#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wn2 h SER 2 N 0.00 0.00 -0.42 7.83 4.64 -2.08 -1.89 113.55 121.63 2wn2 h SER 2 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wn2 h SER 2 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2wn2 h SER 2 CO 0.00 0.02 0.00 0.35 -0.87 0.00 0.00 176.83 176.33 2wn2 n THR 3 N -4.29 2.24 -1.67 2.95 -2.24 -1.26 -5.01 114.28 105.01 2wn2 n THR 3 Ca -0.03 -1.56 -0.45 0.00 -2.27 0.00 0.00 64.05 59.75 2wn2 n THR 3 Cb 0.11 -0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.18 2wn2 n THR 3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wn2 n GLN 4 N 0.17 2.02 -0.81 -0.78 10.64 -0.71 -1.93 117.38 125.97 2wn2 n GLN 4 Ca 0.23 0.72 0.00 0.00 -1.83 0.00 0.00 57.00 56.12 2wn2 n GLN 4 Cb 0.94 -2.37 0.00 0.00 -0.86 0.00 0.00 30.24 27.95 2wn2 n GLN 4 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2wn2 n GLY 5 N 2.10 1.01 3.96 2.61 0.00 -1.26 -5.03 105.19 108.59 2wn2 n GLY 5 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 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 4.32 -0.07 0.99 1.43 -0.82 -4.53 118.68 120.00 2wn2 s LEU 6 Ca 0.00 0.13 -0.25 0.00 -1.03 0.00 0.00 54.13 52.98 2wn2 s LEU 6 Cb 0.00 -2.90 -0.03 0.00 0.03 0.00 0.00 46.19 43.29 2wn2 s LEU 6 CO 0.00 -0.02 0.79 -0.69 0.23 0.00 0.00 176.35 176.66 2wn2 s VAL 7 N -1.87 4.97 -0.68 -1.59 1.01 0.11 -4.86 120.40 117.50 2wn2 s VAL 7 Ca 0.34 1.62 -0.25 0.00 0.00 0.00 0.00 61.98 63.70 2wn2 s VAL 7 Cb -0.10 -4.12 0.05 0.00 0.00 0.00 0.00 36.38 32.21 2wn2 s VAL 7 CO 0.29 0.19 1.10 -1.10 0.00 0.00 0.00 175.10 175.58 2wn2 s GLN 8 N 1.12 3.17 0.06 2.72 -0.21 -1.26 -1.14 119.66 124.12 2wn2 s GLN 8 Ca 0.41 -0.51 -0.29 0.00 0.02 0.00 0.00 55.36 54.99 2wn2 s GLN 8 Cb -0.18 -4.19 -0.18 0.00 1.00 0.00 0.00 33.01 29.46 2wn2 s GLN 8 CO 0.19 -1.93 1.57 1.25 -2.12 0.00 0.00 175.29 174.25 2wn2 h LEU 9 N 12.05 -0.52 -0.79 2.90 5.85 -1.58 -1.98 115.31 131.23 2wn2 h LEU 9 Ca -0.28 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.38 2wn2 h LEU 9 Cb 1.06 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 2wn2 h LEU 9 CO 1.22 -0.32 0.32 -0.07 -0.34 0.00 0.00 178.44 179.24 2wn2 h LEU 10 N -0.69 1.09 -1.34 2.25 4.07 -1.91 -0.82 115.31 117.96 2wn2 h LEU 10 Ca -0.06 -0.17 -0.03 0.00 0.08 0.00 0.00 57.88 57.69 2wn2 h LEU 10 Cb 0.51 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.95 2wn2 h LEU 10 CO 0.10 0.97 0.08 0.00 -1.08 0.00 0.00 178.44 178.51 2wn2 h ALA 11 N 1.17 1.47 -0.16 1.53 0.00 -1.92 -1.31 119.26 120.04 2wn2 h ALA 11 Ca 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2wn2 h ALA 11 Cb 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2wn2 h ALA 11 CO -0.02 0.39 0.00 0.09 0.00 0.00 0.00 179.25 179.71 2wn2 n ASN 12 N -4.34 1.45 -3.75 0.00 3.02 -0.75 -4.94 115.26 105.96 2wn2 n ASN 12 Ca 0.02 -1.70 -0.28 0.00 -0.03 0.00 0.00 54.58 52.59 2wn2 n ASN 12 Cb 0.19 -0.10 0.04 0.00 -0.61 0.00 0.00 39.78 39.29 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 0.19 -1.25 1.36 5.41 0.00 -0.50 -4.88 120.51 120.84 2wn2 n ALA 13 Ca 0.15 0.25 0.14 0.00 0.00 0.00 0.00 53.44 53.98 2wn2 n ALA 13 Cb 0.29 -4.61 0.49 0.00 0.00 0.00 0.00 19.45 15.62 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 -4.66 0.95 -4.19 0.00 1.13 -0.36 -4.91 117.38 105.32 2wn2 n GLN 14 Ca 0.02 -0.49 -0.15 0.00 -1.94 0.00 0.00 57.00 54.45 2wn2 n GLN 14 Cb 0.54 -1.49 -0.11 0.00 0.11 0.00 0.00 30.24 29.29 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 -2.56 3.63 -0.18 0.00 2.46 -0.47 -4.86 115.29 113.33 2wn2 s HIS 16 Ca 0.07 1.45 0.01 0.00 0.47 0.00 0.00 55.06 57.07 2wn2 s HIS 16 Cb -0.02 -2.67 0.01 0.00 -0.13 0.00 0.00 32.58 29.77 2wn2 s HIS 16 CO 0.00 0.29 -0.18 -0.51 -2.47 0.00 0.00 174.74 171.87 2wn2 s LEU 17 N -2.07 2.24 -0.07 8.88 1.43 -1.26 -0.86 118.68 126.97 2wn2 s LEU 17 Ca 0.45 -0.60 0.03 0.00 -1.03 0.00 0.00 54.13 52.99 2wn2 s LEU 17 Cb -0.16 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 2wn2 s LEU 17 CO 0.21 0.02 -0.17 -0.60 0.23 0.00 0.00 176.35 176.04 2wn2 s ARG 18 N 1.19 2.73 0.25 1.70 3.52 -0.55 -4.99 118.95 122.81 2wn2 s ARG 18 Ca 0.02 -0.75 0.11 0.00 -0.13 0.00 0.00 55.73 54.98 2wn2 s ARG 18 Cb -0.14 -2.38 -0.05 0.00 -1.56 0.00 0.00 34.95 30.83 2wn2 s ARG 18 CO -0.09 0.46 -0.13 0.95 -0.81 0.00 0.00 175.30 175.67 2wn2 s THR 19 N -0.31 2.84 0.02 4.11 -4.23 -1.26 -0.25 115.64 116.55 2wn2 s THR 19 Ca 0.02 -2.11 -0.26 0.00 -1.18 0.00 0.00 61.69 58.16 2wn2 s THR 19 Cb -0.13 -2.47 -0.17 0.00 1.34 0.00 0.00 72.50 71.07 2wn2 s THR 19 CO 0.02 -0.31 1.30 0.77 -0.54 0.00 0.00 174.62 175.86 2wn2 h SER 20 N 2.38 -0.38 -5.13 3.99 4.64 -1.66 -3.47 113.55 113.93 2wn2 h SER 20 Ca -0.43 -0.14 -0.10 0.00 -0.47 0.00 0.00 61.79 60.64 2wn2 h SER 20 Cb 1.24 0.10 -0.16 0.00 -0.31 0.00 0.00 62.40 63.27 2wn2 h SER 20 CO 0.58 -0.05 -0.44 0.42 -0.87 0.00 0.00 176.83 176.47 2wn2 s THR 21 N -4.89 0.14 -0.07 2.95 -4.23 -1.26 -5.03 115.64 103.25 2wn2 s THR 21 Ca -0.14 -1.16 0.04 0.00 -1.18 0.00 0.00 61.69 59.25 2wn2 s THR 21 Cb 0.02 -1.15 0.00 0.00 1.34 0.00 0.00 72.50 72.71 2wn2 s THR 21 CO 0.56 -0.64 -0.20 0.20 -0.54 0.00 0.00 174.62 174.00 2wn2 s ASN 22 N -2.51 2.54 0.24 3.99 0.01 -1.26 -4.03 114.94 113.92 2wn2 s ASN 22 Ca 0.00 -0.44 -0.05 0.00 -0.71 0.00 0.00 52.86 51.67 2wn2 s ASN 22 Cb 0.02 -0.96 0.43 0.00 0.41 0.00 0.00 41.25 41.15 2wn2 s ASN 22 CO -0.08 0.14 1.72 0.22 -1.51 0.00 0.00 177.10 177.60 2wn2 h TYR 23 N 6.53 0.46 -1.77 2.20 3.20 -0.93 -3.38 116.97 123.29 2wn2 h TYR 23 Ca -0.27 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.63 2wn2 h TYR 23 Cb 1.20 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.38 2wn2 h TYR 23 CO 0.46 0.05 0.00 0.27 -1.64 0.00 0.00 178.16 177.29 2wn2 n ASN 24 N -5.02 0.00 -0.05 -2.11 0.23 -1.26 -4.82 115.26 102.22 2wn2 n ASN 24 Ca 0.13 -0.79 0.16 0.00 -0.53 0.00 0.00 54.58 53.55 2wn2 n ASN 24 Cb 0.40 0.00 0.89 0.00 -2.08 0.00 0.00 39.78 38.99 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 -0.93 0.23 4.83 0.00 -1.26 -2.71 105.19 105.34 2wn2 n GLY 25 Ca 0.00 -0.22 0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.92 1.97 -1.88 1.61 0.24 -1.26 -4.51 118.33 113.57 2wn2 n VAL 26 Ca 0.22 -2.20 0.05 0.00 -2.04 0.00 0.00 64.34 60.38 2wn2 n VAL 26 Cb 