#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wn2 n THR 3 N 0.00 1.97 -1.77 6.66 -2.24 -1.26 -5.03 114.28 112.61 2wn2 n THR 3 Ca 0.00 -1.71 -0.41 0.00 -2.27 0.00 0.00 64.05 59.66 2wn2 n THR 3 Cb 0.00 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 2wn2 n THR 3 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2wn2 n GLN 4 N -0.37 2.53 -0.54 -0.78 7.27 -1.26 -2.07 117.38 122.17 2wn2 n GLN 4 Ca 0.18 0.89 0.00 0.00 0.07 0.00 0.00 57.00 58.15 2wn2 n GLN 4 Cb 0.77 -2.64 0.00 0.00 2.41 0.00 0.00 30.24 30.78 2wn2 n GLN 4 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2wn2 n GLY 5 N 0.50 1.83 3.91 1.69 0.00 -1.26 -5.02 105.19 106.84 2wn2 n GLY 5 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2wn2 n GLY 5 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wn2 s LEU 6 N 0.00 4.22 -0.06 0.99 1.43 -0.88 -4.54 118.68 119.84 2wn2 s LEU 6 Ca 0.00 0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 53.31 2wn2 s LEU 6 Cb 0.00 -3.27 -0.02 0.00 0.03 0.00 0.00 46.19 42.93 2wn2 s LEU 6 CO 0.00 -0.03 0.98 -0.69 0.23 0.00 0.00 176.35 176.83 2wn2 s VAL 7 N -1.83 4.84 -0.67 -1.59 1.01 -0.02 -4.86 120.40 117.28 2wn2 s VAL 7 Ca 0.40 2.01 -0.23 0.00 0.00 0.00 0.00 61.98 64.16 2wn2 s VAL 7 Cb -0.11 -4.30 0.07 0.00 0.00 0.00 0.00 36.38 32.03 2wn2 s VAL 7 CO 0.28 0.08 0.99 -1.10 0.00 0.00 0.00 175.10 175.35 2wn2 s GLN 8 N 1.53 3.12 0.08 2.72 -0.21 -1.26 -1.48 119.66 124.16 2wn2 s GLN 8 Ca 0.49 -0.79 -0.26 0.00 0.02 0.00 0.00 55.36 54.82 2wn2 s GLN 8 Cb -0.19 -4.22 -0.16 0.00 1.00 0.00 0.00 33.01 29.43 2wn2 s GLN 8 CO 0.22 -1.84 1.70 -0.07 -2.12 0.00 0.00 175.29 173.18 2wn2 h LEU 9 N 11.49 -0.27 -0.23 2.90 3.38 -1.64 -1.86 115.31 129.07 2wn2 h LEU 9 Ca -0.29 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 2wn2 h LEU 9 Cb 1.07 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2wn2 h LEU 9 CO 1.19 -0.19 0.01 -0.07 0.09 0.00 0.00 178.44 179.47 2wn2 h LEU 10 N -0.31 0.39 -0.89 1.67 4.07 -1.91 -1.13 115.31 117.20 2wn2 h LEU 10 Ca -0.03 -0.29 0.11 0.00 0.08 0.00 0.00 57.88 57.74 2wn2 h LEU 10 Cb 0.24 -0.10 -0.08 0.00 1.08 0.00 0.00 40.66 41.80 2wn2 h LEU 10 CO 0.04 0.59 0.53 0.00 -1.08 0.00 0.00 178.44 178.52 2wn2 h ALA 11 N 0.82 1.31 -0.04 1.53 0.00 -1.91 -0.18 119.26 120.79 2wn2 h ALA 11 Ca 0.07 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2wn2 h ALA 11 Cb 0.38 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2wn2 h ALA 11 CO 0.01 0.14 0.00 0.09 0.00 0.00 0.00 179.25 179.49 2wn2 n ASN 12 N -4.70 0.74 -3.44 0.00 3.02 -0.71 -4.93 115.26 105.23 2wn2 n ASN 12 Ca 0.16 -1.37 -0.25 0.00 -0.03 0.00 0.00 54.58 53.09 2wn2 n ASN 12 Cb 0.31 -0.02 0.05 0.00 -0.61 0.00 0.00 39.78 39.51 2wn2 n ASN 12 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wn2 n ALA 13 N -0.37 -1.16 1.40 5.41 0.00 -0.08 -4.89 120.51 120.81 2wn2 n ALA 13 Ca 0.19 0.29 0.14 0.00 0.00 0.00 0.00 53.44 54.06 2wn2 n ALA 13 Cb 0.21 -4.50 0.54 0.00 0.00 0.00 0.00 19.45 15.70 2wn2 n ALA 13 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wn2 n GLN 14 N -4.49 0.93 -4.10 0.00 1.13 -0.50 -4.92 117.38 105.42 2wn2 n GLN 14 Ca -0.03 -0.43 -0.12 0.00 -1.94 0.00 0.00 57.00 54.47 2wn2 n GLN 14 Cb 0.57 -1.49 -0.11 0.00 0.11 0.00 0.00 30.24 29.32 2wn2 n GLN 14 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wn2 s HIS 16 N -2.08 3.58 -0.19 0.00 2.46 -0.39 -4.85 115.29 113.83 2wn2 s HIS 16 Ca -0.03 1.56 0.00 0.00 0.47 0.00 0.00 55.06 57.06 2wn2 s HIS 16 Cb -0.05 -2.76 0.02 0.00 -0.13 0.00 0.00 32.58 29.65 2wn2 s HIS 16 CO -0.01 0.19 -0.18 -0.51 -2.47 0.00 0.00 174.74 171.76 2wn2 s LEU 17 N -2.31 2.24 -0.07 8.88 1.43 -1.26 -1.08 118.68 126.51 2wn2 s LEU 17 Ca 0.50 -0.63 0.04 0.00 -1.03 0.00 0.00 54.13 53.01 2wn2 s LEU 17 Cb -0.15 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.54 2wn2 s LEU 17 CO 0.20 -0.01 -0.18 -0.60 0.23 0.00 0.00 176.35 176.00 2wn2 s ARG 18 N 1.31 2.68 0.23 1.70 3.52 -0.16 -4.97 118.95 123.26 2wn2 s ARG 18 Ca 0.05 -0.77 0.11 0.00 -0.13 0.00 0.00 55.73 54.99 2wn2 s ARG 18 Cb -0.13 -2.35 -0.05 0.00 -1.56 0.00 0.00 34.95 30.86 2wn2 s ARG 18 CO -0.12 0.46 -0.17 0.95 -0.81 0.00 0.00 175.30 175.61 2wn2 s THR 19 N -0.33 2.68 0.02 4.11 -4.23 -1.26 0.29 115.64 116.91 2wn2 s THR 19 Ca 0.02 -2.10 -0.25 0.00 -1.18 0.00 0.00 61.69 58.18 2wn2 s THR 19 Cb -0.13 -2.36 -0.17 0.00 1.34 0.00 0.00 72.50 71.18 2wn2 s THR 19 CO 0.02 -0.26 1.37 0.77 -0.54 0.00 0.00 174.62 175.98 2wn2 h SER 20 N 2.63 -0.25 -5.06 3.99 4.64 -1.60 -3.47 113.55 114.44 2wn2 h SER 20 Ca -0.44 -0.19 -0.09 0.00 -0.47 0.00 0.00 61.79 60.61 2wn2 h SER 20 Cb 1.23 0.06 -0.16 0.00 -0.31 0.00 0.00 62.40 63.22 2wn2 h SER 20 CO 0.55 0.06 -0.21 0.42 -0.87 0.00 0.00 176.83 176.79 2wn2 s THR 21 N -4.97 0.08 -0.09 2.95 -4.23 -1.26 -5.03 115.64 103.09 2wn2 s THR 21 Ca -0.15 -0.65 0.03 0.00 -1.18 0.00 0.00 61.69 59.75 2wn2 s THR 21 Cb 0.03 -0.99 0.01 0.00 1.34 0.00 0.00 72.50 72.89 2wn2 s THR 21 CO 0.60 -0.36 -0.19 0.20 -0.54 0.00 0.00 174.62 174.33 2wn2 s ASN 22 N -2.17 2.56 0.20 3.99 0.01 -1.26 -4.03 114.94 114.24 2wn2 s ASN 22 Ca -0.04 -0.46 -0.16 0.00 -0.71 0.00 0.00 52.86 51.49 2wn2 s ASN 22 Cb -0.00 -1.17 0.19 0.00 0.41 0.00 0.00 41.25 40.67 2wn2 s ASN 22 CO -0.04 0.09 1.61 0.22 -1.51 0.00 0.00 177.10 177.47 2wn2 h TYR 23 N 6.97 -0.54 -1.43 2.20 3.20 -0.93 -3.38 116.97 123.04 2wn2 h TYR 23 Ca -0.26 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.67 2wn2 h TYR 23 Cb 1.21 0.33 0.00 0.00 1.54 0.00 0.00 36.73 39.81 2wn2 h TYR 23 CO 0.48 -0.31 0.00 0.27 -1.64 0.00 0.00 178.16 176.95 2wn2 n ASN 24 N -5.43 0.00 0.00 -2.11 0.23 -1.26 -4.81 115.26 101.88 2wn2 n ASN 24 Ca 0.06 -0.43 0.11 0.00 -0.53 0.00 0.00 54.58 53.78 2wn2 n ASN 24 Cb 0.34 0.00 0.55 0.00 -2.08 0.00 0.00 39.78 38.58 2wn2 n ASN 24 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wn2 n GLY 25 N 0.00 -1.01 0.41 4.83 0.00 -1.26 -1.98 105.19 106.17 2wn2 n GLY 25 Ca 0.00 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.00 2wn2 n GLY 25 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wn2 n VAL 26 N -1.29 2.07 -1.99 1.61 0.24 -1.26 -4.55 118.33 113.16 2wn2 n VAL 26 Ca 0.10 -2.30 0.03 0.00 -2.04 0.00 0.00 64.34 60.13 2wn2 n VAL 26 Cb 0.18 -0.25 0.12 0.00 -1.47 0.00 0.00 33.84 32.42 2wn2 n VAL 26 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2wn2 n HIS 27 N -1.14 0.24 -2.55 6.34 8.25 -0.84 -2.11 115.22 123.42 2wn2 n HIS 27 Ca 0.19 -1.23 -0.24 0.00 -0.26 0.00 0.00 57.72 56.18 2wn2 n HIS 27 Cb 0.74 -0.22 0.13 0.00 1.12 0.00 0.00 29.99 31.76 2wn2 n HIS 27 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2wn2 n THR 28 N -0.51 0.00 0.18 1.59 -2.24 -1.25 -1.48 114.28 110.57 2wn2 n THR 28 Ca 0.16 -1.52 0.04 0.00 -2.27 0.00 0.00 64.05 60.45 2wn2 n THR 28 Cb 0.87 -0.95 0.18 0.00 -2.10 0.00 0.00 70.33 68.33 2wn2 n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wn2 n GLN 29 N -2.95 0.02 0.32 -0.78 0.00 -1.26 -1.46 117.38 111.27 2wn2 n GLN 29 Ca 0.17 0.44 0.19 0.00 0.00 0.00 0.00 57.00 57.79 2wn2 n GLN 29 Cb 0.59 -1.57 1.07 0.00 0.00 0.00 0.00 30.24 30.34 2wn2 n GLN 29 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.06 177.80 2wn2 h PHE 30 N 0.00 0.00 -0.51 2.61 0.04 -1.95 -2.73 116.94 114.40 2wn2 h PHE 30 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 2wn2 h PHE 30 Cb 0.09 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 2wn2 h PHE 30 CO 0.00 0.00 0.02 0.09 -0.60 0.00 0.00 178.31 177.82 2wn2 n ASN 31 N -3.46 5.21 0.00 2.17 3.02 -0.54 -4.68 115.26 116.99 2wn2 n ASN 31 Ca -0.03 -2.99 0.10 0.00 -0.03 0.00 0.00 54.58 51.63 2wn2 n ASN 31 Cb 0.08 -0.66 -0.06 0.00 -0.61 0.00 0.00 39.78 38.53 2wn2 n ASN 31 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2wn2 n SER 32 N 0.27 0.89 -4.77 6.41 3.41 -1.03 -2.93 113.62 115.87 2wn2 n SER 32 Ca 0.28 -0.85 -0.39 0.00 -0.26 0.00 0.00 58.87 57.64 2wn2 n SER 32 Cb 1.15 0.91 -0.01 0.00 -0.26 0.00 0.00 64.21 65.99 2wn2 n SER 32 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wn2 s ALA 33 N -3.02 3.29 0.21 7.33 0.00 -1.26 -1.04 121.76 127.26 2wn2 s ALA 33 Ca 0.08 1.18 -0.31 0.00 0.00 0.00 0.00 51.96 52.90 2wn2 s ALA 33 Cb 0.16 -3.46 -0.15 0.00 0.00 0.00 0.00 23.12 19.67 2wn2 s ALA 33 CO 0.84 -0.72 1.12 -0.11 0.00 0.00 0.00 175.76 176.90 2wn2 n LEU 34 N 0.27 1.62 -0.13 0.00 7.94 -0.56 -0.77 117.00 125.36 2wn2 n LEU 34 Ca 0.03 1.15 -0.02 0.00 -1.11 0.00 0.00 56.01 