALA 192 N 2.89 0.78 -0.78 -2.53 0.00 -1.09 -2.24 119.26 116.29 2nw2 h ALA 192 Ca 0.00 0.09 -0.40 0.00 0.00 0.00 0.00 54.91 54.60 2nw2 h ALA 192 Cb 0.59 0.08 -0.24 0.00 0.00 0.00 0.00 17.79 18.21 2nw2 h ALA 192 CO 0.00 -0.22 0.40 1.19 0.00 0.00 0.00 179.25 180.63 2nw2 n PHE 193 N -5.02 2.40 -0.31 0.00 3.01 -1.26 -4.72 117.46 111.56 2nw2 n PHE 193 Ca 0.09 -1.77 -0.01 0.00 1.01 0.00 0.00 57.45 56.77 2nw2 n PHE 193 Cb 0.29 -0.80 0.12 0.00 -0.01 0.00 0.00 39.48 39.08 2nw2 n PHE 193 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 2nw2 h ASN 194 N 1.01 0.90 0.00 4.37 2.35 -1.72 -1.85 115.58 120.64 2nw2 h ASN 194 Ca 0.50 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.25 2nw2 h ASN 194 Cb 2.47 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 40.64 2nw2 h ASN 194 CO 0.86 0.61 0.00 -0.46 -1.65 0.00 0.00 177.43 176.79 2nw2 n ASN 195 N -4.56 0.00 -4.73 5.81 6.94 -1.26 -4.72 115.26 112.73 2nw2 n ASN 195 Ca 0.11 -1.77 -0.31 0.00 -0.02 0.00 0.00 54.58 52.59 2nw2 n ASN 195 Cb 0.11 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.45 2nw2 n ASN 195 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 2nw2 s SER 196 N -1.19 5.34 -0.63 0.53 0.01 -0.70 -4.63 113.70 112.42 2nw2 s SER 196 Ca 0.07 -0.03 -0.24 0.00 1.31 0.00 0.00 55.95 57.06 2nw2 s SER 196 Cb 0.03 -1.40 0.05 0.00 0.21 0.00 0.00 66.02 64.91 2nw2 s SER 196 CO 0.05 0.21 1.02 -0.63 0.41 0.00 0.00 173.24 174.30 2nw2 s ILE 197 N -1.28 4.23 0.21 1.44 1.01 -1.26 -5.03 121.20 120.52 2nw2 s ILE 197 Ca 0.25 0.02 0.07 0.00 0.00 0.00 0.00 60.65 60.99 2nw2 s ILE 197 Cb -0.12 -4.68 -0.04 0.00 0.01 0.00 0.00 42.46 37.63 2nw2 s ILE 197 CO 0.17 -1.41 0.07 0.27 0.00 0.00 0.00 174.94 174.05 2nw2 s ILE 198 N 4.34 4.00 0.35 2.92 -4.36 -1.26 -4.48 121.20 122.70 2nw2 s ILE 198 Ca 0.28 -1.43 -0.28 0.00 -0.26 0.00 0.00 60.65 58.95 2nw2 s ILE 198 Cb -0.14 -3.07 -0.12 0.00 1.25 0.00 0.00 42.46 40.38 2nw2 s ILE 198 CO 0.14 -0.21 1.30 -2.65 0.24 0.00 0.00 174.94 173.77 2nw2 n PRO 199 N -0.54 2.16 0.26 0.37 -0.02 -1.26 -4.85 135.00 131.13 2nw2 n PRO 199 Ca -0.08 0.76 0.18 0.00 -2.02 0.00 0.00 63.50 62.33 2nw2 n PRO 199 Cb 0.56 -2.36 0.94 0.00 -0.02 0.00 0.00 33.50 32.62 2nw2 n PRO 199 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2nw2 h GLU 200 N 2.55 0.00 0.00 -0.52 3.07 -2.02 -3.00 114.58 114.66 2nw2 h GLU 200 Ca -0.47 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.37 2nw2 h GLU 200 Cb 1.28 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.14 2nw2 h GLU 200 CO 0.62 0.00 -0.38 -0.40 -1.40 0.00 0.00 179.01 177.45 2nw2 n ASP 201 N -2.75 1.37 0.00 1.42 5.75 -1.26 -4.96 116.55 116.12 2nw2 n ASP 201 Ca -0.02 -2.78 0.00 0.00 -0.01 0.00 0.00 54.79 51.98 2nw2 n ASP 201 Cb 0.07 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 39.80 2nw2 n ASP 201 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 2nw2 n THR 202 N -0.70 0.00 -2.78 2.12 -1.04 -1.14 -4.78 114.28 105.97 2nw2 n THR 202 Ca 0.11 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.69 2nw2 n THR 202 Cb 0.74 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.21 2nw2 n THR 202 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2nw2 s PHE 203 N 0.00 3.22 -0.52 -1.42 5.36 -0.17 -4.94 117.98 119.51 2nw2 s PHE 203 Ca 0.00 1.11 -0.00 0.00 -0.96 0.00 0.00 56.93 57.08 2nw2 s PHE 203 Cb 0.00 -3.37 0.14 0.00 -0.34 0.00 0.00 43.02 39.44 2nw2 s PHE 203 CO 0.00 -0.60 0.30 -0.06 -1.46 0.00 0.00 175.22 173.40 2nw2 s PHE 204 N 3.23 3.44 0.62 10.12 0.40 -1.26 -1.32 117.98 133.21 2nw2 s PHE 204 Ca 0.39 -2.79 -0.17 0.00 -0.60 0.00 0.00 56.93 53.76 2nw2 s PHE 204 Cb -0.14 -3.09 -0.02 0.00 0.51 0.00 0.00 43.02 40.29 2nw2 s PHE 204 CO 0.12 -0.86 1.17 -2.14 0.70 0.00 0.00 175.22 174.21 2nw2 s PRO 205 N 0.25 2.85 0.00 0.24 0.02 -1.26 -5.07 135.00 132.03 2nw2 s PRO 205 Ca 0.14 1.67 0.00 0.00 0.02 0.00 0.00 61.00 62.84 2nw2 s PRO 205 Cb -0.22 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.37 2nw2 s PRO 205 CO -0.03 -1.26 0.00 -1.13 -0.33 0.00 0.00 177.00 174.25