0.15 -0.24 0.14 0.00 -1.47 0.00 0.00 33.84 32.41 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 -1.26 0.00 -2.38 6.34 8.25 -1.10 -2.14 115.22 122.93 2wn2 n HIS 27 Ca 0.17 -1.09 -0.25 0.00 -0.26 0.00 0.00 57.72 56.29 2wn2 n HIS 27 Cb 0.69 -0.20 0.15 0.00 1.12 0.00 0.00 29.99 31.74 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 -0.56 0.00 0.19 1.59 -2.24 -1.26 -1.16 114.28 110.84 2wn2 n THR 28 Ca 0.14 -1.37 0.10 0.00 -2.27 0.00 0.00 64.05 60.64 2wn2 n THR 28 Cb 0.84 -1.10 0.52 0.00 -2.10 0.00 0.00 70.33 68.49 2wn2 n THR 28 CO 0.00 0.00 0.00 0.06 -0.57 0.00 0.00 175.07 174.56 2wn2 h GLN 29 N 0.00 0.00 -0.00 -0.78 -0.00 -1.94 -0.48 115.11 111.91 2wn2 h GLN 29 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.29 2wn2 h GLN 29 Cb 1.20 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.68 2wn2 h GLN 29 CO 0.34 0.00 0.00 0.74 -0.00 0.00 0.00 178.83 179.91 2wn2 h PHE 30 N 0.00 0.00 -0.35 0.06 0.04 -1.95 -2.73 116.94 112.01 2wn2 h PHE 30 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2wn2 h PHE 30 Cb 0.37 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.52 2wn2 h PHE 30 CO 0.00 0.00 0.00 0.09 -0.60 0.00 0.00 178.31 177.80 2wn2 n ASN 31 N -3.29 4.38 0.05 2.17 4.13 -0.19 -4.72 115.26 117.80 2wn2 n ASN 31 Ca -0.03 -2.99 0.11 0.00 1.68 0.00 0.00 54.58 53.36 2wn2 n ASN 31 Cb 0.08 -0.58 -0.02 0.00 -1.54 0.00 0.00 39.78 37.72 2wn2 n ASN 31 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2wn2 n SER 32 N -0.19 0.58 -4.75 6.41 3.41 -1.03 -2.75 113.62 115.29 2wn2 n SER 32 Ca 0.23 0.04 -0.41 0.00 -0.26 0.00 0.00 58.87 58.47 2wn2 n SER 32 Cb 0.97 0.88 -0.01 0.00 -0.26 0.00 0.00 64.21 65.79 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 -3.32 3.72 0.12 7.33 0.00 -1.26 -0.76 121.76 127.59 2wn2 s ALA 33 Ca -0.00 1.57 -0.34 0.00 0.00 0.00 0.00 51.96 53.19 2wn2 s ALA 33 Cb 0.12 -3.64 -0.18 0.00 0.00 0.00 0.00 23.12 19.43 2wn2 s ALA 33 CO 0.82 -0.99 0.93 -0.11 0.00 0.00 0.00 175.76 176.41 2wn2 n LEU 34 N 1.97 0.11 -0.70 0.00 7.94 -0.71 -0.75 117.00 124.86 2wn2 n LEU 34 Ca 0.07 1.15 -0.09 0.00 -1.11 0.00 0.00 56.01 56.03 2wn2 n LEU 34 Cb 0.38 -1.03 -0.04 0.00 0.53 0.00 0.00 43.42 43.26 2wn2 n LEU 34 CO 0.64 -2.04 -0.09 0.59 -1.11 0.00 0.00 177.39 175.38 2wn2 n ASN 35 N 1.82 -5.23 -4.70 1.96 3.02 -1.26 -4.95 115.26 105.91 2wn2 n ASN 35 Ca 0.18 0.23 -0.44 0.00 -0.03 0.00 0.00 54.58 54.52 2wn2 n ASN 35 Cb 0.19 -3.54 -0.03 0.00 -0.61 0.00 0.00 39.78 35.78 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 -2.36 2.58 -4.15 3.10 4.19 0.07 -4.99 117.16 115.60 2wn2 n TYR 36 Ca -0.09 0.13 -0.15 0.00 3.31 0.00 0.00 57.90 61.10 2wn2 n TYR 36 Cb 0.49 -2.62 -0.12 0.00 0.49 0.00 0.00 39.34 37.57 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 1.00 0.60 0.00 2.98 1.02 -1.26 -4.81 119.74 119.27 2wn2 s LYS 37 Ca 0.76 -0.65 0.00 0.00 0.02 0.00 0.00 55.97 56.10 2wn2 s LYS 37 Cb -0.57 -0.48 0.00 0.00 -0.52 0.00 0.00 37.83 36.26 2wn2 s LYS 37 CO 0.35 0.11 0.00 0.27 -0.92 0.00 0.00 175.35 175.16 2wn2 n ASN 38 N 1.86 1.24 -4.58 2.83 0.23 -1.26 -5.07 115.26 110.50 2wn2 n ASN 38 Ca -0.20 -0.08 -0.42 0.00 -0.53 0.00 0.00 54.58 53.35 2wn2 n ASN 38 Cb 0.55 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.23 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 0.83 6.32 0.00 0.53 3.84 -1.26 -4.86 114.94 120.33 2wn2 s ASN 39 Ca 0.00 0.22 0.23 0.00 0.21 0.00 0.00 52.86 53.52 2wn2 s ASN 39 Cb 0.00 -2.55 1.01 0.00 -0.55 0.00 0.00 41.25 39.16 2wn2 s ASN 39 CO 0.00 -1.57 1.74 0.61 -2.79 0.00 0.00 177.10 175.09 2wn2 n GLY 40 N 5.14 -1.26 0.30 1.21 0.00 -1.26 -3.01 105.19 106.31 2wn2 n GLY 40 Ca 0.11 -0.08 0.11 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 -1.47 0.00 -4.15 2.61 -2.24 -1.26 -4.88 114.28 102.88 2wn2 n THR 41 Ca 0.06 -0.16 -0.26 0.00 -2.27 0.00 0.00 64.05 61.42 2wn2 n THR 41 Cb 0.26 1.00 -0.17 0.00 -2.10 0.00 0.00 70.33 69.32 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 -2.65 2.11 0.46 3.42 3.84 -1.16 -5.02 114.94 115.94 2wn2 s ASN 42 Ca 0.16 -0.32 0.29 0.00 0.21 0.00 0.00 52.86 53.19 2wn2 s ASN 42 Cb 0.18 -0.88 0.98 0.00 -0.55 0.00 0.00 41.25 40.97 2wn2 s ASN 42 CO 0.65 -0.06 1.83 0.71 -2.79 0.00 0.00 177.10 177.44 2wn2 h THR 43 N 6.09 0.00 0.00 -5.21 1.35 -1.90 -3.36 112.91 109.88 2wn2 h THR 43 Ca -0.31 -0.62 -0.03 0.00 -0.55 0.00 0.00 66.41 64.90 2wn2 h THR 43 Cb 1.15 1.59 -0.00 0.00 -1.73 0.00 0.00 68.15 69.16 2wn2 h THR 43 CO 0.44 0.00 -0.12 0.16 -0.25 0.00 0.00 175.52 175.75 2wn2 h ILE 44 N 0.00 0.29 -0.01 6.82 3.07 -1.95 -2.54 117.51 123.18 2wn2 h ILE 44 Ca 0.00 -0.90 0.00 0.00 1.55 0.00 0.00 64.86 65.51 2wn2 h ILE 44 Cb 0.66 1.71 0.00 0.00 -0.27 0.00 0.00 36.82 38.92 2wn2 h ILE 44 CO 0.00 0.12 0.00 -0.90 -1.05 0.00 0.00 178.15 176.32 2wn2 n ASP 45 N -3.24 0.53 0.00 2.16 5.75 -1.26 -4.91 116.55 115.59 2wn2 n ASP 45 Ca 0.01 -1.22 0.00 0.00 -0.01 0.00 0.00 54.79 53.57 2wn2 n ASP 45 Cb 0.40 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 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 1.04 -0.29 3.86 6.12 0.00 -0.96 -4.86 105.19 110.10 2wn2 n GLY 46 Ca 0.21 -1.21 -0.33 0.00 0.00 0.00 0.00 46.02 44.68 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 6.70 -1.39 1.61 1.04 -0.91 -4.98 113.70 111.78 2wn2 s SER 47 Ca 0.00 0.96 -0.08 0.00 0.48 0.00 0.00 55.95 57.31 2wn2 s SER 47 Cb 0.00 -2.24 0.08 0.00 0.10 0.00 0.00 66.02 63.96 2wn2 s SER 47 CO 0.00 0.02 2.34 -0.62 0.98 0.00 0.00 173.24 175.96 2wn2 n GLU 48 N 0.33 3.96 0.00 4.02 1.02 -1.26 -4.79 120.64 123.92 2wn2 n GLU 48 Ca -0.03 -3.13 0.00 0.00 -0.02 0.00 0.00 57.16 53.98 2wn2 n GLU 48 Cb 0.52 -2.82 0.00 0.00 -0.02 0.00 0.00 31.44 29.12 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 3.17 0.00 -2.42 0.62 0.00 -1.11 -1.57 120.51 119.20 2wn2 n ALA 49 Ca 0.58 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.60 2wn2 n ALA 49 Cb 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.71 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 3.36 -0.04 0.00 -0.00 -0.37 -4.49 118.94 115.40 2wn2 s TRP 50 Ca 0.00 1.26 0.02 0.00 -0.00 0.00 0.00 56.10 57.39 2wn2 s TRP 50 Cb 0.00 -3.43 0.01 0.00 -0.00 0.00 0.00 33.47 30.05 2wn2 s TRP 50 CO 0.00 -1.33 -0.09 0.00 -0.00 0.00 0.00 176.95 175.53 