56.06 2wn2 n LEU 34 Cb 0.44 -1.24 -0.01 0.00 0.53 0.00 0.00 43.42 43.14 2wn2 n LEU 34 CO 0.55 -1.32 -0.02 0.59 -1.11 0.00 0.00 177.39 176.09 2wn2 n ASN 35 N 1.83 -5.10 -4.67 1.96 3.02 -1.26 -4.95 115.26 106.08 2wn2 n ASN 35 Ca 0.14 0.04 -0.46 0.00 -0.03 0.00 0.00 54.58 54.27 2wn2 n ASN 35 Cb 0.27 -2.75 -0.04 0.00 -0.61 0.00 0.00 39.78 36.64 2wn2 n ASN 35 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wn2 n TYR 36 N -2.32 2.32 -4.35 3.10 4.19 0.05 -5.00 117.16 115.15 2wn2 n TYR 36 Ca -0.02 0.17 -0.19 0.00 3.31 0.00 0.00 57.90 61.18 2wn2 n TYR 36 Cb 0.37 -2.59 -0.14 0.00 0.49 0.00 0.00 39.34 37.48 2wn2 n TYR 36 CO 0.00 0.00 0.00 0.15 0.91 0.00 0.00 176.86 177.92 2wn2 s LYS 37 N 1.81 0.83 0.00 2.98 1.02 -1.26 -4.82 119.74 120.29 2wn2 s LYS 37 Ca 0.82 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 56.24 2wn2 s LYS 37 Cb -0.67 -0.79 0.00 0.00 -0.52 0.00 0.00 37.83 35.85 2wn2 s LYS 37 CO 0.41 0.20 0.00 0.27 -0.92 0.00 0.00 175.35 175.31 2wn2 n ASN 38 N 2.27 1.59 -4.55 2.83 0.23 -1.26 -5.06 115.26 111.31 2wn2 n ASN 38 Ca -0.17 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.46 2wn2 n ASN 38 Cb 0.56 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.22 2wn2 n ASN 38 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 2wn2 s ASN 39 N 1.00 6.36 0.04 0.53 3.84 -1.26 -4.87 114.94 120.57 2wn2 s ASN 39 Ca 0.00 -0.19 0.17 0.00 0.21 0.00 0.00 52.86 53.05 2wn2 s ASN 39 Cb 0.00 -2.51 0.71 0.00 -0.55 0.00 0.00 41.25 38.91 2wn2 s ASN 39 CO 0.00 -1.45 1.53 0.61 -2.79 0.00 0.00 177.10 175.01 2wn2 n GLY 40 N 5.14 -1.08 0.91 1.21 0.00 -1.26 -3.17 105.19 106.94 2wn2 n GLY 40 Ca 0.05 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.15 2wn2 n GLY 40 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wn2 n THR 41 N -1.62 0.00 -3.88 2.61 -2.24 -1.26 -4.85 114.28 103.03 2wn2 n THR 41 Ca 0.04 -0.48 -0.23 0.00 -2.27 0.00 0.00 64.05 61.10 2wn2 n THR 41 Cb 0.19 1.47 -0.17 0.00 -2.10 0.00 0.00 70.33 69.73 2wn2 n THR 41 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2wn2 s ASN 42 N -1.99 1.59 0.50 3.42 3.84 -1.19 -5.03 114.94 116.08 2wn2 s ASN 42 Ca 0.27 -0.14 0.31 0.00 0.21 0.00 0.00 52.86 53.51 2wn2 s ASN 42 Cb 0.19 -0.53 1.19 0.00 -0.55 0.00 0.00 41.25 41.55 2wn2 s ASN 42 CO 0.31 -0.15 1.91 0.71 -2.79 0.00 0.00 177.10 177.09 2wn2 h THR 43 N 6.26 0.00 0.00 -5.21 1.35 -1.89 -3.35 112.91 110.07 2wn2 h THR 43 Ca -0.25 -0.55 -0.04 0.00 -0.55 0.00 0.00 66.41 65.02 2wn2 h THR 43 Cb 1.13 1.52 -0.01 0.00 -1.73 0.00 0.00 68.15 69.07 2wn2 h THR 43 CO 0.33 0.00 -0.17 0.16 -0.25 0.00 0.00 175.52 175.59 2wn2 h ILE 44 N 0.00 0.44 -0.10 6.82 3.07 -1.96 -2.51 117.51 123.27 2wn2 h ILE 44 Ca 0.00 -0.94 0.00 0.00 1.55 0.00 0.00 64.86 65.47 2wn2 h ILE 44 Cb 0.57 1.67 0.00 0.00 -0.27 0.00 0.00 36.82 38.79 2wn2 h ILE 44 CO 0.00 0.17 0.00 -0.90 -1.05 0.00 0.00 178.15 176.37 2wn2 n ASP 45 N -3.35 0.92 0.00 2.16 5.75 -1.26 -4.92 116.55 115.85 2wn2 n ASP 45 Ca 0.00 -1.64 0.00 0.00 -0.01 0.00 0.00 54.79 53.14 2wn2 n ASP 45 Cb 0.39 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 2wn2 n ASP 45 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wn2 n GLY 46 N 0.95 -0.02 3.89 6.12 0.00 -0.95 -4.86 105.19 110.32 2wn2 n GLY 46 Ca 0.14 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 2wn2 n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wn2 s SER 47 N -4.00 6.54 -1.37 1.61 1.04 -0.90 -4.98 113.70 111.64 2wn2 s SER 47 Ca 0.00 0.70 -0.09 0.00 0.48 0.00 0.00 55.95 57.04 2wn2 s SER 47 Cb 0.00 -2.14 0.10 0.00 0.10 0.00 0.00 66.02 64.08 2wn2 s SER 47 CO 0.00 0.01 2.23 -0.62 0.98 0.00 0.00 173.24 175.83 2wn2 n GLU 48 N -0.00 3.75 0.00 4.02 1.02 -1.26 -4.81 120.64 123.36 2wn2 n GLU 48 Ca -0.01 -3.16 0.00 0.00 -0.02 0.00 0.00 57.16 53.97 2wn2 n GLU 48 Cb 0.52 -2.90 0.00 0.00 -0.02 0.00 0.00 31.44 29.04 2wn2 n GLU 48 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wn2 n ALA 49 N 3.67 0.00 -2.67 0.62 0.00 -1.15 -1.52 120.51 119.46 2wn2 n ALA 49 Ca 0.53 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.55 2wn2 n ALA 49 Cb 0.32 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.74 2wn2 n ALA 49 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 2wn2 s TRP 50 N -2.00 3.61 -0.05 0.00 -0.00 -0.35 -4.45 118.94 115.71 2wn2 s TRP 50 Ca 0.00 1.63 0.04 0.00 -0.00 0.00 0.00 56.10 57.77 2wn2 s TRP 50 Cb 0.00 -3.17 0.00 0.00 -0.00 0.00 0.00 33.47 30.30 2wn2 s TRP 50 CO 0.00 -0.20 -0.15 0.00 -0.00 0.00 0.00 176.95 176.59 2wn2 s SER 52 N 0.17 4.30 -0.19 0.00 1.04 -0.63 -0.66 113.70 117.74 2wn2 s SER 52 Ca -0.06 1.34 0.12 0.00 0.48 0.00 0.00 55.95 57.83 2wn2 s SER 52 Cb -0.12 -2.06 -0.23 0.00 0.10 0.00 0.00 66.02 63.71 2wn2 s SER 52 CO 0.02 -2.09 0.10 -1.54 0.98 0.00 0.00 173.24 170.71 2wn2 n SER 53 N -3.52 0.68 -4.78 7.02 3.41 -1.26 -3.53 113.62 111.64 2wn2 n SER 53 Ca 0.07 0.04 -0.37 0.00 -0.26 0.00 0.00 58.87 58.35 2wn2 n SER 53 Cb 0.56 0.44 -0.07 0.00 -0.26 0.00 0.00 64.21 64.88 2wn2 n SER 53 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2wn2 s ILE 54 N -2.52 5.31 -0.53 -1.33 1.01 -1.26 -4.94 121.20 116.94 2wn2 s ILE 54 Ca -0.15 0.50 -0.07 0.00 0.00 0.00 0.00 60.65 60.92 2wn2 s ILE 54 Cb 0.07 -3.58 0.14 0.00 0.01 0.00 0.00 42.46 39.09 2wn2 s ILE 54 CO 0.78 0.48 0.39 -0.69 0.00 0.00 0.00 174.94 175.89 2wn2 s VAL 55 N -0.15 4.08 0.11 2.92 1.01 -1.26 -4.89 120.40 122.22 2wn2 s VAL 55 Ca 0.17 -2.17 -0.04 0.00 0.00 0.00 0.00 61.98 59.94 2wn2 s VAL 55 Cb -0.13 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.59 2wn2 s VAL 55 CO 0.05 -0.81 0.22 -0.90 0.00 0.00 0.00 175.10 173.66 2wn2 n ASP 56 N 4.44 -0.63 -1.24 3.32 5.68 -1.26 -5.04 116.55 121.82 2wn2 n ASP 56 Ca -0.01 -1.49 0.06 0.00 -0.50 0.00 0.00 54.79 52.85 2wn2 n ASP 56 Cb 0.41 1.07 0.25 0.00 -1.14 0.00 0.00 41.12 41.70 2wn2 n ASP 56 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2wn2 n THR 57 N -0.16 1.42 -0.24 2.12 -2.24 -1.26 -4.01 114.28 109.91 2wn2 n THR 57 Ca -0.02 -0.83 0.05 0.00 -2.27 0.00 0.00 64.05 60.98 2wn2 n THR 57 Cb 0.17 -0.13 0.14 0.00 -2.10 0.00 0.00 70.33 68.42 2wn2 n THR 57 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2wn2 n ASN 58 N 0.58 2.87 -4.91 3.42 3.02 -1.26 -4.87 115.26 114.11 2wn2 n ASN 58 Ca 0.18 -2.11 -0.27 0.00 -0.03 0.00 0.00 54.58 52.34 2wn2 n ASN 58 Cb 0.72 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 2wn2 n ASN 58 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2wn2 s GLN 59 N -1.20 3.43 0.05 3.52 -1.52 -1.26 -4.99 119.66 117.69 2wn2 s GLN 59 Ca 0.22 0.14 -0.27 0.00 -1.95 0.00 0.00 55.36 53.50 2wn2 s GLN 59 Cb 0.13 -2.37 0.09 0.00 -0.22 0.00 0.00 33.01 30.64 2wn2 s GLN 59 CO 0.13 -0.28 0.86 1.52 -0.25 0.00 0.00 175.29 177.27 2wn2 s TYR 60 N -2.77 -0.32 -0.09 0.91 -0.85 -1.26 -3.73 117.35 109.24 2wn2 s TYR 60 Ca 0.48 0.14 0.02 0.00 -0.52 0.00 0.00 57.07 57.20 2wn2 s TYR 60 Cb -0.10 0.56 0.01 0.00 0.38 0.00 0.00 41.96 42.81 2wn2 s TYR 60 CO 0.45 -0.65 -0.15 -1.50 -1.52 0.00 0.00 175.55 172.18 2wn2 s ILE 61 N -3.24 1.38 -0.14 -3.49 2.07 -0.87 -1.35 121.20 115.55 2wn2 s ILE 61 Ca 0.06 -0.60 -0.03 0.00 -1.41 0.00 0.00 60.65 58.67 2wn2 s ILE 61 Cb -0.01 -1.25 -0.03 0.00 0.13 0.00 0.00 42.46 41.30 2wn2 s ILE 61 CO -0.07 0.41 -0.06 -0.69 -1.91 0.00 0.00 174.94 172.63 2wn2 s VAL 62 N 0.76 3.74 -0.19 4.00 1.01 0.14 -1.54 120.40 128.33 2wn2 s VAL 62 Ca -0.12 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 2wn2 s VAL 62 Cb -0.16 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 2wn2 s VAL 62 CO 0.02 0.51 -0.03 0.00 0.00 0.00 0.00 175.10 175.61 2wn2 s ALA 63 N 0.21 2.95 -0.11 5.51 0.00 0.33 -0.99 121.76 129.66 2wn2 s ALA 63 Ca -0.03 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 50.99 2wn2 s ALA 63 Cb -0.14 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.32 2wn2 s ALA 63 CO 0.03 -0.07 -0.22 0.20 0.00 0.00 0.00 175.76 175.70 2wn2 s GLY 64 N 0.86 1.36 -0.07 0.00 0.00 -0.24 -1.16 107.32 108.07 2wn2 s GLY 64 Ca -0.00 -0.99 0.05 0.00 0.00 0.00 0.00 44.72 43.78 2wn2 s GLY 64 CO 0.02 -0.25 -0.24 0.00 0.00 0.00 0.00 173.10 172.62 2wn2 h GLU 66 N 6.20 0.00 -5.06 0.00 5.08 -1.87 -3.40 114.58 115.53 2wn2 h GLU 66 Ca -0.29 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.44 2wn2 h GLU 66 Cb 1.19 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.27 2wn2 h GLU 66 CO 0.47 0.29 -0.55 0.08 -1.00 0.00 0.00 179.01 178.30 