2wn2 s SER 52 N 0.50 4.18 -0.15 0.00 1.04 -0.80 -0.65 113.70 117.81 2wn2 s SER 52 Ca -0.09 1.48 0.08 0.00 0.48 0.00 0.00 55.95 57.91 2wn2 s SER 52 Cb -0.12 -2.20 -0.23 0.00 0.10 0.00 0.00 66.02 63.57 2wn2 s SER 52 CO 0.01 -2.19 0.23 -0.24 0.98 0.00 0.00 173.24 172.04 2wn2 n SER 53 N -3.59 1.08 -4.78 7.02 2.88 -1.26 -3.52 113.62 111.45 2wn2 n SER 53 Ca 0.07 0.13 -0.36 0.00 -1.33 0.00 0.00 58.87 57.39 2wn2 n SER 53 Cb 0.55 0.04 -0.07 0.00 -0.75 0.00 0.00 64.21 63.98 2wn2 n SER 53 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2wn2 s ILE 54 N -2.54 5.32 -0.49 2.46 1.01 -1.26 -4.93 121.20 120.77 2wn2 s ILE 54 Ca -0.16 0.15 -0.05 0.00 0.00 0.00 0.00 60.65 60.58 2wn2 s ILE 54 Cb 0.07 -3.37 0.13 0.00 0.01 0.00 0.00 42.46 39.30 2wn2 s ILE 54 CO 0.77 0.53 0.32 -0.69 0.00 0.00 0.00 174.94 175.87 2wn2 s VAL 55 N -0.30 3.77 0.19 2.92 1.01 -1.26 -4.90 120.40 121.83 2wn2 s VAL 55 Ca 0.11 -2.15 -0.07 0.00 0.00 0.00 0.00 61.98 59.87 2wn2 s VAL 55 Cb -0.12 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.78 2wn2 s VAL 55 CO 0.01 -0.77 0.37 -0.90 0.00 0.00 0.00 175.10 173.81 2wn2 n ASP 56 N 4.47 -1.08 -1.24 3.32 5.68 -1.26 -5.04 116.55 121.40 2wn2 n ASP 56 Ca -0.02 -1.80 0.05 0.00 -0.50 0.00 0.00 54.79 52.52 2wn2 n ASP 56 Cb 0.41 1.82 0.23 0.00 -1.14 0.00 0.00 41.12 42.44 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 -0.27 1.45 -0.38 2.12 -2.24 -1.26 -4.10 114.28 109.60 2wn2 n THR 57 Ca -0.04 -0.79 0.07 0.00 -2.27 0.00 0.00 64.05 61.02 2wn2 n THR 57 Cb 0.29 -0.23 0.21 0.00 -2.10 0.00 0.00 70.33 68.50 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 0.46 3.37 -4.95 3.42 3.02 -1.26 -4.90 115.26 114.42 2wn2 n ASN 58 Ca 0.16 -2.22 -0.24 0.00 -0.03 0.00 0.00 54.58 52.26 2wn2 n ASN 58 Cb 0.73 -0.34 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 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 -1.40 3.23 -0.05 3.52 -1.52 -1.26 -4.99 119.66 117.19 2wn2 s GLN 59 Ca 0.32 -0.39 -0.30 0.00 -1.95 0.00 0.00 55.36 53.04 2wn2 s GLN 59 Cb 0.19 -2.58 0.11 0.00 -0.22 0.00 0.00 33.01 30.51 2wn2 s GLN 59 CO 0.17 -0.13 0.93 1.52 -0.25 0.00 0.00 175.29 177.53 2wn2 s TYR 60 N -2.49 -0.34 -0.08 0.91 -0.85 -1.26 -3.82 117.35 109.42 2wn2 s TYR 60 Ca 0.46 0.31 0.04 0.00 -0.52 0.00 0.00 57.07 57.35 2wn2 s TYR 60 Cb -0.10 0.52 0.00 0.00 0.38 0.00 0.00 41.96 42.76 2wn2 s TYR 60 CO 0.38 -0.48 -0.20 -1.50 -1.52 0.00 0.00 175.55 172.22 2wn2 s ILE 61 N -2.63 1.74 -0.14 -3.49 2.07 -0.69 -1.51 121.20 116.55 2wn2 s ILE 61 Ca 0.04 -0.85 -0.02 0.00 -1.41 0.00 0.00 60.65 58.41 2wn2 s ILE 61 Cb -0.01 -1.52 -0.02 0.00 0.13 0.00 0.00 42.46 41.04 2wn2 s ILE 61 CO -0.06 0.49 -0.08 -0.69 -1.91 0.00 0.00 174.94 172.69 2wn2 s VAL 62 N 0.32 3.54 -0.23 4.00 1.01 0.65 -1.42 120.40 128.27 2wn2 s VAL 62 Ca -0.14 -0.49 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 2wn2 s VAL 62 Cb -0.16 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 2wn2 s VAL 62 CO 0.06 0.51 0.05 0.00 0.00 0.00 0.00 175.10 175.72 2wn2 s ALA 63 N 0.26 3.12 -0.12 5.51 0.00 0.36 -1.48 121.76 129.40 2wn2 s ALA 63 Ca -0.06 -1.09 0.03 0.00 0.00 0.00 0.00 51.96 50.84 2wn2 s ALA 63 Cb -0.15 -1.98 -0.00 0.00 0.00 0.00 0.00 23.12 20.99 2wn2 s ALA 63 CO 0.04 -0.38 -0.21 0.20 0.00 0.00 0.00 175.76 175.41 2wn2 s GLY 64 N 1.42 1.39 -0.10 0.00 0.00 -0.04 -1.39 107.32 108.60 2wn2 s GLY 64 Ca 0.05 -0.99 0.02 0.00 0.00 0.00 0.00 44.72 43.80 2wn2 s GLY 64 CO 0.03 -0.20 -0.15 0.00 0.00 0.00 0.00 173.10 172.78 2wn2 h GLU 66 N 6.22 0.00 -5.20 0.00 5.08 -1.88 -3.40 114.58 115.40 2wn2 h GLU 66 Ca -0.32 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.43 2wn2 h GLU 66 Cb 1.19 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.31 2wn2 h GLU 66 CO 0.53 0.47 -0.50 0.08 -1.00 0.00 0.00 179.01 178.59 2wn2 s VAL 67 N -3.54 5.39 0.46 3.13 1.01 -1.26 -5.04 120.40 120.55 2wn2 s VAL 67 Ca 0.00 0.19 -0.25 0.00 0.00 0.00 0.00 61.98 61.92 2wn2 s VAL 67 Cb 0.11 -3.48 -0.08 0.00 0.00 0.00 0.00 36.38 32.93 2wn2 s VAL 67 CO 0.71 0.41 1.41 -2.84 0.00 0.00 0.00 175.10 174.79 2wn2 s PRO 68 N 0.62 3.64 0.15 2.72 0.02 -1.26 -4.83 135.00 136.06 2wn2 s PRO 68 Ca 0.08 2.39 0.07 0.00 0.02 0.00 0.00 61.00 63.56 2wn2 s PRO 68 Cb -0.12 -2.62 -0.04 0.00 0.02 0.00 0.00 34.50 31.74 2wn2 s PRO 68 CO 0.00 -0.84 -0.16 1.03 -0.33 0.00 0.00 177.00 176.70 2wn2 s ARG 69 N -2.49 1.17 -0.47 5.54 1.81 -0.25 -4.97 118.95 119.29 2wn2 s ARG 69 Ca 0.62 -1.35 -0.16 0.00 -1.72 0.00 0.00 55.73 53.12 2wn2 s ARG 69 Cb -0.43 -1.12 0.07 0.00 -0.45 0.00 0.00 34.95 33.02 2wn2 s ARG 69 CO 0.55 0.22 0.40 0.99 -0.68 0.00 0.00 175.30 176.78 2wn2 s THR 70 N -2.18 5.23 -0.33 0.02 2.01 -1.26 -1.68 115.64 117.44 2wn2 s THR 70 Ca 0.13 -1.05 -0.29 0.00 0.31 0.00 0.00 61.69 60.80 2wn2 s THR 70 Cb -0.05 -4.13 0.01 0.00 0.01 0.00 0.00 72.50 68.35 2wn2 s THR 70 CO 0.05 -0.58 1.13 -0.36 -0.69 0.00 0.00 174.62 174.17 2wn2 s PHE 71 N 1.67 3.01 -0.12 4.92 0.40 0.95 -1.84 117.98 126.96 2wn2 s PHE 71 Ca 0.04 1.08 -0.02 0.00 -0.60 0.00 0.00 56.93 57.43 2wn2 s PHE 71 Cb -0.24 -3.80 -0.25 0.00 0.51 0.00 0.00 43.02 39.24 2wn2 s PHE 71 CO 0.07 -1.04 0.36 -1.33 0.70 0.00 0.00 175.22 173.98 2wn2 n MET 72 N 7.05 0.73 -3.65 0.44 2.81 -0.22 -1.32 117.12 122.96 2wn2 n MET 72 Ca 0.13 0.25 -0.15 0.00 -1.81 0.00 0.00 57.70 56.12 2wn2 n MET 72 Cb 0.47 -1.70 -0.08 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 -0.49 2.54 -0.14 0.00 0.11 -0.37 -0.98 120.40 121.06 2wn2 s VAL 74 Ca -0.06 -0.88 -0.02 0.00 -2.93 0.00 0.00 61.98 58.09 2wn2 s VAL 74 Cb -0.03 -1.99 -0.02 0.00 -1.53 0.00 0.00 36.38 32.81 2wn2 s VAL 74 CO 0.04 0.56 -0.08 0.00 -3.33 0.00 0.00 175.10 172.30 2wn2 s ALA 75 N -0.05 2.85 0.11 1.54 0.00 0.63 -0.31 121.76 126.52 2wn2 s ALA 75 Ca -0.05 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.12 2wn2 s ALA 75 Cb -0.14 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.53 2wn2 s ALA 75 CO 0.04 0.24 -0.03 -1.17 0.00 0.00 0.00 175.76 174.85 2wn2 s LEU 76 N 0.32 3.32 -0.06 0.00 2.96 -0.70 -1.55 118.68 122.97 2wn2 s LEU 76 Ca -0.06 -0.28 -0.18 0.00 -0.22 0.00 0.00 54.13 53.39 2wn2 s LEU 76 Cb -0.15 -2.05 0.04 0.00 0.50 0.00 0.00 46.19 44.53 2wn2 s LEU 76 CO 0.04 0.16 0.41 -1.58 -1.32 0.00 0.00 176.35 174.06 2wn2 s GLN 77 N -2.41 0.71 0.14 1.98 0.74 -0.44 -1.34 119.66 119.04 2wn2 s GLN 77 Ca 0.25 0.08 -0.02 0.00 0.05 0.00 0.00 55.36 55.72 2wn2 s GLN 77 Cb -0.11 0.32 0.03 0.00 1.10 0.00 0.00 33.01 34.36 2wn2 s GLN 77 CO 0.17 -0.18 0.19 0.41 -0.55 0.00 0.00 175.29 175.33 2wn2 n GLY 78 N 1.58 -1.32 3.72 2.59 0.00 -0.82 -1.38 105.19 109.56 2wn2 n GLY 78 Ca -0.19 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 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 -3.41 4.65 0.30 1.61 3.52 -0.31 -4.05 118.95 121.25 2wn2 s ARG 79 Ca 0.11 1.45 0.14 0.00 -0.13 0.00 0.00 55.73 57.30 2wn2 s ARG 79 Cb -0.00 -3.40 0.38 0.00 -1.56 0.00 0.00 34.95 30.37 2wn2 s ARG 79 CO 0.08 0.12 1.60 0.78 -0.81 0.00 0.00 175.30 177.06 2wn2 h GLY 80 N 5.97 0.00 -0.49 8.12 0.00 -1.49 -3.33 103.07 111.85 2wn2 h GLY 80 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2wn2 h GLY 80 CO 0.73 0.00 -0.02 2.09 0.00 0.00 0.00 176.54 179.34 2wn2 n ASP 81 N -3.55 1.46 -3.77 0.19 5.75 -1.26 -4.97 116.55 110.40 2wn2 n ASP 81 Ca -0.00 -1.23 -0.10 0.00 -0.01 0.00 0.00 54.79 53.45 2wn2 n ASP 81 Cb 0.63 0.07 -0.06 0.00 -1.03 0.00 0.00 41.12 40.73 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 -0.62 -0.55 -1.46 2.12 0.00 -1.25 -5.04 121.76 114.97 2wn2 s ALA 82 Ca 0.07 -0.39 -0.14 0.00 0.00 0.00 0.00 51.96 51.51 2wn2 s ALA 82 Cb 0.05 0.67 0.04 0.00 0.00 0.00 0.00 23.12 23.88 2wn2 s ALA 82 CO 0.09 -0.62 2.24 -0.25 0.00 0.00 0.00 175.76 177.22 2wn2 n ASP 83 N -0.18 4.14 -3.98 0.00 8.00 -1.26 -4.48 116.55 118.78 2wn2 n ASP 83 Ca -0.14 -2.85 -0.19 0.00 0.71 0.00 0.00 54.79 52.33 2wn2 n ASP 83 Cb 0.63 -1.64 -0.15 0.00 -0.02 0.00 0.00 41.12 39.93 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 2.98 0.76 -0.04 -1.24 -0.21 -1.26 -4.47 119.66 116.18 2wn2 s GLN 84 Ca 0.47 -0.25 -0.30 0.00 0.02 0.00 0.00 55.36 55.30 2wn2 s GLN 84 Cb 0.14 -0.73 0.11 0.00 1.00 0.00 0.00 33.01 33.53 2wn2 s GLN 84 CO -0.08 0.10 0.98 1.67 -2.12 0.00 0.00 175.29 175.84 2wn2 s TRP 85 N 0.13 -0.27 -0.26 0.91 -2.14 -0.75 -1.17 118.94 115.39 2wn2 s TRP 85 Ca -0.02 0.15 -0.08 0.00 2.66 0.00 0.00 56.10 58.81 2wn2 s TRP 85 Cb -0.07 0.54 -0.03 0.00 -3.10 0.00 0.00 33.47 30.81 2wn2 s TRP 85 CO 0.00 -0.48 0.10 0.08 -2.66 0.00 0.00 176.95 174.00 2wn2 s VAL 86 N -2.95 4.59 -0.11 -0.66 1.01 -1.25 -0.18 120.40 120.84 2wn2 s VAL 86 Ca 0.07 -0.08 0.16 0.00 0.00 0.00 0.00 61.98 62.13 2wn2 s VAL 86 Cb -0.01 -3.16 -0.16 0.00 0.00 0.00 0.00 36.38 33.05 2wn2 s VAL 86 CO -0.07 0.31 0.76 0.35 0.00 0.00 0.00 175.10 176.45 2wn2 n THR 87 N 4.96 1.24 -3.73 3.92 -2.24 -0.01 -1.30 114.28 117.12 2wn2 n THR 87 Ca -0.16 -0.71 -0.10 0.00 -2.27 0.00 0.00 64.05 60.82 2wn2 n THR 87 Cb 0.52 -0.76 -0.05 0.00 -2.10 0.00 0.00 70.33 67.93 2wn2 n THR 87 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2wn2 s SER 88 N -5.79 -0.11 0.15 3.42 1.04 -1.07 -0.04 113.70 111.30 2wn2 s SER 88 Ca -0.04 -0.47 -0.21 0.00 0.48 0.00 0.00 55.95 55.72 2wn2 s SER 88 Cb 0.09 0.44 0.06 0.00 0.10 0.00 0.00 66.02 66.70 2wn2 s SER 88 CO 0.82 -0.83 0.55 -0.72 0.98 0.00 0.00 173.24 174.03 2wn2 s TYR 89 N -3.84 -0.43 0.23 5.02 1.13 -0.67 -0.76 117.35 118.03 2wn2 s TYR 89 Ca 0.05 0.18 0.07 0.00 -1.41 0.00 0.00 57.07 55.96 2wn2 s TYR 89 Cb 0.03 0.48 -0.04 0.00 -1.10 0.00 0.00 41.96 41.32 2wn2 s TYR 89 CO -0.10 -0.82 0.09 -1.59 -2.51 0.00 0.00 175.55 170.62 2wn2 s LYS 90 N -3.77 2.64 -0.14 -3.49 -2.85 -0.40 0.44 119.74 112.18 2wn2 s LYS 90 Ca 0.02 -1.14 -0.01 0.00 -1.00 0.00 0.00 55.97 53.85 2wn2 s LYS 90 Cb -0.00 -2.42 -0.01 0.00 -2.06 0.00 0.00 37.83 33.33 2wn2 s LYS 90 CO -0.12 0.41 -0.12 0.42 0.10 0.00 0.00 175.35 176.04 2wn2 s ILE 91 N -2.04 3.11 0.18 3.79 -1.09 -1.26 -0.96 121.20 122.93 2wn2 s ILE 91 Ca 0.31 -0.64 0.10 0.00 -2.23 0.00 0.00 60.65 58.20 2wn2 s ILE 91 Cb -0.08 -2.32 -0.04 0.00 -1.58 0.00 0.00 42.46 38.44 2wn2 s ILE 91 CO 0.22 0.52 -0.21 -0.13 -1.23 0.00 0.00 174.94 174.10 2wn2 s ARG 92 N 0.41 1.42 0.14 2.79 0.52 -0.83 -1.13 118.95 122.27 2wn2 s ARG 92 Ca -0.10 -1.48 -0.17 0.00 -0.52 0.00 0.00 55.73 53.47 2wn2 s ARG 92 Cb -0.16 -1.62 0.04 0.00 0.52 0.00 0.00 34.95 33.73 2wn2 s ARG 92 CO 0.05 0.34 0.44 1.52 0.02 0.00 0.00 175.30 177.67 2wn2 s TYR 93 N -1.83 -0.24 -0.05 -0.53 -0.85 -0.12 -0.54 117.35 113.18 2wn2 s TYR 93 Ca 0.19 -0.06 -0.04 0.00 -0.52 0.00 0.00 57.07 56.64 2wn2 s TYR 93 Cb -0.07 0.31 0.02 0.00 0.38 0.00 0.00 41.96 42.60 2wn2 s TYR 93 CO 0.09 -0.74 0.14 0.45 -1.52 0.00 0.00 175.55 173.96 2wn2 s SER 94 N -2.80 -0.13 -0.21 -0.18 0.15 -0.09 -0.73 113.70 109.71 2wn2 s SER 94 Ca 0.03 0.28 -0.18 0.00 0.70 0.00 0.00 55.95 56.78 2wn2 s SER 94 Cb 0.01 0.24 -0.19 0.00 -1.71 0.00 0.00 66.02 64.37 2wn2 s SER 94 CO -0.11 -0.08 0.15 -0.11 1.20 0.00 0.00 173.24 174.29 2wn2 n LEU 95 N 3.42 2.01 -0.25 3.45 7.94 -1.26 -0.55 117.00 131.76 2wn2 n LEU 95 Ca -0.17 0.37 0.13 0.00 -1.11 0.00 0.00 56.01 55.23 2wn2 n LEU 95 Cb 0.57 -0.97 0.41 0.00 0.53 0.00 0.00 43.42 43.95 2wn2 n LEU 95 CO 0.20 0.41 0.69 -0.90 -1.11 0.00 0.00 177.39 176.68 2wn2 n ASP 96 N -4.25 1.00 -1.30 1.96 5.75 -1.26 -4.04 116.55 114.41 2wn2 n ASP 96 Ca -0.35 -0.89 -0.15 0.00 -0.01 0.00 0.00 54.79 53.38 2wn2 n ASP 96 Cb 0.77 0.11 -0.05 0.00 -1.03 0.00 0.00 41.12 40.91 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 -0.63 -4.80 0.02 -1.12 5.03 -1.26 -4.81 115.26 107.70 2wn2 n ASN 97 Ca 0.13 0.29 -0.01 0.00 0.87 0.00 0.00 54.58 55.87 2wn2 n ASN 97 Cb 0.34 -3.71 -0.00 0.00 -1.02 0.00 0.00 39.78 35.39 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 -2.87 0.66 -4.14 2.41 0.31 -1.26 -5.04 118.33 108.41 2wn2 n VAL 98 Ca -0.16 0.20 -0.35 0.00 -0.01 0.00 0.00 64.34 64.02 2wn2 n VAL 98 Cb 0.53 -1.56 -0.10 0.00 -0.91 0.00 0.00 33.84 31.80 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 -5.55 5.48 0.07 4.52 0.01 -1.26 -5.11 113.70 111.87 2wn2 s SER 99 Ca -0.01 0.10 0.03 0.00 1.31 0.00 0.00 55.95 57.38 2wn2 s SER 99 Cb 0.00 -1.84 -0.04 0.00 0.21 0.00 0.00 66.02 64.35 2wn2 s SER 99 CO 0.01 0.24 0.05 0.26 0.41 0.00 0.00 173.24 174.21 2wn2 s TRP 100 N -0.04 3.12 0.24 2.43 0.52 -1.26 -4.37 118.94 119.58 2wn2 s TRP 100 Ca 0.05 0.05 0.05 0.00 0.02 0.00 0.00 56.10 56.28 2wn2 s TRP 100 Cb -0.12 -1.60 -0.05 0.00 -1.15 0.00 0.00 33.47 30.54 2wn2 s TRP 100 CO 