2wn2 s VAL 67 N -3.18 4.94 0.46 3.13 1.01 -1.26 -5.04 120.40 120.46 2wn2 s VAL 67 Ca 0.04 0.03 -0.25 0.00 0.00 0.00 0.00 61.98 61.81 2wn2 s VAL 67 Cb 0.07 -3.30 -0.08 0.00 0.00 0.00 0.00 36.38 33.08 2wn2 s VAL 67 CO 0.70 0.35 1.43 -2.65 0.00 0.00 0.00 175.10 174.93 2wn2 n PRO 68 N 4.41 2.18 -4.31 2.72 -0.02 -1.26 -4.84 135.00 133.87 2wn2 n PRO 68 Ca -0.15 0.78 -0.18 0.00 -2.02 0.00 0.00 63.50 61.92 2wn2 n PRO 68 Cb 0.52 -2.63 -0.10 0.00 -0.02 0.00 0.00 33.50 31.27 2wn2 n PRO 68 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2wn2 s ARG 69 N -2.51 1.22 -0.44 -0.52 1.81 -0.42 -4.97 118.95 113.12 2wn2 s ARG 69 Ca 0.63 -1.47 -0.12 0.00 -1.72 0.00 0.00 55.73 53.05 2wn2 s ARG 69 Cb -0.44 -1.05 0.07 0.00 -0.45 0.00 0.00 34.95 33.08 2wn2 s ARG 69 CO 0.56 0.18 0.32 0.99 -0.68 0.00 0.00 175.30 176.67 2wn2 s THR 70 N -2.68 4.68 -0.31 0.02 2.01 -1.26 -1.45 115.64 116.66 2wn2 s THR 70 Ca 0.18 -1.22 -0.29 0.00 0.31 0.00 0.00 61.69 60.67 2wn2 s THR 70 Cb -0.02 -3.82 0.02 0.00 0.01 0.00 0.00 72.50 68.68 2wn2 s THR 70 CO 0.05 -0.52 1.05 -0.36 -0.69 0.00 0.00 174.62 174.15 2wn2 s PHE 71 N 1.53 3.18 -0.12 4.92 0.40 0.74 -1.42 117.98 127.20 2wn2 s PHE 71 Ca 0.03 1.20 0.01 0.00 -0.60 0.00 0.00 56.93 57.58 2wn2 s PHE 71 Cb -0.23 -3.61 -0.24 0.00 0.51 0.00 0.00 43.02 39.45 2wn2 s PHE 71 CO 0.04 -0.72 0.37 -1.33 0.70 0.00 0.00 175.22 174.28 2wn2 n MET 72 N 6.76 0.71 -3.63 0.44 2.81 -0.02 -1.52 117.12 122.67 2wn2 n MET 72 Ca 0.11 0.24 -0.15 0.00 -1.81 0.00 0.00 57.70 56.10 2wn2 n MET 72 Cb 0.47 -1.70 -0.07 0.00 -0.71 0.00 0.00 33.22 31.20 2wn2 n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wn2 s VAL 74 N -0.27 1.94 -0.14 0.00 0.11 -0.28 -1.35 120.40 120.41 2wn2 s VAL 74 Ca -0.04 -0.97 -0.04 0.00 -2.93 0.00 0.00 61.98 58.00 2wn2 s VAL 74 Cb -0.03 -1.67 -0.03 0.00 -1.53 0.00 0.00 36.38 33.12 2wn2 s VAL 74 CO 0.04 0.54 -0.01 0.00 -3.33 0.00 0.00 175.10 172.33 2wn2 s ALA 75 N 0.16 3.14 0.12 1.54 0.00 0.24 0.11 121.76 127.07 2wn2 s ALA 75 Ca -0.12 -0.81 0.07 0.00 0.00 0.00 0.00 51.96 51.10 2wn2 s ALA 75 Cb -0.16 -1.58 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 2wn2 s ALA 75 CO 0.06 0.33 -0.09 -1.17 0.00 0.00 0.00 175.76 174.90 2wn2 s LEU 76 N -0.04 3.08 -0.00 0.00 2.96 -0.69 -1.64 118.68 122.34 2wn2 s LEU 76 Ca 0.03 -0.40 -0.16 0.00 -0.22 0.00 0.00 54.13 53.38 2wn2 s LEU 76 Cb -0.13 -1.85 0.03 0.00 0.50 0.00 0.00 46.19 44.74 2wn2 s LEU 76 CO 0.02 0.16 0.34 -1.58 -1.32 0.00 0.00 176.35 173.97 2wn2 s GLN 77 N -2.34 0.73 0.00 1.98 0.74 -0.16 -1.61 119.66 119.00 2wn2 s GLN 77 Ca 0.22 -0.22 0.00 0.00 0.05 0.00 0.00 55.36 55.41 2wn2 s GLN 77 Cb -0.11 0.32 0.00 0.00 1.10 0.00 0.00 33.01 34.33 2wn2 s GLN 77 CO 0.15 -0.21 0.00 0.41 -0.55 0.00 0.00 175.29 175.08 2wn2 n GLY 78 N 1.10 -0.95 3.73 2.59 0.00 -0.76 -1.12 105.19 109.77 2wn2 n GLY 78 Ca -0.21 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 2wn2 n GLY 78 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wn2 s ARG 79 N -2.90 4.65 0.33 1.61 3.52 -0.35 -4.01 118.95 121.80 2wn2 s ARG 79 Ca 0.00 1.39 0.13 0.00 -0.13 0.00 0.00 55.73 57.12 2wn2 s ARG 79 Cb 0.00 -3.39 0.57 0.00 -1.56 0.00 0.00 34.95 30.57 2wn2 s ARG 79 CO 0.00 0.17 1.72 0.78 -0.81 0.00 0.00 175.30 177.17 2wn2 h GLY 80 N 5.82 0.00 -0.72 8.12 0.00 -1.48 -3.34 103.07 111.48 2wn2 h GLY 80 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 2wn2 h GLY 80 CO 0.72 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.35 2wn2 n ASP 81 N -3.86 1.94 -3.56 0.19 5.75 -1.26 -4.98 116.55 110.77 2wn2 n ASP 81 Ca -0.01 -1.51 -0.11 0.00 -0.01 0.00 0.00 54.79 53.15 2wn2 n ASP 81 Cb 0.51 -0.04 -0.03 0.00 -1.03 0.00 0.00 41.12 40.53 2wn2 n ASP 81 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wn2 s ALA 82 N -0.76 -1.24 -1.43 2.12 0.00 -1.25 -5.04 121.76 114.15 2wn2 s ALA 82 Ca 0.11 0.16 -0.11 0.00 0.00 0.00 0.00 51.96 52.12 2wn2 s ALA 82 Cb 0.07 0.81 0.06 0.00 0.00 0.00 0.00 23.12 24.06 2wn2 s ALA 82 CO 0.10 -0.74 2.28 -0.25 0.00 0.00 0.00 175.76 177.16 2wn2 n ASP 83 N -0.32 5.38 -3.99 0.00 8.00 -1.26 -4.47 116.55 119.89 2wn2 n ASP 83 Ca -0.15 -2.89 -0.24 0.00 0.71 0.00 0.00 54.79 52.22 2wn2 n ASP 83 Cb 0.64 -1.57 -0.17 0.00 -0.02 0.00 0.00 41.12 40.00 2wn2 n ASP 83 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2wn2 s GLN 84 N 1.93 1.52 0.14 -1.24 -0.21 -1.26 -4.45 119.66 116.11 2wn2 s GLN 84 Ca 0.50 -0.35 -0.24 0.00 0.02 0.00 0.00 55.36 55.29 2wn2 s GLN 84 Cb 0.14 -1.30 0.07 0.00 1.00 0.00 0.00 33.01 32.92 2wn2 s GLN 84 CO -0.06 -0.00 0.68 1.67 -2.12 0.00 0.00 175.29 175.46 2wn2 s TRP 85 N 0.74 -0.45 -0.28 0.91 -2.14 -0.86 -1.21 118.94 115.65 2wn2 s TRP 85 Ca -0.13 0.22 -0.11 0.00 2.66 0.00 0.00 56.10 58.73 2wn2 s TRP 85 Cb -0.15 0.58 -0.05 0.00 -3.10 0.00 0.00 33.47 30.74 2wn2 s TRP 85 CO 0.03 -0.83 0.20 0.08 -2.66 0.00 0.00 176.95 173.77 2wn2 s VAL 86 N -3.63 5.30 -0.14 -0.66 1.01 -1.24 -0.37 120.40 120.67 2wn2 s VAL 86 Ca 0.03 0.17 0.17 0.00 0.00 0.00 0.00 61.98 62.35 2wn2 s VAL 86 Cb -0.02 -3.55 -0.07 0.00 0.00 0.00 0.00 36.38 32.74 2wn2 s VAL 86 CO -0.09 0.23 1.01 0.71 0.00 0.00 0.00 175.10 176.96 2wn2 h THR 87 N 5.38 0.56 -3.04 3.92 1.35 -1.22 -0.73 112.91 119.14 2wn2 h THR 87 Ca -0.35 -1.98 -0.03 0.00 -0.55 0.00 0.00 66.41 63.49 2wn2 h THR 87 Cb 1.19 2.10 -0.13 0.00 -1.73 0.00 0.00 68.15 69.58 2wn2 h THR 87 CO 0.56 0.32 0.11 -0.94 -0.25 0.00 0.00 175.52 175.32 2wn2 s SER 88 N -5.94 -0.47 0.21 5.36 1.04 -1.15 -0.47 113.70 112.28 2wn2 s SER 88 Ca -0.01 -0.03 -0.22 0.00 0.48 0.00 0.00 55.95 56.17 2wn2 s SER 88 Cb 0.08 0.55 0.05 0.00 0.10 0.00 0.00 66.02 66.80 2wn2 s SER 88 CO 0.79 -0.89 0.64 -0.72 0.98 0.00 0.00 173.24 174.04 2wn2 s TYR 89 N -3.50 -0.38 0.32 5.02 1.13 -0.51 -1.13 117.35 118.30 2wn2 s TYR 89 Ca 0.00 0.07 0.09 0.00 -1.41 0.00 0.00 57.07 55.82 2wn2 s TYR 89 Cb -0.00 0.60 -0.05 0.00 -1.10 0.00 0.00 41.96 41.41 2wn2 s TYR 89 CO -0.10 -1.00 0.07 -1.59 -2.51 0.00 0.00 175.55 170.42 2wn2 s LYS 90 N -3.82 2.28 -0.06 -3.49 -2.85 -0.22 0.13 119.74 111.70 2wn2 s LYS 90 Ca 0.05 -1.57 0.05 0.00 -1.00 0.00 0.00 55.97 53.51 2wn2 s LYS 90 Cb -0.03 -2.11 -0.01 0.00 -2.06 0.00 0.00 37.83 33.63 2wn2 s LYS 90 CO -0.05 0.18 -0.23 0.42 0.10 0.00 0.00 175.35 175.77 2wn2 s ILE 91 N -2.43 1.92 0.16 3.79 -1.09 -1.26 -0.93 121.20 121.37 2wn2 s ILE 91 Ca 0.35 -0.98 0.08 0.00 -2.23 0.00 0.00 60.65 57.88 2wn2 s ILE 91 Cb -0.03 -1.64 -0.04 0.00 -1.58 0.00 0.00 42.46 39.18 2wn2 s ILE 91 CO 0.21 0.53 -0.18 -0.13 -1.23 0.00 0.00 174.94 174.15 2wn2 s ARG 92 N -0.01 1.25 0.16 2.79 0.52 -0.82 -1.01 118.95 121.84 2wn2 s ARG 92 Ca -0.07 -1.40 -0.19 0.00 -0.52 0.00 0.00 55.73 53.55 2wn2 s ARG 92 Cb -0.14 -1.28 0.04 0.00 0.52 0.00 0.00 34.95 34.10 2wn2 s ARG 92 CO 0.04 0.25 0.50 1.52 0.02 0.00 0.00 175.30 177.64 2wn2 s TYR 93 N -2.11 -0.28 -0.05 -0.53 -0.85 0.36 -0.86 117.35 113.03 2wn2 s TYR 93 Ca 0.15 -0.02 -0.03 0.00 -0.52 0.00 0.00 57.07 56.66 2wn2 s TYR 93 Cb -0.05 0.40 0.02 0.00 0.38 0.00 0.00 41.96 42.71 2wn2 s TYR 93 CO 0.06 -0.82 0.12 0.45 -1.52 0.00 0.00 175.55 173.84 2wn2 s SER 94 N -2.81 -0.11 -0.20 -0.18 0.15 -0.17 -0.18 113.70 110.21 2wn2 s SER 94 Ca 0.04 0.25 -0.19 0.00 0.70 0.00 0.00 55.95 56.76 2wn2 s SER 94 Cb -0.00 0.20 -0.20 0.00 -1.71 0.00 0.00 66.02 64.31 2wn2 s SER 94 CO -0.09 -0.09 0.20 -0.11 1.20 0.00 0.00 173.24 174.35 2wn2 n LEU 95 N 3.55 2.00 -0.36 3.45 7.94 -1.26 -0.59 117.00 131.73 2wn2 n LEU 95 Ca -0.19 0.38 0.13 0.00 -1.11 0.00 0.00 56.01 55.22 2wn2 n LEU 95 Cb 0.56 -0.98 0.40 0.00 0.53 0.00 0.00 43.42 43.92 2wn2 n LEU 95 CO 0.21 0.40 0.70 -0.90 -1.11 0.00 0.00 177.39 176.69 2wn2 n ASP 96 N -4.25 1.30 -1.85 1.96 5.75 -1.26 -4.00 116.55 114.20 2wn2 n ASP 96 Ca -0.34 -1.16 -0.19 0.00 -0.01 0.00 0.00 54.79 53.10 2wn2 n ASP 96 Cb 0.76 0.10 -0.04 0.00 -1.03 0.00 0.00 41.12 40.92 2wn2 n ASP 96 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2wn2 n ASN 97 N -0.28 -5.33 0.02 -1.12 5.03 -1.26 -4.81 115.26 107.52 2wn2 n ASN 97 Ca 0.14 0.17 0.00 0.00 0.87 0.00 0.00 54.58 55.76 2wn2 n ASN 97 Cb 0.37 -4.42 0.00 0.00 -1.02 0.00 0.00 39.78 34.71 2wn2 n ASN 97 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 2wn2 n VAL 98 N -3.40 0.27 -3.83 2.41 0.31 -1.26 -5.04 118.33 107.80 2wn2 n VAL 98 Ca -0.21 0.09 -0.35 0.00 -0.01 0.00 0.00 64.34 63.86 2wn2 n VAL 98 Cb 0.65 -1.28 -0.09 0.00 -0.91 0.00 0.00 33.84 32.20 2wn2 n VAL 