0.01 0.50 -0.06 -0.06 0.02 0.00 0.00 176.95 177.37 2wn2 s PHE 101 N -1.33 1.70 -0.10 -1.98 0.40 0.09 -4.98 117.98 111.78 2wn2 s PHE 101 Ca 0.27 -0.77 0.04 0.00 -0.60 0.00 0.00 56.93 55.88 2wn2 s PHE 101 Cb -0.12 -0.94 -0.00 0.00 0.51 0.00 0.00 43.02 42.47 2wn2 s PHE 101 CO 0.19 0.16 -0.24 -1.21 0.70 0.00 0.00 175.22 174.82 2wn2 s GLU 102 N -3.76 2.99 0.26 0.44 2.02 -1.26 -0.94 118.70 118.44 2wn2 s GLU 102 Ca 0.27 -0.88 -0.30 0.00 0.02 0.00 0.00 54.97 54.07 2wn2 s GLU 102 Cb 0.04 -2.29 -0.11 0.00 0.10 0.00 0.00 34.13 31.86 2wn2 s GLU 102 CO 0.09 0.21 1.60 -0.47 0.02 0.00 0.00 175.26 176.70 2wn2 s TYR 103 N 0.27 2.83 -1.46 1.61 6.04 -0.29 -2.57 117.35 123.79 2wn2 s TYR 103 Ca -0.17 0.71 -0.03 0.00 0.04 0.00 0.00 57.07 57.62 2wn2 s TYR 103 Cb -0.17 -4.05 0.01 0.00 -1.04 0.00 0.00 41.96 36.71 2wn2 s TYR 103 CO 0.08 -3.62 0.29 0.54 -1.54 0.00 0.00 175.55 171.31 2wn2 n ARG 104 N 2.66 -3.21 -2.16 4.97 1.74 -1.26 -0.72 116.66 118.68 2wn2 n ARG 104 Ca 0.10 0.79 -0.15 0.00 -0.77 0.00 0.00 57.85 57.82 2wn2 n ARG 104 Cb 0.37 -5.52 -0.02 0.00 -1.02 0.00 0.00 32.46 26.27 2wn2 n ARG 104 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2wn2 n ASN 105 N -2.19 -4.47 0.00 0.55 5.15 -1.06 -1.80 115.26 111.43 2wn2 n ASN 105 Ca -0.14 0.19 0.00 0.00 -0.60 0.00 0.00 54.58 54.03 2wn2 n ASN 105 Cb 0.62 -3.85 0.00 0.00 -0.53 0.00 0.00 39.78 36.02 2wn2 n ASN 105 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wn2 n GLY 106 N -0.72 0.74 3.72 8.20 0.00 0.10 -4.99 105.19 112.25 2wn2 n GLY 106 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.41 2.14 0.44 4.61 0.00 -0.74 -4.80 121.76 121.01 2wn2 s ALA 107 Ca 0.00 0.94 -0.24 0.00 0.00 0.00 0.00 51.96 52.66 2wn2 s ALA 107 Cb 0.00 -3.49 -0.08 0.00 0.00 0.00 0.00 23.12 19.56 2wn2 s ALA 107 CO 0.00 -1.86 1.22 0.00 0.00 0.00 0.00 175.76 175.12 2wn2 s ALA 108 N -1.88 3.07 0.05 0.00 0.00 -1.26 -4.58 121.76 117.16 2wn2 s ALA 108 Ca 0.76 1.06 0.05 0.00 0.00 0.00 0.00 51.96 53.84 2wn2 s ALA 108 Cb -0.31 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 2wn2 s ALA 108 CO 0.44 -0.76 -0.10 0.08 0.00 0.00 0.00 175.76 175.43 2wn2 s VAL 109 N -1.41 3.41 -0.05 0.00 1.01 0.17 -4.92 120.40 118.61 2wn2 s VAL 109 Ca 0.61 -1.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 2wn2 s VAL 109 Cb -0.33 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 2wn2 s VAL 109 CO 0.41 0.27 1.38 -0.89 0.00 0.00 0.00 175.10 176.27 2wn2 s THR 110 N -1.08 3.90 0.00 3.92 2.01 -1.26 -1.67 115.64 121.46 2wn2 s THR 110 Ca 0.19 1.20 0.00 0.00 0.31 0.00 0.00 61.69 63.39 2wn2 s THR 110 Cb -0.11 -3.77 0.00 0.00 0.01 0.00 0.00 72.50 68.63 2wn2 s THR 110 CO 0.10 -0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.60 2wn2 n GLY 111 N 3.68 1.50 3.88 4.40 0.00 0.94 -4.92 105.19 114.66 2wn2 n GLY 111 Ca 0.14 -1.61 -0.23 0.00 0.00 0.00 0.00 46.02 44.32 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 2.78 2.30 0.00 1.61 -7.23 -0.42 -4.85 120.40 114.59 2wn2 s VAL 112 Ca 0.00 -1.41 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 2wn2 s VAL 112 Cb 0.00 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 34.23 2wn2 s VAL 112 CO 0.00 0.00 0.58 0.35 -0.31 0.00 0.00 175.10 175.72 2wn2 n THR 113 N -1.61 0.31 -3.56 5.32 -2.24 -1.26 -4.18 114.28 107.06 2wn2 n THR 113 Ca 0.02 -0.37 -0.05 0.00 -2.27 0.00 0.00 64.05 61.38 2wn2 n THR 113 Cb 0.63 1.00 0.02 0.00 -2.10 0.00 0.00 70.33 69.88 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 -0.16 -1.42 -0.06 3.42 5.68 -1.26 -5.08 116.55 117.67 2wn2 n ASP 114 Ca 0.00 -1.94 -0.13 0.00 -0.50 0.00 0.00 54.79 52.21 2wn2 n ASP 114 Cb 0.32 2.36 -0.06 0.00 -1.14 0.00 0.00 41.12 42.60 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 0.44 0.00 0.11 3.08 -1.88 -3.31 114.38 112.82 2wn2 h ARG 115 Ca -0.21 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.61 2wn2 h ARG 115 Cb 0.80 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.86 2wn2 h ARG 115 CO 0.27 0.80 -0.81 0.09 -1.07 0.00 0.00 179.97 179.25 2wn2 n ASN 116 N -4.48 3.11 -4.61 7.04 3.02 -1.26 -1.94 115.26 116.13 2wn2 n ASN 116 Ca -0.06 -0.17 -0.43 0.00 -0.03 0.00 0.00 54.58 53.89 2wn2 n ASN 116 Cb 0.39 1.08 -0.02 0.00 -0.61 0.00 0.00 39.78 40.62 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 -1.89 4.26 0.24 3.41 2.01 -1.26 -4.88 115.64 117.54 2wn2 s THR 117 Ca -0.00 1.33 -0.30 0.00 0.31 0.00 0.00 61.69 63.03 2wn2 s THR 117 Cb 0.02 -4.54 -0.10 0.00 0.01 0.00 0.00 72.50 67.89 2wn2 s THR 117 CO 0.10 -0.87 1.37 -0.69 -0.69 0.00 0.00 174.62 173.84 2wn2 s VAL 118 N 4.31 2.90 -0.28 3.82 1.01 -1.26 -4.73 120.40 126.16 2wn2 s VAL 118 Ca 0.48 0.76 -0.01 0.00 0.00 0.00 0.00 61.98 63.21 2wn2 s VAL 118 Cb -0.09 -3.49 0.04 0.00 0.00 0.00 0.00 36.38 32.85 2wn2 s VAL 118 CO 0.28 0.13 -0.03 -0.69 0.00 0.00 0.00 175.10 174.79 2wn2 s VAL 119 N -0.11 2.88 0.06 2.92 1.01 -0.45 -4.98 120.40 121.72 2wn2 s VAL 119 Ca 0.57 -1.31 -0.26 0.00 0.00 0.00 0.00 61.98 60.98 2wn2 s VAL 119 Cb -0.39 -2.60 -0.06 0.00 0.00 0.00 0.00 36.38 33.33 2wn2 s VAL 119 CO 0.42 -0.01 0.81 0.20 0.00 0.00 0.00 175.10 176.52 2wn2 s ASN 120 N 1.26 7.27 -0.26 3.32 0.01 -1.26 -1.72 114.94 123.56 2wn2 s ASN 120 Ca -0.04 1.52 -0.00 0.00 -0.71 0.00 0.00 52.86 53.63 2wn2 s ASN 120 Cb -0.19 -2.49 0.04 0.00 0.41 0.00 0.00 41.25 39.02 2wn2 s ASN 120 CO -0.02 0.00 -0.08 -2.28 -1.51 0.00 0.00 177.10 173.21 2wn2 s HIS 121 N -0.06 3.14 -0.18 2.20 5.65 0.57 -4.99 115.29 121.61 2wn2 s HIS 121 Ca 0.40 -1.85 -0.24 0.00 0.25 0.00 0.00 55.06 53.62 2wn2 s HIS 121 Cb -0.21 -2.02 -0.02 0.00 -1.18 0.00 0.00 32.58 29.15 2wn2 s HIS 121 CO 0.24 -0.80 0.76 -0.06 -0.65 0.00 0.00 174.74 174.23 2wn2 s PHE 122 N 1.24 3.40 0.33 3.88 0.40 -1.26 -1.24 117.98 124.73 2wn2 s PHE 122 Ca -0.03 1.13 -0.29 0.00 -0.60 0.00 0.00 56.93 57.14 2wn2 s PHE 122 Cb -0.18 -2.93 -0.11 0.00 0.51 0.00 0.00 43.02 40.31 2wn2 s PHE 122 CO -0.05 -0.22 1.45 -0.06 0.70 0.00 0.00 175.22 177.04 2wn2 s PHE 123 N 2.08 2.80 0.25 0.36 0.40 -0.67 -4.89 117.98 118.31 2wn2 s PHE 123 Ca 0.35 1.15 -0.11 0.00 -0.60 0.00 0.00 56.93 57.72 2wn2 s PHE 123 Cb -0.16 -3.91 0.35 0.00 0.51 0.00 0.00 43.02 39.81 2wn2 s PHE 123 CO 0.11 -2.73 1.59 -0.44 0.70 0.00 0.00 175.22 174.45 2wn2 h ASP 124 N 3.70 -0.83 -3.98 1.36 3.32 -1.95 -3.35 116.42 114.70 2wn2 h ASP 124 Ca -0.49 0.26 -0.60 0.00 0.02 0.00 0.00 57.03 56.22 2wn2 h ASP 124 Cb 1.23 0.54 -0.31 0.00 0.22 0.00 0.00 39.33 41.00 2wn2 h ASP 124 CO 0.69 -0.28 -0.85 -0.89 -1.72 0.00 0.00 179.24 176.19 2wn2 s THR 125 N -6.23 1.62 0.38 0.35 2.01 -1.26 -5.12 115.64 107.39 2wn2 s THR 125 Ca -0.15 -0.83 -0.25 0.00 0.31 0.00 0.00 61.69 60.78 2wn2 s THR 125 Cb 0.23 -1.38 -0.12 0.00 0.01 0.00 0.00 72.50 71.25 2wn2 s THR 125 CO 0.76 0.46 0.88 -2.65 -0.69 0.00 0.00 174.62 173.37 2wn2 n PRO 126 N 3.04 1.11 -3.69 4.92 -0.02 -1.26 -4.94 135.00 134.16 2wn2 n PRO 126 Ca -0.18 0.40 -0.36 0.00 -2.02 0.00 0.00 63.50 61.33 2wn2 n PRO 126 Cb 0.53 -1.83 -0.10 0.00 -0.02 0.00 0.00 33.50 32.08 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 -1.26 5.24 -0.40 4.25 1.01 -0.44 -4.88 121.20 124.73 2wn2 s ILE 127 Ca 0.62 0.14 -0.23 0.00 0.00 0.00 0.00 60.65 61.18 2wn2 s ILE 127 Cb -0.62 -3.44 0.01 0.00 0.01 0.00 0.00 42.46 38.43 2wn2 s ILE 127 CO 0.58 0.34 0.75 -0.60 0.00 0.00 0.00 174.94 176.01 2wn2 s ARG 128 N 1.11 3.60 0.16 2.79 6.06 -1.26 -0.04 118.95 131.37 2wn2 s ARG 128 Ca 0.07 0.09 -0.19 0.00 -2.50 0.00 0.00 55.73 53.20 2wn2 s ARG 128 Cb -0.14 -3.86 0.04 0.00 0.06 0.00 0.00 34.95 31.05 2wn2 s ARG 128 CO 0.05 -0.93 0.51 0.00 -2.50 0.00 0.00 175.30 172.42 2wn2 s ALA 129 N 3.08 -1.13 -0.24 6.12 0.00 -0.68 -4.48 121.76 124.43 2wn2 s ALA 129 Ca 0.29 0.04 -0.18 0.00 0.00 0.00 0.00 51.96 52.11 2wn2 s ALA 129 Cb -0.13 0.81 -0.15 0.00 0.00 0.00 0.00 23.12 23.64 2wn2 s ALA 129 CO 0.19 -0.74 -0.08 0.54 0.00 0.00 0.00 175.76 175.67 2wn2 n ARG 130 N -0.31 0.58 -4.38 0.00 1.74 0.29 -1.08 116.66 113.49 2wn2 n ARG 130 Ca -0.14 0.42 -0.29 0.00 -0.77 0.00 0.00 57.85 57.07 2wn2 n ARG 130 Cb 0.64 -1.62 -0.12 0.00 -1.02 0.00 0.00 32.46 30.33 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 -7.18 3.46 -0.04 0.55 0.01 -0.63 -0.46 113.70 109.41 2wn2 s SER 131 Ca -0.34 -0.73 -0.11 0.00 1.31 0.00 0.00 55.95 56.08 2wn2 s SER 131 Cb 0.10 -0.29 0.02 0.00 0.21 0.00 0.00 66.02 66.06 2wn2 s SER 131 CO 0.54 0.17 0.26 -0.51 0.41 0.00 0.00 173.24 174.11 2wn2 s ILE 132 N -1.17 0.04 -0.00 1.44 2.07 -0.49 -0.91 121.20 122.19 2wn2 s ILE 132 Ca 0.16 -0.34 0.01 0.00 -1.41 0.00 0.00 60.65 59.06 2wn2 s ILE 132 Cb -0.10 -0.49 0.00 0.00 0.13 0.00 0.00 42.46 42.00 2wn2 s ILE 132 CO 0.07 -0.19 -0.03 0.00 -1.91 0.00 0.00 174.94 172.89 2wn2 s ALA 133 N -0.79 0.25 -0.24 1.50 0.00 0.30 -0.49 121.76 122.29 2wn2 s ALA 133 Ca -0.09 -0.10 -0.12 0.00 0.00 0.00 0.00 51.96 51.65 2wn2 s ALA 133 Cb -0.05 -0.08 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 2wn2 s ALA 133 CO 0.02 0.05 0.25 0.42 0.00 0.00 0.00 175.76 176.50 2wn2 s ILE 134 N 0.02 5.29 -0.47 0.00 1.01 -0.51 -1.96 121.20 124.60 2wn2 s ILE 134 Ca 0.00 0.35 0.02 0.00 0.00 0.00 0.00 60.65 61.02 2wn2 s ILE 134 Cb -0.02 -3.58 0.12 0.00 0.01 0.00 0.00 42.46 38.99 2wn2 s ILE 134 CO -0.00 0.28 0.22 -1.00 0.00 0.00 0.00 174.94 174.44 2wn2 s HIS 135 N 1.36 3.47 0.25 3.97 3.76 -0.14 -1.70 115.29 126.26 2wn2 s HIS 135 Ca 0.11 -2.92 -0.31 0.00 -0.15 0.00 0.00 55.06 51.79 2wn2 s HIS 135 Cb -0.14 -2.99 -0.13 0.00 1.11 0.00 0.00 32.58 30.43 2wn2 s HIS 135 CO 0.07 -0.86 1.48 -2.30 -0.85 0.00 0.00 174.74 172.28 2wn2 n PRO 136 N 3.76 2.25 -0.05 8.40 -0.02 -1.25 -1.27 135.00 146.83 2wn2 n PRO 136 Ca 0.04 0.80 -0.07 0.00 -2.02 0.00 0.00 63.50 62.26 2wn2 n PRO 136 Cb 0.38 -2.51 -0.06 0.00 -0.02 0.00 0.00 33.50 31.29 2wn2 n PRO 136 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wn2 n LEU 137 N 2.23 2.05 -3.92 2.45 4.77 0.06 -4.69 117.00 119.95 2wn2 n LEU 137 Ca 0.11 -0.04 -0.10 0.00 -0.03 0.00 0.00 56.01 55.95 2wn2 n LEU 137 Cb 0.33 -0.21 -0.10 0.00 -2.33 0.00 0.00 43.42 41.11 2wn2 n LEU 137 CO 0.63 0.54 -0.25 0.42 -1.33 0.00 0.00 177.39 177.41 2wn2 s THR 138 N -2.23 0.10 0.13 -5.08 -4.23 -1.06 -4.88 115.64 98.40 2wn2 s THR 138 Ca -0.12 -0.81 -0.13 0.00 -1.18 0.00 0.00 61.69 59.45 2wn2 s THR 138 Cb 0.04 -0.40 0.02 0.00 1.34 0.00 0.00 72.50 73.50 2wn2 s THR 138 CO 0.30 -0.44 0.34 -1.66 -0.54 0.00 0.00 174.62 172.61 2wn2 s TRP 139 N -1.50 0.01 -0.31 3.99 -2.14 -1.26 -0.83 118.94 116.90 2wn2 s TRP 139 Ca -0.15 -0.37 -0.07 0.00 2.66 0.00 0.00 56.10 58.18 2wn2 s TRP 139 Cb -0.08 0.13 0.02 0.00 -3.10 0.00 0.00 33.47 30.44 2wn2 s TRP 139 CO 0.00 -0.69 0.09 1.21 -2.66 0.00 0.00 176.95 174.90 2wn2 s ASN 140 N -2.86 5.18 0.00 -2.66 2.47 0.74 -4.81 114.94 113.00 2wn2 s ASN 140 Ca 0.07 -0.82 0.00 0.00 0.42 0.00 0.00 52.86 52.52 2wn2 s ASN 140 Cb 0.03 -1.88 0.00 0.00 -1.45 0.00 0.00 41.25 37.95 2wn2 s ASN 140 CO -0.09 -0.23 0.00 0.61 -3.72 0.00 0.00 177.10 173.67 2wn2 n GLY 141 N 4.85 2.10 3.61 1.21 0.00 -1.26 -1.80 105.19 113.90 2wn2 n GLY 141 Ca -0.14 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.34 -0.81 1.61 2.46 -1.26 -5.04 115.29 111.91 2wn2 s HIS 142 Ca 0.00 0.06 -0.24 0.00 0.47 0.00 0.00 55.06 55.35 2wn2 s HIS 142 Cb 0.00 0.61 0.06 0.00 -0.13 0.00 0.00 32.58 33.12 2wn2 s HIS 142 CO 0.00 -0.90 1.21 0.42 -2.47 0.00 0.00 174.74 172.99 2wn2 s ILE 143 N -3.62 4.08 -0.06 0.89 1.01 -1.26 -3.63 121.20 118.62 2wn2 s ILE 143 Ca 0.06 -0.36 -0.02 0.00 0.00 0.00 0.00 60.65 60.33 2wn2 s ILE 143 Cb -0.02 -4.86 0.04 0.00 0.01 0.00 0.00 42.46 37.62 2wn2 s ILE 143 CO -0.04 -1.71 0.11 -0.44 0.00 0.00 0.00 174.94 172.86 2wn2 s SER 144 N 3.99 0.15 0.11 3.58 0.01 -1.26 -1.91 113.70 118.37 2wn2 s SER 144 Ca 0.33 0.23 -0.14 0.00 1.31 0.00 0.00 55.95 57.68 2wn2 s SER 144 Cb -0.08 0.12 0.03 0.00 0.21 0.00 0.00 66.02 66.29 2wn2 s SER 144 CO 0.04 -0.17 0.35 -1.48 0.41 0.00 0.00 173.24 172.40 2wn2 s LEU 145 N 1.39 0.65 0.16 2.44 0.05 -0.31 -3.80 118.68 119.26 2wn2 s LEU 145 Ca -0.06 -0.39 0.11 0.00 0.05 0.00 0.00 54.13 53.84 2wn2 s LEU 145 Cb -0.12 1.64 -0.04 0.00 -2.05 0.00 0.00 46.19 45.61 2wn2 s LEU 145 CO -0.05 -0.81 -0.25 -0.13 -0.55 0.00 0.00 176.35 174.56 2wn2 s ARG 146 N -3.77 1.43 0.23 1.48 0.52 -0.48 -1.24 118.95 117.12 2wn2 s ARG 146 Ca 0.03 -1.42 -0.18 0.00 -0.52 0.00 0.00 55.73 53.64 2wn2 s ARG 146 Cb 0.02 -1.80 0.02 0.00 0.52 0.00 0.00 34.95 33.71 2wn2 s ARG 146 CO -0.11 0.41 0.57 0.00 0.02 0.00 0.00 175.30 176.18 2wn2 s GLU 148 N -3.91 0.61 -0.02 0.00 2.56 -0.59 -1.74 118.70 115.61 2wn2 s GLU 148 Ca 0.12 -0.34 0.05 0.00 0.00 0.00 0.00 54.97 54.79 2wn2 s GLU 148 Cb -0.02 0.26 -0.03 0.00 2.00 0.00 0.00 34.13 36.34 2wn2 s GLU 148 CO 0.02 -0.17 -0.15 -0.06 -0.56 0.00 0.00 175.26 174.35 2wn2 s PHE 149 N -1.58 2.68 -0.18 5.30 0.40 -1.26 -0.27 117.98 123.06 2wn2 s PHE 149 Ca -0.12 -0.18 0.01 0.00 -0.60 0.00 0.00 56.93 56.04 2wn2 s PHE 149 Cb -0.05 -1.58 0.02 0.00 0.51 0.00 0.00 43.02 41.92 2wn2 s PHE 149 CO 0.02 0.22 -0.20 0.71 0.70 0.00 0.00 175.22 176.68 2wn2 s TYR 150 N -0.82 2.78 0.18 0.36 1.51 -0.15 -1.29 117.35 119.93 2wn2 s TYR 150 Ca 0.13 -1.63 0.11 0.00 -1.01 0.00 0.00 57.07 54.67 2wn2 s TYR 150 Cb -0.11 -1.92 -0.04 0.00 -0.11 0.00 0.00 41.96 39.78 2wn2 s TYR 150 CO 0.03 -0.80 -0.20 0.95 -1.11 0.00 0.00 175.55 174.42 2wn2 s THR 151 N 1.29 2.59 0.58 -0.71 -4.23 -0.29 -1.05 115.64 113.81 2wn2 s THR 151 Ca 0.05 -1.90 -0.20 0.00 -1.18 0.00 0.00 61.69 58.46 2wn2 s THR 151 Cb -0.13 -2.25 -0.04 0.00 1.34 0.00 0.00 72.50 71.42 2wn2 s THR 151 CO -0.13 -0.10 1.19 0.00 -0.54 0.00 0.00 174.62 175.04 2wn2 n GLN 152 N 0.26 1.27 -1.70 3.99 1.13 -0.77 0.09 117.38 121.65 2wn2 n GLN 152 Ca -0.12 0.48 -0.37 0.00 -1.94 0.00 0.00 57.00 55.04 2wn2 n GLN 152 Cb 0.56 -2.39 0.06 0.00 0.11 0.00 0.00 30.24 28.58 2wn2 n GLN 152 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 2wn2 n PRO 153 N -1.12 1.11 -4.02 -1.09 -0.02 -1.26 -4.70 135.00 123.90 2wn2 n PRO 153 Ca 0.13 0.43 -0.25 0.00 -2.02 0.00 0.00 63.50 61.79 2wn2 n PRO 153 Cb 0.46 -2.44 -0.04 0.00 -0.02 0.00 0.00 33.50 31.46 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 -1.41 4.92 0.01 -1.45 -7.23 -1.26 -5.00 120.40 108.97 2wn2 s VAL 154 Ca 0.80 -0.98 0.08 0.00 -1.81 0.00 0.00 61.98 60.07 2wn2 s VAL 154 Cb -0.39 -3.57 -0.03 0.00 0.56 0.00 0.00 36.38 32.95 2wn2 s VAL 154 CO 0.43 -0.18 -0.24 -1.10 -0.31 0.00 0.00 175.10 173.70 2wn2 s GLN 155 N -3.43 2.04 -0.12 4.82 -1.52 -1.26 -5.10 119.66 115.09 2wn2 s GLN 155 Ca 0.33 -0.97 0.03 0.00 -1.95 0.00 0.00 55.36 52.80 2wn2 s GLN 155 Cb -0.10 -2.07 0.01 0.00 -0.22 0.00 0.00 33.01 30.63 2wn2 s GLN 155 CO 0.26 0.55 -0.23 0.45 -0.25 0.00 0.00 175.29 176.08 2wn2 s SER 156 N -0.94 3.08 0.15 5.90 0.15 -1.26 -5.02 113.70 115.77 2wn2 s SER 156 Ca 0.11 -0.58 0.10 0.00 0.70 0.00 0.00 55.95 56.28 2wn2 s SER 156 Cb -0.10 -1.42 -0.04 0.00 -1.71 0.00 0.00 66.02 62.75 2wn2 s SER 156 CO 0.01 0.11 -0.20 -0.94 1.20 0.00 0.00 173.24 173.42 2wn2 s SER 157 N 0.63 3.70 -0.07 5.45 1.04 -1.26 -0.09 113.70 123.09 2wn2 s SER 157 Ca -0.12 -0.69 0.03 0.00 0.48 0.00 0.00 55.95 55.65 2wn2 s SER 157 Cb -0.16 -0.42 0.01 0.00 0.10 0.00 0.00 66.02 65.54 2wn2 s SER 157 CO 0.02 0.15 -0.15 -0.69 0.98 0.00 0.00 173.24 173.55 2wn2 s VAL 158 N -1.35 1.38 -0.01 5.02 1.01 -0.06 -4.98 120.40 121.40 2wn2 s VAL 158 Ca 0.19 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.61 2wn2 s VAL 158 Cb -0.09 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 2wn2 s VAL 158 CO 0.10 0.41 -0.21 -0.89 0.00 0.00 0.00 175.10 174.51 2wn2 s THR 159 N 0.54 1.63 -0.08 3.92 2.01 -1.26 -0.65 115.64 121.75 2wn2 s THR 159 Ca -0.15 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 60.99 2wn2 s THR 159 Cb -0.16 -1.35 0.01 0.00 0.01 0.00 0.00 72.50 71.00 2wn2 s THR 159 CO 0.05 0.45 -0.18 -1.10 -0.69 0.00 0.00 174.62 173.15 2wn2 s GLN 160 N -0.51 2.25 -0.15 4.92 -0.21 0.47 -5.00 119.66 121.42 2wn2 s GLN 160 Ca 0.08 -0.63 -0.08 0.00 0.02 0.00 0.00 55.36 54.75 2wn2 s GLN 160 Cb -0.08 -1.79 -0.04 0.00 1.00 0.00 0.00 33.01 32.10 2wn2 s GLN 160 CO -0.01 0.12 0.12 0.08 -2.12 0.00 0.00 175.29 173.48 2wn2 s VAL 161 N 0.43 5.29 0.01 1.09 1.01 -1.26 -1.05 120.40 125.92 2wn2 s VAL 161 Ca -0.15 0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.02 2wn2 s VAL 161 Cb -0.16 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 2wn2 s VAL 161 CO 0.06 0.53 -0.15 -0.83 0.00 0.00 0.00 175.10 174.71 2wn2 s GLY 162 N -0.33 0.77 0.01 4.51 0.00 -0.69 -5.00 107.32 106.59 2wn2 s GLY 162 Ca 0.11 -0.72 0.02 0.00 0.00 0.00 0.00 44.72 44.13 2wn2 s GLY 162 CO 0.01 -0.64 -0.01 0.00 0.00 0.00 0.00 173.10 172.47 2wn2 s ALA 163 N -0.52 3.25 -0.48 3.20 0.00 -1.26 -0.35 121.76 125.60 2wn2 s ALA 163 Ca 0.05 -0.97 -0.03 0.00 0.00 0.00 0.00 51.96 51.01 2wn2 s ALA 163 Cb -0.06 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.76 2wn2 s ALA 163 CO 0.00 0.65 0.42 -0.25 0.00 0.00 0.00 175.76 176.57 2wn2 n ASP 164 N 1.36 -3.36 -4.69 0.00 8.00 -1.01 -4.96 116.55 111.88 2wn2 n ASP 164 Ca -0.14 -0.20 -0.42 0.00 0.71 0.00 0.00 54.79 54.74 2wn2 n ASP 164 Cb 0.53 -2.12 -0.03 0.00 -0.02 0.00 0.00 41.12 39.47 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 -3.12 3.57 0.04 0.53 -1.09 0.48 -4.82 121.20 116.78 2wn2 s ILE 165 Ca 0.18 1.00 0.05 0.00 -2.23 0.00 0.00 60.65 59.66 2wn2 s ILE 165 Cb -0.08 -3.65 -0.02 0.00 -1.58 0.00 0.00 42.46 37.13 2wn2 s ILE 165 CO 0.26 0.01 -0.14 -0.47 -1.23 0.00 0.00 174.94 173.37 2wn2 s TYR 166 N 2.16 1.26 0.26 3.97 5.04 -1.26 -1.18 117.35 127.59 2wn2 s TYR 166 Ca 0.65 -0.34 0.23 0.00 -2.44 0.00 0.00 57.07 55.17 2wn2 s TYR 166 Cb -0.33 -0.75 1.05 0.00 0.35 0.00 0.00 41.96 42.27 2wn2 s TYR 166 CO 0.28 0.03 1.89 1.79 -1.34 0.00 0.00 175.55 178.21 2wn2 h THR 167 N 4.52 0.68 0.00 4.34 1.35 -1.62 -3.48 112.91 118.70 2wn2 h THR 167 Ca -0.38 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.48 2wn2 h THR 167 Cb 1.18 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 2wn2 h THR 167 CO 0.44 0.23 0.00 0.61 -0.25 0.00 0.00 175.52 176.55 2wn2 n GLY 168 N -0.18 0.23 3.77 5.82 0.00 -1.26 -4.78 105.19 108.78 2wn2 n GLY 168 Ca -0.01 -1.64 -0.38 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.42 6.57 -1.29 1.61 1.01 -1.26 -3.80 116.67 118.09 2wn2 s ASP 169 Ca 0.00 2.34 -0.01 0.00 0.71 0.00 0.00 52.55 55.59 2wn2 s ASP 169 Cb 0.00 -2.61 -0.00 0.00 1.01 0.00 0.00 42.92 41.31 2wn2 s ASP 169 CO 0.00 -0.64 0.70 -3.20 0.21 0.00 0.00 175.17 172.24 2wn2 n ASN 170 N 0.13 -1.43 -4.19 0.27 5.15 -0.64 -4.95 115.26 109.60 2wn2 n ASN 170 Ca 0.04 -0.83 -0.30 0.00 -0.60 0.00 0.00 54.58 52.90 2wn2 n ASN 170 Cb 0.46 -4.05 0.19 0.00 -0.53 0.00 0.00 39.78 35.85 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 -1.91 1.00 0.00 0.00 0.00 -1.90 -0.12 