98 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2wn2 s SER 99 N -5.22 5.93 0.12 4.52 0.01 -1.26 -5.10 113.70 112.70 2wn2 s SER 99 Ca 0.00 0.14 0.05 0.00 1.31 0.00 0.00 55.95 57.44 2wn2 s SER 99 Cb 0.00 -2.04 -0.04 0.00 0.21 0.00 0.00 66.02 64.15 2wn2 s SER 99 CO 0.00 0.15 0.07 0.26 0.41 0.00 0.00 173.24 174.13 2wn2 s TRP 100 N 0.52 3.09 0.10 2.43 0.52 -1.26 -4.33 118.94 120.02 2wn2 s TRP 100 Ca 0.06 -0.00 0.03 0.00 0.02 0.00 0.00 56.10 56.21 2wn2 s TRP 100 Cb -0.12 -1.54 -0.04 0.00 -1.15 0.00 0.00 33.47 30.62 2wn2 s TRP 100 CO 0.00 0.51 -0.09 -0.06 0.02 0.00 0.00 176.95 177.34 2wn2 s PHE 101 N -1.53 1.01 -0.17 -1.98 0.40 0.75 -4.98 117.98 111.48 2wn2 s PHE 101 Ca 0.29 -0.77 -0.05 0.00 -0.60 0.00 0.00 56.93 55.80 2wn2 s PHE 101 Cb -0.11 -0.56 -0.03 0.00 0.51 0.00 0.00 43.02 42.83 2wn2 s PHE 101 CO 0.21 -0.05 -0.01 -1.21 0.70 0.00 0.00 175.22 174.87 2wn2 s GLU 102 N -3.33 3.69 0.28 0.44 2.02 -1.26 -0.48 118.70 120.05 2wn2 s GLU 102 Ca 0.09 -0.50 -0.30 0.00 0.02 0.00 0.00 54.97 54.28 2wn2 s GLU 102 Cb 0.01 -3.01 -0.12 0.00 0.10 0.00 0.00 34.13 31.11 2wn2 s GLU 102 CO -0.02 0.16 1.58 0.98 0.02 0.00 0.00 175.26 177.99 2wn2 n TYR 103 N 3.79 2.75 -2.65 1.61 -0.00 -0.18 -2.49 117.16 119.99 2wn2 n TYR 103 Ca -0.17 0.26 -0.19 0.00 -0.00 0.00 0.00 57.90 57.80 2wn2 n TYR 103 Cb 0.52 -2.59 0.00 0.00 -0.00 0.00 0.00 39.34 37.28 2wn2 n TYR 103 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 2wn2 n ARG 104 N 2.29 -2.74 -3.32 2.98 1.74 -1.26 -0.69 116.66 115.66 2wn2 n ARG 104 Ca 0.10 0.81 -0.22 0.00 -0.77 0.00 0.00 57.85 57.76 2wn2 n ARG 104 Cb 0.36 -5.51 -0.01 0.00 -1.02 0.00 0.00 32.46 26.28 2wn2 n ARG 104 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wn2 n ASN 105 N -2.09 -3.46 0.00 0.55 3.02 -1.04 -1.59 115.26 110.64 2wn2 n ASN 105 Ca -0.16 -0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 2wn2 n ASN 105 Cb 0.64 -2.88 0.00 0.00 -0.61 0.00 0.00 39.78 36.92 2wn2 n ASN 105 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wn2 n GLY 106 N -1.10 0.76 3.77 7.41 0.00 0.13 -5.01 105.19 111.15 2wn2 n GLY 106 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2wn2 n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wn2 s ALA 107 N -2.34 2.56 0.38 4.61 0.00 -0.62 -4.84 121.76 121.50 2wn2 s ALA 107 Ca 0.00 0.64 -0.27 0.00 0.00 0.00 0.00 51.96 52.33 2wn2 s ALA 107 Cb 0.00 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 2wn2 s ALA 107 CO 0.00 -1.07 1.27 0.00 0.00 0.00 0.00 175.76 175.96 2wn2 s ALA 108 N -2.15 3.32 -0.06 0.00 0.00 -1.26 -4.65 121.76 116.96 2wn2 s ALA 108 Ca 0.69 1.18 0.02 0.00 0.00 0.00 0.00 51.96 53.86 2wn2 s ALA 108 Cb -0.21 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 2wn2 s ALA 108 CO 0.36 -0.70 -0.12 0.08 0.00 0.00 0.00 175.76 175.39 2wn2 s VAL 109 N -1.25 3.27 0.02 0.00 1.01 0.12 -4.94 120.40 118.64 2wn2 s VAL 109 Ca 0.54 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.57 2wn2 s VAL 109 Cb -0.37 -2.30 -0.06 0.00 0.00 0.00 0.00 36.38 33.65 2wn2 s VAL 109 CO 0.48 0.59 1.38 -0.89 0.00 0.00 0.00 175.10 176.66 2wn2 s THR 110 N -0.69 3.67 0.00 3.92 2.01 -1.26 -1.42 115.64 121.87 2wn2 s THR 110 Ca 0.10 1.10 0.00 0.00 0.31 0.00 0.00 61.69 63.20 2wn2 s THR 110 Cb -0.11 -3.70 0.00 0.00 0.01 0.00 0.00 72.50 68.69 2wn2 s THR 110 CO 0.01 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.57 2wn2 n GLY 111 N 3.59 1.39 3.73 4.40 0.00 0.38 -4.91 105.19 113.77 2wn2 n GLY 111 Ca 0.13 -1.30 -0.25 0.00 0.00 0.00 0.00 46.02 44.59 2wn2 n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wn2 s VAL 112 N 3.21 2.31 0.00 1.61 -7.23 -0.28 -4.86 120.40 115.16 2wn2 s VAL 112 Ca 0.00 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 58.46 2wn2 s VAL 112 Cb 0.00 -3.00 0.00 0.00 0.56 0.00 0.00 36.38 33.94 2wn2 s VAL 112 CO 0.00 -0.01 0.74 0.35 -0.31 0.00 0.00 175.10 175.87 2wn2 n THR 113 N -1.22 0.49 -3.58 5.32 -2.24 -1.26 -4.16 114.28 107.64 2wn2 n THR 113 Ca -0.01 -0.51 -0.05 0.00 -2.27 0.00 0.00 64.05 61.21 2wn2 n THR 113 Cb 0.65 0.77 0.02 0.00 -2.10 0.00 0.00 70.33 69.67 2wn2 n THR 113 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2wn2 n ASP 114 N -0.25 -1.46 -0.10 3.42 5.68 -1.26 -5.08 116.55 117.50 2wn2 n ASP 114 Ca 0.00 -1.97 -0.12 0.00 -0.50 0.00 0.00 54.79 52.20 2wn2 n ASP 114 Cb 0.36 2.43 -0.04 0.00 -1.14 0.00 0.00 41.12 42.73 2wn2 n ASP 114 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 2wn2 h ARG 115 N 0.00 0.60 0.00 0.11 3.08 -1.88 -3.31 114.38 112.98 2wn2 h ARG 115 Ca -0.22 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2wn2 h ARG 115 Cb 0.82 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.86 2wn2 h ARG 115 CO 0.28 0.84 -0.50 0.09 -1.07 0.00 0.00 179.97 179.60 2wn2 n ASN 116 N -4.42 2.50 -4.65 7.04 3.02 -1.26 -1.84 115.26 115.65 2wn2 n ASN 116 Ca -0.03 -0.18 -0.43 0.00 -0.03 0.00 0.00 54.58 53.91 2wn2 n ASN 116 Cb 0.37 0.86 -0.02 0.00 -0.61 0.00 0.00 39.78 40.37 2wn2 n ASN 116 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2wn2 s THR 117 N -1.36 4.50 0.18 3.41 2.01 -1.26 -4.89 115.64 118.24 2wn2 s THR 117 Ca 0.00 1.76 -0.30 0.00 0.31 0.00 0.00 61.69 63.46 2wn2 s THR 117 Cb 0.00 -4.31 -0.08 0.00 0.01 0.00 0.00 72.50 68.12 2wn2 s THR 117 CO 0.00 -0.34 1.11 -0.69 -0.69 0.00 0.00 174.62 174.01 2wn2 s VAL 118 N 3.57 3.81 -0.24 3.82 1.01 -1.26 -4.72 120.40 126.38 2wn2 s VAL 118 Ca 0.47 1.57 0.01 0.00 0.00 0.00 0.00 61.98 64.04 2wn2 s VAL 118 Cb -0.15 -4.00 0.05 0.00 0.00 0.00 0.00 36.38 32.27 2wn2 s VAL 118 CO 0.13 0.28 -0.11 -0.69 0.00 0.00 0.00 175.10 174.70 2wn2 s VAL 119 N -0.28 2.32 0.10 2.92 1.01 -0.64 -5.00 120.40 120.84 2wn2 s VAL 119 Ca 0.49 -1.37 -0.24 0.00 0.00 0.00 0.00 61.98 60.86 2wn2 s VAL 119 Cb -0.30 -2.25 -0.07 0.00 0.00 0.00 0.00 36.38 33.76 2wn2 s VAL 119 CO 0.35 0.12 0.74 0.20 0.00 0.00 0.00 175.10 176.52 2wn2 s ASN 120 N 1.19 7.26 -0.23 3.32 0.01 -1.26 -1.71 114.94 123.52 2wn2 s ASN 120 Ca -0.04 1.49 0.02 0.00 -0.71 0.00 0.00 52.86 53.62 2wn2 s ASN 120 Cb -0.18 -2.46 0.05 0.00 0.41 0.00 0.00 41.25 39.06 2wn2 s ASN 120 CO -0.06 0.13 -0.13 -2.28 -1.51 0.00 0.00 177.10 173.25 2wn2 s HIS 121 N -0.65 2.96 -0.19 2.20 5.65 0.12 -4.99 115.29 120.39 2wn2 s HIS 121 Ca 0.36 -2.00 -0.21 0.00 0.25 0.00 0.00 55.06 53.46 2wn2 s HIS 121 Cb -0.21 -1.87 -0.02 0.00 -1.18 0.00 0.00 32.58 29.29 2wn2 s HIS 121 CO 0.24 -0.83 0.64 -0.06 -0.65 0.00 0.00 174.74 174.07 2wn2 s PHE 122 N 1.21 3.38 0.43 3.88 0.40 -1.26 -1.13 117.98 124.90 2wn2 s PHE 122 Ca -0.04 0.95 -0.26 0.00 -0.60 0.00 0.00 56.93 56.99 2wn2 s PHE 122 Cb -0.17 -2.81 -0.09 0.00 0.51 0.00 0.00 43.02 40.46 2wn2 s PHE 122 CO -0.08 -0.17 1.40 -0.06 0.70 0.00 0.00 175.22 177.01 2wn2 s PHE 123 N 1.88 2.56 0.28 0.36 0.40 -0.96 -4.87 117.98 117.64 2wn2 s PHE 123 Ca 0.29 1.30 0.02 0.00 -0.60 0.00 0.00 56.93 57.94 2wn2 s PHE 123 Cb -0.16 -3.86 0.66 0.00 0.51 0.00 0.00 43.02 40.17 2wn2 s PHE 123 CO 0.11 -2.71 1.70 -0.44 0.70 0.00 0.00 175.22 174.57 2wn2 h ASP 124 N 2.47 0.28 -3.95 1.36 3.32 -1.95 -3.36 116.42 114.59 2wn2 h ASP 124 Ca -0.50 0.15 -0.42 0.00 0.02 0.00 0.00 57.03 56.27 2wn2 h ASP 124 Cb 1.26 0.14 -0.30 0.00 0.22 0.00 0.00 39.33 40.65 2wn2 h ASP 124 CO 0.62 0.01 -0.79 -0.89 -1.72 0.00 0.00 179.24 176.46 2wn2 s THR 125 N -5.92 0.81 0.48 0.35 2.01 -1.26 -5.14 115.64 106.96 2wn2 s THR 125 Ca -0.12 -0.41 -0.22 0.00 0.31 0.00 0.00 61.69 61.25 2wn2 s THR 125 Cb 0.24 -0.70 -0.09 0.00 0.01 0.00 0.00 72.50 71.97 2wn2 s THR 125 CO 0.77 0.24 0.99 -2.65 -0.69 0.00 0.00 174.62 173.28 2wn2 n PRO 126 N 3.05 1.22 -3.77 4.92 -0.02 -1.26 -4.95 135.00 134.20 2wn2 n PRO 126 Ca -0.16 0.45 -0.36 0.00 -2.02 0.00 0.00 63.50 61.40 2wn2 n PRO 126 Cb 0.55 -2.08 -0.13 0.00 -0.02 0.00 0.00 33.50 31.83 2wn2 n PRO 126 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2wn2 s ILE 127 N -1.36 4.28 -0.35 4.25 1.01 -0.57 -4.89 121.20 123.56 2wn2 s ILE 127 Ca 0.67 -0.18 -0.24 0.00 0.00 0.00 0.00 60.65 60.90 2wn2 s ILE 127 Cb -0.51 -3.00 0.01 0.00 0.01 0.00 0.00 42.46 38.97 2wn2 s ILE 127 CO 0.54 0.34 0.81 -0.60 0.00 0.00 0.00 174.94 176.03 2wn2 s ARG 128 N 1.59 3.82 0.19 2.79 6.06 -1.26 -0.19 118.95 131.96 2wn2 s ARG 128 Ca 0.06 0.42 -0.21 0.00 -2.50 0.00 0.00 55.73 53.51 2wn2 s ARG 128 Cb -0.15 -3.79 0.05 0.00 0.06 0.00 0.00 34.95 31.12 2wn2 s ARG 128 CO 0.03 -0.82 0.59 0.00 -2.50 0.00 0.00 175.30 172.61 2wn2 s ALA 129 N 3.12 -1.30 -0.26 6.12 0.00 -0.53 -4.50 121.76 124.41 2wn2 s ALA 129 Ca 0.33 0.10 -0.12 0.00 0.00 0.00 0.00 51.96 52.26 2wn2 s ALA 129 Cb -0.13 0.86 -0.15 0.00 0.00 0.00 0.00 23.12 23.70 2wn2 s ALA 129 CO 0.16 -0.83 -0.20 0.54 0.00 0.00 0.00 175.76 175.43 2wn2 n ARG 130 N -0.38 0.61 -4.62 0.00 1.74 0.24 -1.31 116.66 112.94 2wn2 n ARG 130 Ca -0.12 0.29 -0.30 0.00 -0.77 0.00 0.00 57.85 56.95 2wn2 n ARG 130 Cb 0.63 -1.55 -0.13 0.00 -1.02 0.00 0.00 32.46 30.39 2wn2 n ARG 130 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2wn2 s SER 131 N -7.19 3.46 -0.06 0.55 0.01 -0.64 -0.51 113.70 109.32 2wn2 s SER 131 Ca -0.36 -0.59 -0.08 0.00 1.31 0.00 0.00 55.95 56.23 2wn2 s SER 131 Cb 0.12 -0.38 0.02 0.00 0.21 0.00 0.00 66.02 65.98 2wn2 s SER 131 CO 0.54 0.23 0.21 -0.51 0.41 0.00 0.00 173.24 174.11 2wn2 s ILE 132 N -0.95 0.02 -0.01 1.44 2.07 -0.31 -1.00 121.20 122.47 2wn2 s ILE 132 Ca 0.14 -0.18 0.01 0.00 -1.41 0.00 0.00 60.65 59.21 2wn2 s ILE 132 Cb -0.10 -0.36 0.00 0.00 0.13 0.00 0.00 42.46 42.13 2wn2 s ILE 132 CO 0.05 -0.10 -0.04 0.00 -1.91 0.00 0.00 174.94 172.94 2wn2 s ALA 133 N -0.31 0.35 -0.25 1.50 0.00 -0.04 -0.51 121.76 122.49 2wn2 s ALA 133 Ca -0.04 -0.13 -0.13 0.00 0.00 0.00 0.00 51.96 51.66 2wn2 s ALA 133 Cb -0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 2wn2 s ALA 133 CO 0.01 0.06 0.29 0.42 0.00 0.00 0.00 175.76 176.54 2wn2 s ILE 134 N 0.08 5.26 -0.43 0.00 1.01 -0.59 -1.94 121.20 124.58 2wn2 s ILE 134 Ca -0.00 0.42 -0.01 0.00 0.00 0.00 0.00 60.65 61.05 2wn2 s ILE 134 Cb -0.04 -3.62 0.12 0.00 0.01 0.00 0.00 42.46 38.93 2wn2 s ILE 134 CO -0.00 0.25 0.20 -1.00 0.00 0.00 0.00 174.94 174.39 2wn2 s HIS 135 N 1.55 3.58 0.37 3.97 3.76 -0.10 -2.04 115.29 126.38 2wn2 s HIS 135 Ca 0.12 -2.62 -0.28 0.00 -0.15 0.00 0.00 55.06 52.13 2wn2 s HIS 135 Cb -0.15 -3.14 -0.11 0.00 1.11 0.00 0.00 32.58 30.29 2wn2 s HIS 135 CO 0.08 -0.94 1.50 -2.14 -0.85 0.00 0.00 174.74 172.39 2wn2 s PRO 136 N 0.86 4.11 -0.08 8.40 0.02 -1.24 -1.05 135.00 146.02 2wn2 s PRO 136 Ca 0.10 2.57 0.03 0.00 0.02 0.00 0.00 61.00 63.72 2wn2 s PRO 136 Cb -0.22 -2.98 -0.07 0.00 0.02 0.00 0.00 34.50 31.26 2wn2 s PRO 136 CO -0.05 -0.54 -0.04 1.28 -0.33 0.00 0.00 177.00 177.32 2wn2 n LEU 137 N 0.68 1.90 -4.01 -5.54 4.77 -0.29 -4.66 117.00 109.85 2wn2 n LEU 137 Ca 0.02 -0.03 -0.09 0.00 -0.03 0.00 0.00 56.01 55.87 2wn2 n LEU 137 Cb 0.39 -0.13 -0.11 0.00 -2.33 0.00 0.00 43.42 41.24 2wn2 n LEU 137 CO 0.64 0.47 -0.37 0.42 -1.33 0.00 0.00 177.39 177.22 2wn2 s THR 138 N -2.17 0.20 0.16 -5.08 -4.23 -1.06 -4.88 115.64 98.58 2wn2 s THR 138 Ca -0.09 -1.05 -0.16 0.00 -1.18 0.00 0.00 61.69 59.22 2wn2 s THR 138 Cb 0.03 -0.47 0.03 0.00 1.34 0.00 0.00 72.50 73.43 2wn2 s THR 138 CO 0.23 -0.54 0.45 -1.66 -0.54 0.00 0.00 174.62 172.56 2wn2 s TRP 139 N -1.73 -0.10 -0.26 3.99 -2.14 -1.26 -0.97 118.94 116.46 2wn2 s TRP 139 Ca -0.12 -0.23 -0.06 0.00 2.66 0.00 0.00 56.10 58.35 2wn2 s TRP 139 Cb -0.08 0.29 -0.01 0.00 -3.10 0.00 0.00 33.47 30.58 2wn2 s TRP 139 CO -0.02 -0.81 0.04 1.21 -2.66 0.00 0.00 176.95 174.71 2wn2 s ASN 140 N -2.85 4.87 0.00 -2.66 2.47 0.50 -4.81 114.94 112.46 2wn2 s ASN 140 Ca 0.07 -0.47 0.00 0.00 0.42 0.00 0.00 52.86 52.89 2wn2 s ASN 140 Cb 0.01 -1.85 0.00 0.00 -1.45 0.00 0.00 41.25 37.96 2wn2 s ASN 140 CO -0.06 -0.09 0.00 0.61 -3.72 0.00 0.00 177.10 173.83 2wn2 n GLY 141 N 4.86 1.70 3.51 1.21 0.00 -1.26 -2.02 105.19 113.19 2wn2 n GLY 141 Ca -0.16 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 2wn2 n GLY 141 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wn2 s HIS 142 N 0.00 -0.41 -0.82 1.61 2.46 -1.26 -5.05 115.29 111.82 2wn2 s HIS 142 Ca 0.00 0.20 -0.25 0.00 0.47 0.00 0.00 55.06 55.48 2wn2 s HIS 142 Cb 0.00 0.57 0.05 0.00 -0.13 0.00 0.00 32.58 33.07 2wn2 s HIS 142 CO 0.00 -0.77 1.29 0.42 -2.47 0.00 0.00 174.74 173.21 2wn2 s ILE 143 N -3.50 3.90 -0.06 0.89 1.01 -1.26 -3.81 121.20 118.37 2wn2 s ILE 143 Ca 0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 60.65 60.54 2wn2 s ILE 143 Cb -0.01 -4.93 0.04 0.00 0.01 0.00 0.00 42.46 37.57 2wn2 s ILE 143 CO -0.09 -1.82 0.14 -0.44 0.00 0.00 0.00 174.94 172.73 2wn2 s SER 144 N 4.09 0.02 0.10 3.58 0.01 -1.26 -1.60 113.70 118.64 2wn2 s SER 144 Ca 0.37 0.28 -0.18 0.00 1.31 0.00 0.00 55.95 57.73 2wn2 s SER 144 Cb -0.06 0.17 0.04 0.00 0.21 0.00 0.00 66.02 66.38 2wn2 s SER 144 CO 0.06 -0.16 0.43 -1.48 0.41 0.00 0.00 173.24 172.50 2wn2 s LEU 145 N 1.31 0.29 0.17 2.44 0.05 -0.25 -3.68 118.68 119.01 2wn2 s LEU 145 Ca -0.08 -0.16 0.11 0.00 0.05 0.00 0.00 54.13 54.05 2wn2 s LEU 145 Cb -0.12 1.89 -0.04 0.00 -2.05 0.00 0.00 46.19 45.87 2wn2 s LEU 145 CO -0.06 -0.80 -0.23 -0.13 -0.55 0.00 0.00 176.35 174.59 2wn2 s ARG 146 N -3.30 1.56 0.23 1.48 0.52 -0.28 -1.21 118.95 117.96 2wn2 s ARG 146 Ca -0.00 -1.42 -0.14 0.00 -0.52 0.00 0.00 55.73 53.64 2wn2 s ARG 146 Cb 0.01 -1.91 0.00 0.00 0.52 0.00 0.00 34.95 33.57 2wn2 s ARG 146 CO -0.08 0.42 0.50 0.00 0.02 0.00 0.00 175.30 176.16 2wn2 s GLU 148 N -3.98 0.64 -0.07 0.00 2.56 -0.65 -1.50 118.70 115.69 2wn2 s GLU 148 Ca 0.18 -0.06 0.03 0.00 0.00 0.00 0.00 54.97 55.13 2wn2 s GLU 148 Cb -0.01 0.29 -0.02 0.00 2.00 0.00 0.00 34.13 36.39 2wn2 s GLU 148 CO 0.06 -0.16 -0.17 -0.06 -0.56 0.00 0.00 175.26 174.36 2wn2 s PHE 149 N -1.06 2.65 -0.18 5.30 0.40 -1.26 -0.59 117.98 123.24 2wn2 s PHE 149 Ca -0.11 -0.47 -0.01 0.00 -0.60 0.00 0.00 56.93 55.74 2wn2 s PHE 149 Cb -0.05 -1.68 -0.00 0.00 0.51 0.00 0.00 43.02 41.80 2wn2 s PHE 149 CO 0.04 -0.05 -0.12 0.71 0.70 0.00 0.00 175.22 176.49 2wn2 s TYR 150 N -0.25 2.84 0.27 0.36 1.51 -0.46 -1.45 117.35 120.18 2wn2 s TYR 150 Ca 0.01 -1.09 0.11 0.00 -1.01 0.00 0.00 57.07 55.08 2wn2 s TYR 150 Cb -0.13 -1.96 -0.05 0.00 -0.11 0.00 0.00 41.96 39.71 2wn2 s TYR 150 CO 0.03 -0.54 -0.18 0.95 -1.11 0.00 0.00 175.55 174.69 2wn2 s THR 151 N 1.09 2.31 0.60 -0.71 -4.23 -0.55 -0.84 115.64 113.30 2wn2 s THR 151 Ca 0.00 -2.36 -0.19 0.00 -1.18 0.00 0.00 61.69 57.96 2wn2 s THR 151 Cb -0.14 -2.27 -0.03 0.00 1.34 0.00 0.00 72.50 71.39 2wn2 s THR 151 CO -0.03 -0.43 1.23 -1.10 -0.54 0.00 0.00 174.62 173.74 2wn2 s GLN 152 N -3.54 2.92 0.55 3.99 -1.52 -0.51 -0.84 119.66 120.72 2wn2 s GLN 152 Ca 0.29 1.88 -0.21 0.00 -1.95 0.00 0.00 55.36 55.37 2wn2 s GLN 152 Cb -0.04 -1.93 -0.05 0.00 -0.22 0.00 0.00 33.01 30.77 2wn2 s GLN 152 CO 0.13 -1.26 1.24 -2.30 -0.25 0.00 0.00 175.29 172.85 2wn2 n PRO 153 N -1.60 1.44 -4.03 2.91 -0.02 -1.26 -4.71 135.00 127.73 2wn2 n PRO 153 Ca 0.14 0.53 -0.26 0.00 -2.02 0.00 0.00 63.50 61.89 2wn2 n PRO 153 Cb 0.49 -2.43 -0.05 0.00 -0.02 0.00 0.00 33.50 31.49 2wn2 n PRO 153 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2wn2 s VAL 154 N -1.34 4.79 0.03 -1.45 -7.23 -1.26 -5.01 120.40 108.92 2wn2 s VAL 154 Ca 0.73 -0.94 0.07 0.00 -1.81 0.00 0.00 61.98 60.02 2wn2 s VAL 154 Cb -0.43 -3.46 -0.03 0.00 0.56 0.00 0.00 36.38 33.03 2wn2 s VAL 154 CO 0.49 -0.11 -0.20 -1.10 -0.31 0.00 0.00 175.10 173.87 2wn2 s GLN 155 N -3.17 2.07 -0.12 4.82 -1.52 -1.26 -5.10 119.66 115.38 2wn2 s GLN 155 Ca 0.32 -0.97 0.03 0.00 -1.95 0.00 0.00 55.36 52.79 2wn2 s GLN 155 Cb -0.10 -2.16 0.01 0.00 -0.22 0.00 0.00 33.01 30.53 2wn2 s GLN 155 CO 0.25 0.54 -0.21 0.45 -0.25 0.00 0.00 175.29 176.08 2wn2 s SER 156 N -1.28 2.96 0.18 5.90 0.15 -1.26 -5.02 113.70 115.32 2wn2 s SER 156 Ca 0.13 -0.55 0.10 0.00 0.70 0.00 0.00 55.95 56.33 2wn2 s SER 156 Cb -0.10 -1.36 -0.04 0.00 -1.71 0.00 0.00 66.02 62.80 2wn2 s SER 156 CO 0.04 0.09 -0.14 -0.94 1.20 0.00 0.00 173.24 173.49 2wn2 s SER 157 N 0.70 3.99 -0.07 5.45 1.04 -1.26 -0.10 113.70 123.45 2wn2 s SER 157 Ca -0.11 -0.65 0.02 0.00 0.48 0.00 0.00 55.95 55.69 2wn2 s SER 157 Cb -0.16 -0.58 0.01 0.00 0.10 0.00 0.00 66.02 65.39 2wn2 s SER 157 CO 0.01 0.12 -0.14 -0.69 0.98 0.00 0.00 173.24 173.52 2wn2 s VAL 158 N -1.64 1.26 -0.04 5.02 1.01 0.09 -4.98 120.40 121.12 2wn2 s VAL 158 Ca 0.23 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.73 2wn2 s VAL 158 Cb -0.09 -1.15 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 2wn2 s VAL 158 CO 0.13 0.38 -0.22 -0.89 0.00 0.00 0.00 175.10 174.51 2wn2 s THR 159 N 0.69 1.78 -0.07 3.92 2.01 -1.26 -0.85 115.64 121.86 2wn2 s THR 159 Ca -0.14 -0.94 0.04 0.00 0.31 0.00 0.00 61.69 60.97 2wn2 s THR 159 Cb -0.16 -1.50 -0.00 0.00 0.01 0.00 0.00 72.50 70.85 2wn2 s THR 159 CO 0.04 0.50 -0.20 -1.10 -0.69 0.00 0.00 174.62 173.17 2wn2 s GLN 160 N -0.27 2.36 -0.14 4.92 -0.21 0.01 -5.00 119.66 121.34 2wn2 s GLN 160 Ca 0.02 -0.73 -0.05 0.00 0.02 0.00 0.00 55.36 54.61 2wn2 s GLN 160 Cb -0.11 -1.91 -0.04 0.00 1.00 0.00 0.00 33.01 31.95 2wn2 s GLN 160 CO 0.01 0.21 0.05 0.08 -2.12 0.00 0.00 175.29 173.53 2wn2 s VAL 161 N 0.21 4.71 -0.07 1.09 1.01 -1.26 -0.73 120.40 125.36 2wn2 s VAL 161 Ca -0.11 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.82 2wn2 s VAL 161 Cb -0.15 -3.06 0.01 0.00 0.00 0.00 0.00 36.38 33.18 2wn2 s VAL 161 CO 0.05 0.54 -0.14 -0.83 0.00 0.00 0.00 175.10 174.72 2wn2 s GLY 162 N -0.28 0.89 -0.05 4.51 0.00 -0.37 -5.01 107.32 107.02 2wn2 s GLY 162 Ca 0.08 -0.52 -0.03 0.00 0.00 0.00 0.00 44.72 44.26 2wn2 s GLY 162 CO 0.02 0.07 0.10 0.00 0.00 0.00 0.00 173.10 173.29 2wn2 s ALA 163 N 0.66 3.68 -0.57 3.20 0.00 -1.26 -0.74 121.76 126.72 2wn2 s ALA 163 Ca -0.14 -0.79 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 2wn2 s ALA 163 Cb -0.16 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.25 2wn2 s ALA 163 CO 0.04 0.67 0.49 -0.25 0.00 0.00 0.00 175.76 176.71 2wn2 n ASP 164 N 1.47 -3.19 -4.70 0.00 8.00 -1.07 -4.96 116.55 112.10 2wn2 n ASP 164 Ca -0.15 -0.25 -0.42 0.00 0.71 0.00 0.00 54.79 54.67 2wn2 n ASP 164 Cb 0.53 -2.52 -0.03 0.00 -0.02 0.00 0.00 41.12 39.08 2wn2 n ASP 164 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2wn2 s ILE 165 N -3.15 3.90 0.00 0.53 -1.09 0.22 -4.85 121.20 116.76 2wn2 s ILE 165 Ca 0.16 1.30 0.03 0.00 -2.23 0.00 0.00 60.65 59.91 2wn2 s ILE 165 Cb -0.07 -3.84 -0.01 0.00 -1.58 0.00 0.00 42.46 36.96 2wn2 s ILE 165 CO 0.32 0.04 -0.10 -0.47 -1.23 0.00 0.00 174.94 173.50 2wn2 s TYR 166 N 1.83 0.86 0.30 3.97 5.04 -1.26 -1.24 117.35 126.85 2wn2 s TYR 166 Ca 0.60 -0.20 0.18 0.00 -2.44 0.00 0.00 57.07 55.22 2wn2 s TYR 166 Cb -0.30 -0.55 0.86 0.00 0.35 0.00 0.00 41.96 42.33 2wn2 s TYR 166 CO 0.26 -0.01 1.84 1.79 -1.34 0.00 0.00 175.55 178.09 2wn2 h THR 167 N 4.84 0.96 0.00 4.34 1.35 -1.64 -3.49 112.91 119.28 2wn2 h THR 167 Ca -0.32 -1.22 0.00 0.00 -0.55 0.00 0.00 66.41 64.32 2wn2 h THR 167 Cb 1.18 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 2wn2 h THR 167 CO 0.48 0.31 0.00 0.61 -0.25 0.00 0.00 175.52 176.68 2wn2 n GLY 168 N -0.23 1.20 3.76 5.82 0.00 -1.26 -4.79 105.19 109.69 2wn2 n GLY 168 Ca -0.01 -1.76 -0.38 0.00 0.00 0.00 0.00 46.02 43.87 2wn2 n GLY 168 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wn2 s ASP 169 N -0.77 6.03 -1.32 1.61 1.01 -1.26 -3.78 116.67 118.19 2wn2 s ASP 169 Ca 0.00 2.54 -0.06 0.00 0.71 0.00 0.00 52.55 55.74 2wn2 s ASP 169 Cb 0.00 -2.62 -0.00 0.00 1.01 0.00 0.00 42.92 41.30 2wn2 s ASP 169 CO 0.00 -1.03 0.55 -3.20 0.21 0.00 0.00 175.17 171.70 2wn2 n ASN 170 N -0.36 -1.69 -3.98 0.27 5.15 -0.69 -4.93 115.26 109.03 2wn2 n ASN 170 Ca 0.06 -0.99 -0.30 0.00 -0.60 0.00 0.00 54.58 52.76 2wn2 n ASN 170 Cb 0.46 -3.25 0.21 0.00 -0.53 0.00 0.00 39.78 36.66 2wn2 n ASN 170 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wn2 h ALA 172 N -2.04 1.00 0.00 0.00 0.00 -1.90 0.34 119.26 116.66 2wn2 h ALA 172 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2wn2 h ALA 172 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2wn2 h ALA 172 CO 0.36 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.89 2wn2 n LEU 173 N -2.99 0.00 -0.69 0.00 4.77 -1.26 -3.05 117.00 113.78 2wn2 n LEU 173 Ca -0.02 0.23 0.11 0.00 -0.03 0.00 0.00 56.01 56.30 2wn2 n LEU 173 Cb 0.15 -0.23 0.33 0.00 -2.33 0.00 0.00 43.42 41.33 2wn2 n LEU 173 CO 0.21 -0.10 0.75 -3.20 -1.33 0.00 0.00 177.39 173.72 2wn2 n ASN 174 N -1.23 2.06 -4.15 -1.43 5.15 0.11 -1.14 115.26 114.63 2wn2 n ASN 174 Ca 0.09 -1.79 -0.10 0.00 -0.60 0.00 0.00 54.58 52.19 2wn2 n ASN 174 Cb 0.12 -0.14 -0.10 0.00 -0.53 0.00 0.00 39.78 39.13 2wn2 n ASN 174 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2wn2 s THR 175 N -1.72 0.33 0.00 -0.44 -4.23 -1.17 -4.70 115.64 103.71 2wn2 s THR 175 Ca 0.33 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 2wn2 s THR 175 Cb 0.18 -1.83 0.00 0.00 1.34 0.00 0.00 72.50 72.19 2wn2 s THR 175 CO 0.27 -0.70 0.00 0.61 -0.54 0.00 0.00 174.62 174.26 2wn2 n GLY 176 N -0.05 -0.44 3.23 3.99 0.00 -1.26 -5.00 105.19 105.66 2wn2 n GLY 176 Ca -0.09 -1.78 -0.17 0.00 0.00 0.00 0.00 46.02 43.97 2wn2 n GLY 176 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wn2 s SER 177 N -1.79 1.89 0.00 1.61 0.01 -1.26 -4.74 113.70 109.42 2wn2 s SER 177 Ca 0.00 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 56.47 2wn2 s SER 177 Cb 0.00 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.17 2wn2 s SER 177 CO 0.00 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.11 2wn2 n GLY 178 N 0.61 -2.16 3.69 3.44 0.00 0.11 -4.85 105.19 106.03 2wn2 n GLY 178 Ca -0.16 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 2wn2 n GLY 178 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wn2 s LYS 179 N -0.19 4.20 0.01 1.61 2.47 -1.26 -3.76 119.74 122.81 2wn2 s LYS 179 Ca 0.00 2.33 0.01 0.00 -1.56 0.00 0.00 55.97 56.75 2wn2 s LYS 179 Cb 0.00 -3.58 -0.01 0.00 -1.46 0.00 0.00 37.83 32.78 2wn2 s LYS 179 CO 0.00 -0.73 -0.04 1.03 0.16 0.00 0.00 175.35 175.77 2wn2 s ARG 180 N 2.58 0.34 0.02 4.03 0.52 -0.79 -4.99 118.95 120.66 2wn2 s ARG 180 Ca 0.74 -0.29 0.02 0.00 -0.52 0.00 0.00 55.73 55.68 2wn2 s ARG 180 Cb -0.40 -0.26 -0.01 0.00 0.52 0.00 0.00 34.95 34.80 2wn2 s ARG 180 CO 0.32 0.06 -0.07 -1.21 0.02 0.00 0.00 175.30 174.43 2wn2 s GLU 181 N -0.47 0.50 -0.15 3.54 2.02 -1.26 -1.84 118.70 121.03 2wn2 s GLU 181 Ca -0.02 -0.48 0.02 0.00 0.02 0.00 0.00 54.97 54.51 2wn2 s GLU 181 Cb -0.04 -0.38 0.02 0.00 0.10 0.00 0.00 34.13 33.83 2wn2 s GLU 181 CO -0.00 0.09 -0.19 0.08 0.02 0.00 0.00 175.26 175.25 2wn2 s VAL 182 N -0.74 1.93 -0.21 2.63 1.01 0.27 -4.92 120.40 120.37 2wn2 s VAL 182 Ca -0.04 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.00 2wn2 s VAL 182 Cb -0.06 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 2wn2 s VAL 182 CO 0.00 0.52 0.04 -0.69 0.00 0.00 0.00 175.10 174.97 2wn2 s VAL 183 N 1.08 4.29 -0.29 2.92 1.01 -1.26 -1.03 120.40 127.12 2wn2 s VAL 183 Ca -0.01 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.78 2wn2 s VAL 183 Cb -0.14 -2.95 0.06 0.00 0.00 0.00 0.00 36.38 33.35 2wn2 s VAL 183 CO -0.07 0.41 -0.03 -0.69 0.00 0.00 0.00 175.10 174.72 2wn2 s VAL 184 N 0.99 2.56 0.42 2.92 1.01 0.72 -4.96 120.40 124.06 2wn2 s VAL 184 Ca 0.03 -1.63 -0.26 0.00 0.00 0.00 0.00 61.98 60.12 2wn2 s VAL 184 Cb -0.14 -2.54 -0.08 0.00 0.00 0.00 0.00 36.38 33.61 2wn2 s VAL 184 CO 0.02 -0.15 1.31 -2.84 0.00 0.00 0.00 175.10 173.44 2wn2 s PRO 185 N 1.14 3.91 -0.06 2.72 0.02 -1.26 -0.56 135.00 140.90 2wn2 s PRO 185 Ca -0.05 2.16 0.02 0.00 0.02 0.00 0.00 61.00 63.16 2wn2 s PRO 185 Cb -0.20 -2.71 0.01 0.00 0.02 0.00 0.00 34.50 31.62 2wn2 s PRO 185 CO -0.04 -0.55 -0.12 0.08 -0.33 0.00 0.00 177.00 176.04 2wn2 s VAL 186 N -1.27 1.15 -0.16 3.83 1.01 0.58 -4.88 120.40 120.66 2wn2 s VAL 186 Ca 0.58 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 62.04 2wn2 s VAL 186 Cb -0.38 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 2wn2 s VAL 186 CO 0.49 0.36 -0.05 -0.54 0.00 0.00 0.00 175.10 175.35 2wn2 s LYS 187 N 0.64 3.59 0.60 2.72 1.02 -1.26 -1.32 119.74 125.73 2wn2 s LYS 187 Ca -0.14 -0.56 -0.18 0.00 0.02 0.00 0.00 55.97 55.11 2wn2 s LYS 187 Cb -0.16 -2.88 -0.03 0.00 -0.52 0.00 0.00 37.83 34.24 2wn2 s LYS 187 CO 0.04 0.19 1.17 -0.06 -0.92 0.00 0.00 175.35 175.76 2wn2 s PHE 188 N 0.49 2.49 0.28 3.18 0.08 -0.17 -4.91 117.98 119.41 2wn2 s PHE 188 Ca -0.04 1.54 -0.00 0.00 0.12 0.00 0.00 56.93 58.54 2wn2 s PHE 188 Cb -0.15 -3.37 0.49 0.00 -0.57 0.00 0.00 43.02 39.42 2wn2 s PHE 188 CO 0.03 -1.96 1.87 0.37 -0.10 0.00 0.00 175.22 175.43 2wn2 h GLN 189 N 0.76 1.05 -4.77 0.44 4.15 -1.97 -3.43 115.11 111.36 2wn2 h GLN 189 Ca -0.49 -0.06 -0.27 0.00 0.77 0.00 0.00 58.65 58.59 2wn2 h GLN 189 Cb 1.28 -0.24 -0.17 0.00 0.21 0.00 0.00 27.48 28.56 2wn2 h GLN 189 CO 0.55 0.70 -0.71 -0.59 -1.93 0.00 0.00 178.83 176.84 2wn2 s PHE 190 N -5.99 0.94 0.02 3.99 -0.12 -1.26 -5.12 117.98 110.43 2wn2 s PHE 190 Ca -0.12 -0.75 -0.30 0.00 -0.05 0.00 0.00 56.93 55.70 2wn2 s PHE 190 Cb 0.21 -0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 42.04 2wn2 s PHE 190 CO 0.81 -0.07 1.04 -2.00 -0.05 0.00 0.00 175.22 174.95 2wn2 s GLU 191 N -3.14 4.52 0.57 1.99 2.12 -1.26 -4.91 118.70 118.60 2wn2 s GLU 191 Ca 0.07 1.52 -0.19 0.00 0.36 0.00 0.00 54.97 56.73 2wn2 s GLU 191 Cb 0.00 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 2wn2 s GLU 191 CO -0.02 -0.11 1.14 -0.06 -0.54 0.00 0.00 175.26 175.67 2wn2 s PHE 192 N 1.02 2.61 0.25 5.30 0.08 -0.10 -4.96 117.98 122.16 2wn2 s PHE 192 Ca 0.54 1.54 0.10 0.00 0.12 0.00 0.00 56.93 59.23 2wn2 s PHE 192 Cb -0.23 -3.30 0.30 0.00 -0.57 0.00 0.00 43.02 39.21 2wn2 s PHE 192 CO 0.28 -1.71 1.57 0.00 -0.10 0.00 0.00 175.22 175.27 2wn2 h ALA 193 N 0.93 0.90 -2.29 5.36 0.00 -1.95 -3.46 119.26 118.75 2wn2 h ALA 193 Ca -0.49 -0.60 -0.33 0.00 0.00 0.00 0.00 54.91 53.49 2wn2 h ALA 193 Cb 1.27 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.81 2wn2 h ALA 193 CO 0.56 0.82 -0.64 0.95 0.00 0.00 0.00 179.25 180.94 2wn2 s THR 194 N -3.49 0.70 0.03 0.00 -4.23 -1.26 -5.11 115.64 102.27 2wn2 s THR 194 Ca -0.01 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.20 2wn2 s THR 194 Cb 0.12 -2.35 -0.08 0.00 1.34 0.00 0.00 72.50 71.54 2wn2 s THR 194 CO 0.77 -0.27 1.67 -0.22 -0.54 0.00 0.00 174.62 176.02 2wn2 s LEU 195 N -3.25 4.36 0.60 4.79 2.96 -1.26 -4.79 118.68 122.09 2wn2 s LEU 195 Ca 0.30 2.43 -0.08 0.00 -0.22 0.00 0.00 54.13 56.55 2wn2 s LEU 195 Cb 0.07 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.19 2wn2 s LEU 195 CO 0.08 -0.91 0.95 -2.16 -1.32 0.00 0.00 176.35 173.00 2wn2 s PRO 196 N 3.15 3.19 0.04 0.98 0.04 -1.26 -4.63 135.00 136.51 2wn2 s PRO 196 Ca 0.75 0.32 0.01 0.00 0.04 0.00 0.00 61.00 62.12 2wn2 s PRO 196 Cb -0.38 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 31.93 2wn2 s PRO 196 CO 0.32 -0.65 0.09 0.15 0.04 0.00 0.00 177.00 176.95 2wn2 s LYS 197 N -5.07 3.00 -0.09 4.56 1.02 -0.08 -4.91 119.74 118.17 2wn2 s LYS 197 Ca 0.54 -0.58 0.00 0.00 0.02 0.00 0.00 55.97 55.95 2wn2 s LYS 197 Cb -0.11 -2.81 0.02 0.00 -0.52 0.00 0.00 37.83 34.42 2wn2 s LYS 197 CO 0.49 0.60 -0.07 0.08 -0.92 0.00 0.00 175.35 175.53 2wn2 s VAL 198 N -1.31 0.91 -0.10 3.17 1.01 -1.26 -1.14 120.40 121.67 2wn2 s VAL 198 Ca 0.27 -0.26 -0.14 0.00 0.00 0.00 0.00 61.98 61.85 2wn2 s VAL 198 Cb -0.12 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 2wn2 s VAL 198 CO 0.19 0.33 0.33 0.00 0.00 0.00 0.00 175.10 175.95 2wn2 s ALA 199 N 1.39 3.64 -0.24 5.51 0.00 -0.03 -4.91 121.76 127.14 2wn2 s ALA 199 Ca -0.02 -0.38 -0.03 0.00 0.00 0.00 0.00 51.96 51.54 2wn2 s ALA 199 Cb -0.13 -2.37 0.12 0.00 0.00 0.00 0.00 23.12 20.74 2wn2 s ALA 199 CO -0.04 0.26 0.29 -1.17 0.00 0.00 0.00 175.76 175.10 2wn2 s LEU 200 N -0.13 -0.33 0.07 0.00 2.96 -1.26 -0.39 118.68 119.60 2wn2 s LEU 200 Ca 0.19 -0.22 0.03 0.00 -0.22 0.00 0.00 54.13 53.91 2wn2 s LEU 200 Cb -0.14 0.67 -0.03 0.00 0.50 0.00 0.00 46.19 47.19 2wn2 s LEU 200 CO 0.07 -0.33 -0.09 0.20 -1.32 0.00 0.00 176.35 174.88 2wn2 s ASN 201 N 2.41 1.19 0.30 3.68 0.02 -0.83 -4.73 114.94 116.98 2wn2 s ASN 201 Ca 0.09 -0.70 -0.29 0.00 -1.02 0.00 0.00 52.86 50.94 2wn2 s ASN 201 Cb -0.15 0.02 -0.10 0.00 0.02 0.00 0.00 41.25 41.04 2wn2 s ASN 201 CO -0.19 -0.24 1.24 -0.36 0.02 0.00 0.00 177.10 177.57 2wn2 s PHE 202 N -1.99 3.24 0.00 2.20 0.40 -1.26 -1.99 117.98 118.57 2wn2 s PHE 202 Ca -0.01 1.48 0.00 0.00 -0.60 0.00 0.00 56.93 57.79 2wn2 s PHE 202 Cb -0.06 -3.55 0.00 0.00 0.51 0.00 0.00 43.02 39.92 2wn2 s PHE 202 CO -0.00 -1.46 0.08 -0.40 0.70 0.00 0.00 175.22 174.14 2wn2 n ASP 203 N 1.18 0.16 -3.69 1.36 5.75 -0.47 -4.87 116.55 115.96 2wn2 n ASP 203 Ca 0.00 -0.52 -0.10 0.00 -0.01 0.00 0.00 54.79 54.16 2wn2 n ASP 203 Cb 0.43 0.67 -0.10 0.00 -1.03 0.00 0.00 41.12 41.09 2wn2 n ASP 203 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 2wn2 s GLN 204 N -0.67 0.41 -0.07 0.11 0.74 -1.15 -4.97 119.66 114.06 2wn2 s GLN 204 Ca 0.00 0.84 0.02 0.00 0.05 0.00 0.00 55.36 56.27 2wn2 s GLN 204 Cb 0.00 0.02 0.01 0.00 1.10 0.00 0.00 33.01 34.14 2wn2 s GLN 204 CO 0.00 -0.17 -0.13 0.42 -0.55 0.00 0.00 175.29 174.87 2wn2 s ILE 205 N 1.52 1.18 -0.31 -2.34 1.01 -1.26 -1.11 121.20 119.88 2wn2 s ILE 205 Ca -0.09 -0.50 -0.03 0.00 0.00 0.00 0.00 60.65 60.03 2wn2 s ILE 205 Cb -0.08 -1.08 0.11 0.00 0.01 0.00 0.00 42.46 41.42 2wn2 s ILE 205 CO -0.13 0.37 0.15 -0.62 0.00 0.00 0.00 174.94 174.71 2wn2 s ASP 206 N 0.68 3.38 0.08 3.58 -1.08 -0.84 -5.03 116.67 117.44 2wn2 s ASP 206 Ca -0.14 -1.56 -0.09 0.00 -0.52 0.00 0.00 52.55 50.23 2wn2 s ASP 206 Cb -0.16 -0.37 0.00 0.00 -1.46 0.00 0.00 42.92 40.93 2wn2 s ASP 206 CO 0.04 -0.40 0.21 0.00 0.52 0.00 0.00 175.17 175.53 2wn2 s THR 208 N -3.58 4.96 0.76 0.00 2.01 0.32 -4.94 115.64 115.17 2wn2 s THR 208 Ca 0.03 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 61.92 2wn2 s THR 208 Cb 0.03 -3.13 0.05 0.00 0.01 0.00 0.00 72.50 69.46 2wn2 s THR 208 CO -0.10 0.61 1.08 1.51 -0.69 0.00 0.00 174.62 177.04 2wn2 s ASP 209 N -0.95 4.74 -0.22 3.53 1.47 -1.26 -3.98 116.67 119.99 2wn2 s ASP 209 Ca 0.14 1.56 -0.02 0.00 1.18 0.00 0.00 52.55 55.42 2wn2 s ASP 209 Cb -0.12 -2.34 0.06 0.00 -0.34 0.00 0.00 42.92 40.18 2wn2 s ASP 209 CO 0.03 -1.85 0.02 0.00 0.68 0.00 0.00 175.17 174.05 2wn2 s ALA 210 N -3.03 1.31 -1.42 2.11 0.00 -0.31 -4.75 121.76 115.67 2wn2 s ALA 210 Ca 0.60 -0.98 -0.07 0.00 0.00 0.00 0.00 51.96 51.52 2wn2 s ALA 210 Cb -0.15 -1.30 0.01 0.00 0.00 0.00 0.00 23.12 21.68 2wn2 s ALA 210 CO 0.55 -1.24 0.32 2.41 0.00 0.00 0.00 175.76 177.80 2wn2 n THR 211 N 4.93 -2.43 -0.86 0.00 -1.04 -1.26 -0.90 114.28 112.73 2wn2 n THR 211 Ca -0.09 -0.55 0.00 0.00 -2.04 0.00 0.00 64.05 61.37 2wn2 n THR 211 Cb 0.46 -2.09 0.00 0.00 -1.82 0.00 0.00 70.33 66.88 2wn2 n THR 211 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2wn2 n ASN 212 N -2.81 -1.81 -4.82 8.00 3.02 -1.26 -5.00 115.26 110.59 2wn2 n ASN 212 Ca -0.27 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 53.91 2wn2 n ASN 212 Cb 0.67 -1.51 -0.07 0.00 -0.61 0.00 0.00 39.78 38.26 2wn2 n ASN 212 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2wn2 s GLN 213 N -0.68 3.78 -0.17 3.52 2.00 -0.07 -5.00 119.66 123.04 2wn2 s GLN 213 Ca 0.00 -0.10 -0.08 0.00 -2.00 0.00 0.00 55.36 53.18 2wn2 s GLN 213 Cb 0.00 -3.29 -0.04 0.00 0.80 0.00 0.00 33.01 30.48 2wn2 s GLN 213 CO 0.00 0.57 0.11 0.99 -0.50 0.00 0.00 175.29 176.46 2wn2 s THR 214 N -0.46 5.23 -0.19 -0.34 2.01 -1.26 -1.17 115.64 119.46 2wn2 s THR 214 Ca 0.13 0.12 -0.05 0.00 0.31 0.00 0.00 61.69 62.21 2wn2 s THR 214 Cb -0.12 -3.34 0.07 0.00 0.01 0.00 0.00 72.50 69.11 2wn2 s THR 214 CO 0.03 0.50 0.09 -0.13 -0.69 0.00 0.00 174.62 174.42 2wn2 s ARG 215 N -0.06 0.12 0.01 4.92 0.52 -1.26 -5.07 118.95 118.13 2wn2 s ARG 215 Ca 0.09 -0.18 -0.07 0.00 -0.52 0.00 0.00 55.73 55.05 2wn2 s ARG 215 Cb -0.12 -1.75 0.00 0.00 0.52 0.00 0.00 34.95 33.61 2wn2 s ARG 215 CO 0.00 -0.72 0.13 0.96 0.02 0.00 0.00 175.30 175.69 2wn2 s ILE 216 N 2.11 0.09 0.11 1.52 -4.36 -1.26 -4.51 121.20 114.90 2wn2 s ILE 216 Ca 0.03 -0.72 -0.20 0.00 -0.26 0.00 0.00 60.65 59.50 2wn2 s ILE 216 Cb -0.16 -0.46 0.05 0.00 1.25 0.00 0.00 42.46 43.14 2wn2 s ILE 216 CO -0.13 -0.40 0.49 -0.83 0.24 0.00 0.00 174.94 174.31 2wn2 s GLY 217 N -1.44 -0.41 -0.15 6.27 0.00 -0.79 -5.00 107.32 105.80 2wn2 s GLY 217 Ca -0.14 0.29 -0.13 0.00 0.00 0.00 0.00 44.72 44.74 2wn2 s GLY 217 CO 0.01 0.00 0.40 0.54 0.00 0.00 0.00 173.10 174.05 2wn2 s VAL 218 N -3.36 -0.00 -0.26 1.40 0.11 -1.26 -1.35 120.40 115.68 2wn2 s VAL 218 Ca -0.00 0.01 -0.24 0.00 -2.93 0.00 0.00 61.98 58.82 2wn2 s VAL 218 Cb 0.00 -0.56 0.07 0.00 -1.53 0.00 0.00 36.38 34.37 2wn2 s VAL 218 CO -0.09 0.00 0.70 -1.58 -3.33 0.00 0.00 175.10 170.80 2wn2 s GLN 219 N 0.31 0.81 0.50 1.54 2.00 -0.41 -4.93 119.66 119.49 2wn2 s GLN 219 Ca -0.01 0.99 -0.20 0.00 -2.00 0.00 0.00 55.36 54.14 2wn2 s GLN 219 Cb -0.03 0.39 -0.08 0.00 0.80 0.00 0.00 33.01 34.09 2wn2 s GLN 219 CO -0.01 -0.10 1.07 -2.14 -0.50 0.00 0.00 175.29 173.62 2wn2 s PRO 220 N 0.44 3.68 0.01 1.67 0.02 -1.26 -0.97 135.00 138.59 2wn2 s PRO 220 Ca -0.01 1.46 0.01 0.00 0.02 0.00 0.00 61.00 62.49 2wn2 s PRO 220 Cb -0.05 -2.10 -0.01 0.00 0.02 0.00 0.00 34.50 32.36 2wn2 s PRO 220 CO -0.00 -0.55 -0.04 0.50 -0.33 0.00 0.00 177.00 176.58 2wn2 s ARG 221 N -3.18 0.29 -1.11 5.54 3.52 0.34 -4.90 118.95 119.45 2wn2 s ARG 221 Ca 0.68 -0.32 -0.03 0.00 -0.13 0.00 0.00 55.73 55.93 2wn2 s ARG 221 Cb -0.19 -0.15 0.00 0.00 -1.56 0.00 0.00 34.95 33.05 2wn2 s ARG 221 CO 0.23 0.03 0.94 0.09 -0.81 0.00 0.00 175.30 175.78 2wn2 n ASN 222 N 2.43 -3.61 -4.71 -2.12 3.02 -1.26 -0.91 115.26 108.11 2wn2 n ASN 222 Ca -0.17 -0.51 -0.42 0.00 -0.03 0.00 0.00 54.58 53.45 2wn2 n ASN 222 Cb 0.57 -4.51 -0.03 0.00 -0.61 0.00 0.00 39.78 35.20 2wn2 n ASN 222 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2wn2 s ILE 223 N -3.30 3.05 0.34 2.41 1.01 -1.26 -4.43 121.20 119.03 2wn2 s ILE 223 Ca 0.21 0.68 0.02 0.00 0.00 0.00 0.00 60.65 61.56 2wn2 s ILE 223 Cb -0.09 -3.43 -0.01 0.00 0.01 0.00 0.00 42.46 38.93 2wn2 s ILE 223 CO 0.64 0.03 0.08 0.35 0.00 0.00 0.00 174.94 176.04 2wn2 n THR 224 N 4.23 0.00 0.30 2.92 -2.24 -0.03 -5.00 114.28 114.47 2wn2 n THR 224 Ca 0.14 -1.85 0.13 0.00 -2.27 0.00 0.00 64.05 60.19 2wn2 n THR 224 Cb 0.41 0.57 0.60 0.00 -2.10 0.00 0.00 70.33 69.80 2wn2 n THR 224 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2wn2 h THR 225 N 1.42 0.00 0.00 4.28 1.35 -1.87 -3.20 112.91 114.88 2wn2 h THR 225 Ca -0.27 -0.17 -0.15 0.00 -0.55 0.00 0.00 66.41 65.26 2wn2 h THR 225 Cb 0.96 0.87 -0.03 0.00 -1.73 0.00 0.00 68.15 68.22 2wn2 h THR 225 CO 0.44 0.00 -2.12 0.29 -0.25 0.00 0.00 175.52 173.89 2wn2 n LYS 226 N -2.40 0.67 -3.75 4.72 5.02 -1.26 -0.93 118.16 120.23 2wn2 n LYS 226 Ca 0.00 -0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 2wn2 n LYS 226 Cb 0.16 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 2wn2 n LYS 226 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wn2 n GLY 227 N 1.45 -0.63 3.72 0.72 0.00 -1.21 -1.00 105.19 108.24 2wn2 n GLY 227 Ca -0.15 -1.01 -0.04 0.00 0.00 0.00 0.00 46.02 44.82 2wn2 n GLY 227 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wn2 s PHE 228 N -3.00 -0.17 -0.29 1.61 -0.71 -0.43 -0.85 117.98 114.14 2wn2 s PHE 228 Ca 0.00 -0.12 -0.12 0.00 -1.04 0.00 0.00 56.93 55.65 2wn2 s PHE 228 Cb 0.00 0.63 -0.04 0.00 -1.21 0.00 0.00 43.02 42.40 2wn2 s PHE 228 CO 0.00 -0.80 0.25 -0.51 -1.34 0.00 0.00 175.22 172.82 2wn2 s ASP 229 N -2.88 6.09 -0.50 1.98 1.01 -0.08 -0.31 116.67 121.99 2wn2 s ASP 229 Ca 0.11 -0.01 -0.27 0.00 0.71 0.00 0.00 52.55 53.09 2wn2 s ASP 229 Cb -0.01 -2.15 0.03 0.00 1.01 0.00 0.00 42.92 41.80 2wn2 s ASP 229 CO 0.01 -0.13 1.05 0.00 0.21 0.00 0.00 175.17 176.31 2wn2 s VAL 231 N 4.24 5.02 0.03 0.00 1.01 -0.14 -0.20 120.40 130.37 2wn2 s VAL 231 Ca 0.42 -0.88 -0.16 0.00 0.00 0.00 0.00 61.98 61.36 2wn2 s VAL 231 Cb -0.09 -3.88 -0.06 0.00 0.00 0.00 0.00 36.38 32.35 2wn2 s VAL 231 CO 0.28 -0.39 0.46 -0.36 0.00 0.00 0.00 175.10 175.08 2wn2 s PHE 232 N 1.62 3.74 0.15 5.22 0.08 -0.20 -1.28 117.98 127.31 2wn2 s PHE 232 Ca 0.04 1.06 -0.16 0.00 0.12 0.00 0.00 56.93 57.99 2wn2 s PHE 232 Cb -0.21 -2.34 0.03 0.00 -0.57 0.00 0.00 43.02 39.93 2wn2 s PHE 232 CO 0.08 0.62 0.43 1.52 -0.10 0.00 0.00 175.22 177.77 2wn2 s TYR 233 N -1.12 -0.11 0.30 0.36 -0.85 -0.45 -0.56 117.35 114.91 2wn2 s TYR 233 Ca 0.26 -0.22 -0.01 0.00 -0.52 0.00 0.00 57.07 56.58 2wn2 s TYR 233 Cb -0.17 0.28 -0.01 0.00 0.38 0.00 0.00 41.96 42.43 2wn2 s TYR 233 CO 0.15 -0.78 0.36 -0.08 -1.52 0.00 0.00 175.55 173.68 2wn2 s THR 234 N -3.84 0.00 0.28 -3.49 -1.32 -0.76 -1.88 115.64 104.62 2wn2 s THR 234 Ca 0.07 -1.75 -0.06 0.00 -1.21 0.00 0.00 61.69 58.73 2wn2 s THR 234 Cb 0.01 -2.52 0.02 0.00 -1.51 0.00 0.00 72.50 68.50 2wn2 s THR 234 CO -0.08 0.00 0.47 -2.67 -2.21 0.00 0.00 174.62 170.14 2wn2 n TRP 235 N -0.50 -1.60 -4.14 9.09 2.14 -1.26 -1.89 117.44 119.29 2wn2 n TRP 235 Ca 0.02 -1.56 0.00 0.00 2.07 0.00 0.00 57.50 58.04 2wn2 n TRP 235 Cb 0.63 0.54 0.00 0.00 -0.81 0.00 0.00 31.31 31.67 2wn2 n TRP 235 CO 0.00 0.00 0.00 -1.71 2.07 0.00 0.00 177.69 178.05 2wn2 n ASN 236 N -1.57 0.00 -0.73 -0.67 2.85 -1.25 -2.75 115.26 111.14 2wn2 n ASN 236 Ca -0.03 0.00 0.09 0.00 -0.11 0.00 0.00 54.58 54.53 2wn2 n ASN 236 Cb 0.44 0.00 0.28 0.00 1.24 0.00 0.00 39.78 41.73 2wn2 n ASN 236 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2wn2 n GLU 237 N 8.84 1.95 -2.25 1.20 -0.58 -1.26 0.09 120.64 128.62 2wn2 n GLU 237 Ca 0.00 -1.44 -0.37 0.00 -0.42 0.00 0.00 57.16 54.92 2wn2 n GLU 237 Cb 0.00 -1.39 -0.01 0.00 -0.57 0.00 0.00 31.44 29.47 2wn2 n GLU 237 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2wn2 s ASN 238 N -1.33 6.24 -0.16 1.62 -0.87 -1.11 -4.92 114.94 114.41 2wn2 s ASN 238 Ca 0.32 2.34 0.01 0.00 -1.57 0.00 0.00 52.86 53.95 2wn2 s ASN 238 Cb 0.17 -2.61 0.01 0.00 -0.02 0.00 0.00 41.25 38.80 2wn2 s ASN 238 CO 0.24 -0.87 -0.18 -0.54 -2.57 0.00 0.00 177.10 173.18 2wn2 s LYS 239 N -2.59 3.11 -0.20 -0.60 -0.14 -1.26 -4.76 119.74 113.30 2wn2 s LYS 239 Ca 0.62 -0.80 0.01 0.00 -1.36 0.00 0.00 55.97 54.44 2wn2 s LYS 239 Cb -0.30 -2.56 0.03 0.00 -1.68 0.00 0.00 37.83 33.32 2wn2 s LYS 239 CO 0.36 -0.05 -0.18 0.08 -0.76 0.00 0.00 175.35 174.81 2wn2 s VAL 240 N 0.94 2.12 0.01 3.17 1.01 -0.29 -0.52 120.40 126.84 2wn2 s VAL 240 Ca -0.03 -1.06 -0.18 0.00 0.00 0.00 0.00 61.98 60.70 2wn2 s VAL 240 Cb -0.15 -1.96 -0.26 0.00 0.00 0.00 0.00 36.38 34.01 2wn2 s VAL 240 CO -0.03 0.43 1.07 0.22 0.00 0.00 0.00 175.10 176.78 2wn2 h TYR 241 N 7.91 0.75 -2.71 5.22 3.20 -1.33 -2.17 116.97 127.85 2wn2 h TYR 241 Ca -0.41 -0.45 0.01 0.00 3.14 0.00 0.00 58.73 61.03 2wn2 h TYR 241 Cb 1.12 -0.07 -0.14 0.00 1.54 0.00 0.00 36.73 39.19 2wn2 h TYR 241 CO 0.50 1.29 0.29 -1.54 -1.64 0.00 0.00 178.16 177.06 2wn2 s SER 242 N -7.02 -0.52 -0.03 -2.11 1.04 -0.71 -0.89 113.70 103.46 2wn2 s SER 242 Ca -0.12 0.07 -0.04 0.00 0.48 0.00 0.00 55.95 56.34 2wn2 s SER 242 Cb 0.04 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.70 2wn2 s SER 242 CO 0.86 -0.84 0.10 -0.76 0.98 0.00 0.00 173.24 173.58 2wn2 s LEU 243 N -2.52 1.64 0.03 2.42 1.43 -1.26 -1.99 118.68 118.44 2wn2 s LEU 243 Ca 0.01 0.10 0.05 0.00 -1.03 0.00 0.00 54.13 53.26 2wn2 s LEU 243 Cb -0.01 0.38 -0.02 0.00 0.03 0.00 0.00 46.19 46.57 2wn2 s LEU 243 CO -0.10 -0.10 -0.14 -0.60 0.23 0.00 0.00 176.35 175.64 2wn2 s ARG 244 N -0.24 0.96 0.02 1.70 3.52 -0.27 -1.46 118.95 123.18 2wn2 s ARG 244 Ca -0.03 -0.73 -0.04 0.00 -0.13 0.00 0.00 55.73 54.80 2wn2 s ARG 244 Cb -0.02 -0.97 -0.01 0.00 -1.56 0.00 0.00 34.95 32.39 2wn2 s ARG 244 CO 0.00 0.24 0.05 0.00 -0.81 0.00 0.00 175.30 174.78 2wn2 s ALA 245 N -0.80 -0.04 0.09 6.12 0.00 -0.37 -1.37 121.76 125.39 2wn2 s ALA 245 Ca 0.02 -0.47 0.04 0.00 0.00 0.00 0.00 51.96 51.55 2wn2 s ALA 245 Cb -0.08 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 2wn2 s ALA 245 CO 0.01 -0.22 0.05 -0.51 0.00 0.00 0.00 175.76 175.09 2wn2 s ASP 246 N -1.67 5.30 0.21 0.00 1.01 -0.84 -0.61 116.67 120.08 2wn2 s ASP 246 Ca -0.12 -0.10 0.11 0.00 0.71 0.00 0.00 52.55 53.15 2wn2 s ASP 246 Cb -0.06 -1.35 -0.05 0.00 1.01 0.00 0.00 42.92 42.47 2wn2 s ASP 246 CO -0.01 0.16 -0.22 -0.72 0.21 0.00 0.00 175.17 174.59 2wn2 s TYR 247 N -1.39 2.19 -0.12 4.23 1.13 0.09 -1.96 117.35 121.52 2wn2 s TYR 247 Ca 0.28 -0.38 -0.01 0.00 -1.41 0.00 0.00 57.07 55.55 2wn2 s TYR 247 Cb -0.12 -1.04 0.03 0.00 -1.10 0.00 0.00 41.96 39.73 2wn2 s TYR 247 CO 0.21 0.53 -0.03 0.42 -2.51 0.00 0.00 175.55 174.16 2wn2 s ILE 248 N -2.03 0.77 -0.14 -3.49 1.09 0.47 -1.23 121.20 116.64 2wn2 s ILE 248 Ca 0.23 -0.23 0.01 0.00 -1.10 0.00 0.00 60.65 59.55 2wn2 s ILE 248 Cb -0.06 -0.91 -0.00 0.00 -1.06 0.00 0.00 42.46 40.42 2wn2 s ILE 248 CO 0.11 0.23 -0.16 0.00 -0.10 0.00 0.00 174.94 175.02 2wn2 s ALA 249 N 1.80 2.49 -0.05 9.38 0.00 0.10 -0.85 121.76 134.63 2wn2 s ALA 249 Ca 0.04 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 51.01 2wn2 s ALA 249 Cb -0.13 -1.18 0.01 0.00 0.00 0.00 0.00 23.12 21.82 2wn2 s ALA 249 CO -0.07 0.05 -0.10 0.99 0.00 0.00 0.00 175.76 176.63 2wn2 s THR 250 N 0.68 0.96 0.05 0.00 2.01 -0.29 -0.81 115.64 118.24 2wn2 s THR 250 Ca -0.08 -0.40 0.06 0.00 0.31 0.00 0.00 61.69 61.59 2wn2 s THR 250 Cb -0.16 -0.88 -0.03 0.00 0.01 0.00 0.00 72.50 71.44 2wn2 s THR 250 CO 0.02 0.31 -0.14 0.00 -0.69 0.00 0.00 174.62 174.12 2wn2 s ALA 251 N 0.58 2.76 0.04 7.40 0.00 -0.03 -0.90 121.76 131.60 2wn2 s ALA 251 Ca -0.11 -1.18 0.05 0.00 0.00 0.00 0.00 51.96 50.72 2wn2 s ALA 251 Cb -0.14 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 2wn2 s ALA 251 CO 0.02 0.60 -0.08 -0.51 0.00 0.00 0.00 175.76 175.79 2wn2 s LEU 252 N -1.64 3.12 0.00 0.00 1.43 -1.26 -0.73 118.68 119.60 2wn2 s LEU 252 Ca 0.17 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 2wn2 s LEU 252 Cb -0.11 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.28 2wn2 s LEU 252 CO 0.08 0.24 0.00 -0.62 0.23 0.00 0.00 176.35 176.28