119.26 116.33 2wn2 h ALA 172 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2wn2 h ALA 172 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2wn2 h ALA 172 CO 0.43 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.96 2wn2 n LEU 173 N -2.69 0.00 -0.92 0.00 4.77 -1.26 -3.37 117.00 113.54 2wn2 n LEU 173 Ca -0.02 0.31 0.08 0.00 -0.03 0.00 0.00 56.01 56.35 2wn2 n LEU 173 Cb 0.06 -0.31 0.23 0.00 -2.33 0.00 0.00 43.42 41.07 2wn2 n LEU 173 CO 0.15 -0.10 0.69 -3.20 -1.33 0.00 0.00 177.39 173.60 2wn2 n ASN 174 N -1.31 2.67 -3.83 -1.43 5.15 -0.06 -0.97 115.26 115.48 2wn2 n ASN 174 Ca 0.09 -1.99 -0.09 0.00 -0.60 0.00 0.00 54.58 51.98 2wn2 n ASN 174 Cb 0.17 -0.33 -0.07 0.00 -0.53 0.00 0.00 39.78 39.02 2wn2 n ASN 174 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2wn2 s THR 175 N -1.35 0.12 0.00 -0.44 -1.32 -1.22 -4.73 115.64 106.72 2wn2 s THR 175 Ca 0.34 -1.02 0.00 0.00 -1.21 0.00 0.00 61.69 59.79 2wn2 s THR 175 Cb 0.18 -1.20 0.00 0.00 -1.51 0.00 0.00 72.50 69.97 2wn2 s THR 175 CO 0.23 -0.57 0.00 0.61 -2.21 0.00 0.00 174.62 172.69 2wn2 n GLY 176 N 0.14 -2.49 3.38 6.08 0.00 -1.26 -5.01 105.19 106.04 2wn2 n GLY 176 Ca -0.16 -1.65 -0.12 0.00 0.00 0.00 0.00 46.02 44.09 2wn2 n GLY 176 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wn2 s SER 177 N -2.49 0.25 0.00 1.61 1.04 -1.26 -4.80 113.70 108.05 2wn2 s SER 177 Ca 0.00 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.17 2wn2 s SER 177 Cb 0.00 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2wn2 s SER 177 CO 0.00 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.81 2wn2 n GLY 178 N -0.37 -2.18 3.69 7.32 0.00 0.12 -4.82 105.19 108.94 2wn2 n GLY 178 Ca 0.01 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 2wn2 n GLY 178 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wn2 s LYS 179 N -0.29 4.14 -0.01 1.61 1.02 -1.26 -3.87 119.74 121.07 2wn2 s LYS 179 Ca 0.00 2.59 -0.02 0.00 0.02 0.00 0.00 55.97 58.56 2wn2 s LYS 179 Cb 0.00 -3.64 0.00 0.00 -0.52 0.00 0.00 37.83 33.67 2wn2 s LYS 179 CO 0.00 -0.85 0.06 1.03 -0.92 0.00 0.00 175.35 174.67 2wn2 s ARG 180 N 2.87 0.17 0.07 1.68 0.52 -0.85 -4.99 118.95 118.42 2wn2 s ARG 180 Ca 0.81 -0.11 0.02 0.00 -0.52 0.00 0.00 55.73 55.93 2wn2 s ARG 180 Cb -0.46 0.07 -0.03 0.00 0.52 0.00 0.00 34.95 35.05 2wn2 s ARG 180 CO 0.37 -0.03 -0.06 -1.83 0.02 0.00 0.00 175.30 173.76 2wn2 s GLU 181 N -0.44 0.67 -0.11 3.54 -1.05 -1.26 -1.81 118.70 118.23 2wn2 s GLU 181 Ca -0.05 -1.07 0.01 0.00 -0.15 0.00 0.00 54.97 53.71 2wn2 s GLU 181 Cb -0.03 -0.18 0.02 0.00 -0.44 0.00 0.00 34.13 33.50 2wn2 s GLU 181 CO 0.00 -0.00 -0.11 0.08 0.95 0.00 0.00 175.26 176.17 2wn2 s VAL 182 N -2.69 1.27 -0.17 1.83 1.01 0.35 -4.83 120.40 117.17 2wn2 s VAL 182 Ca 0.02 -0.47 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 2wn2 s VAL 182 Cb -0.01 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 2wn2 s VAL 182 CO -0.03 0.40 -0.03 -0.69 0.00 0.00 0.00 175.10 174.76 2wn2 s VAL 183 N 1.34 3.91 -0.23 2.92 1.01 -1.26 -0.95 120.40 127.15 2wn2 s VAL 183 Ca -0.00 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.64 2wn2 s VAL 183 Cb -0.14 -2.73 0.05 0.00 0.00 0.00 0.00 36.38 33.57 2wn2 s VAL 183 CO -0.06 0.47 -0.09 -0.69 0.00 0.00 0.00 175.10 174.74 2wn2 s VAL 184 N 0.56 1.74 0.33 2.92 1.01 0.12 -4.97 120.40 122.11 2wn2 s VAL 184 Ca -0.02 -1.23 -0.28 0.00 0.00 0.00 0.00 61.98 60.45 2wn2 s VAL 184 Cb -0.14 -1.88 -0.10 0.00 0.00 0.00 0.00 36.38 34.26 2wn2 s VAL 184 CO 0.02 0.04 1.18 -2.84 0.00 0.00 0.00 175.10 173.50 2wn2 s PRO 185 N 1.32 4.40 -0.05 2.72 0.02 -1.26 -0.70 135.00 141.45 2wn2 s PRO 185 Ca -0.05 1.94 0.04 0.00 0.02 0.00 0.00 61.00 62.95 2wn2 s PRO 185 Cb -0.18 -3.01 -0.00 0.00 0.02 0.00 0.00 34.50 31.33 2wn2 s PRO 185 CO -0.07 -0.05 -0.16 0.08 -0.33 0.00 0.00 177.00 176.47 2wn2 s VAL 186 N -1.23 1.39 -0.13 3.83 1.01 0.34 -4.88 120.40 120.73 2wn2 s VAL 186 Ca 0.49 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.80 2wn2 s VAL 186 Cb -0.34 -1.21 -0.00 0.00 0.00 0.00 0.00 36.38 34.83 2wn2 s VAL 186 CO 0.44 0.40 -0.17 -0.75 0.00 0.00 0.00 175.10 175.02 2wn2 s LYS 187 N 0.14 3.22 0.51 2.72 2.20 -1.26 -1.39 119.74 125.88 2wn2 s LYS 187 Ca -0.06 -0.76 -0.21 0.00 -0.36 0.00 0.00 55.97 54.57 2wn2 s LYS 187 Cb -0.12 -2.55 -0.06 0.00 -1.51 0.00 0.00 37.83 33.59 2wn2 s LYS 187 CO 0.03 0.11 1.20 -0.06 -0.36 0.00 0.00 175.35 176.27 2wn2 s PHE 188 N 0.57 2.65 0.22 4.03 0.08 0.33 -4.93 117.98 120.93 2wn2 s PHE 188 Ca -0.10 1.51 -0.08 0.00 0.12 0.00 0.00 56.93 58.37 2wn2 s PHE 188 Cb -0.16 -3.45 0.29 0.00 -0.57 0.00 0.00 43.02 39.13 2wn2 s PHE 188 CO 0.04 -1.88 1.78 0.37 -0.10 0.00 0.00 175.22 175.42 2wn2 h GLN 189 N 1.59 0.55 -5.14 0.44 4.15 -1.97 -3.42 115.11 111.32 2wn2 h GLN 189 Ca -0.50 -0.03 -0.35 0.00 0.77 0.00 0.00 58.65 58.54 2wn2 h GLN 189 Cb 1.27 -0.12 -0.16 0.00 0.21 0.00 0.00 27.48 28.68 2wn2 h GLN 189 CO 0.58 0.37 -0.73 -0.59 -1.93 0.00 0.00 178.83 176.53 2wn2 s PHE 190 N -6.08 1.27 0.05 3.99 -0.12 -1.26 -5.13 117.98 110.71 2wn2 s PHE 190 Ca -0.13 -0.69 -0.30 0.00 -0.05 0.00 0.00 56.93 55.75 2wn2 s PHE 190 Cb 0.17 -0.65 -0.05 0.00 -0.63 0.00 0.00 43.02 41.86 2wn2 s PHE 190 CO 0.76 0.09 1.17 -2.00 -0.05 0.00 0.00 175.22 175.19 2wn2 s GLU 191 N -3.38 4.45 0.52 1.99 2.12 -1.26 -4.88 118.70 118.26 2wn2 s GLU 191 Ca 0.14 1.72 -0.20 0.00 0.36 0.00 0.00 54.97 56.98 2wn2 s GLU 191 Cb 0.00 -3.37 -0.07 0.00 0.26 0.00 0.00 34.13 30.95 2wn2 s GLU 191 CO 0.01 -0.24 1.10 -0.06 -0.54 0.00 0.00 175.26 175.53 2wn2 s PHE 192 N 1.12 2.79 0.19 5.30 0.08 -0.38 -4.97 117.98 122.11 2wn2 s PHE 192 Ca 0.58 1.56 0.16 0.00 0.12 0.00 0.00 56.93 59.34 2wn2 s PHE 192 Cb -0.28 -3.21 0.54 0.00 -0.57 0.00 0.00 43.02 39.50 2wn2 s PHE 192 CO 0.29 -1.30 1.68 0.00 -0.10 0.00 0.00 175.22 175.78 2wn2 h ALA 193 N 1.36 0.97 -2.45 5.36 0.00 -1.95 -3.45 119.26 119.09 2wn2 h ALA 193 Ca -0.50 -0.43 -0.23 0.00 0.00 0.00 0.00 54.91 53.76 2wn2 h ALA 193 Cb 1.25 -0.07 -0.15 0.00 0.00 0.00 0.00 17.79 18.81 2wn2 h ALA 193 CO 0.58 0.58 -0.64 0.95 0.00 0.00 0.00 179.25 180.72 2wn2 s THR 194 N -3.57 0.18 0.06 0.00 -4.23 -1.26 -5.12 115.64 101.70 2wn2 s THR 194 Ca -0.00 -1.95 -0.31 0.00 -1.18 0.00 0.00 61.69 58.25 2wn2 s THR 194 Cb 0.11 -2.25 -0.08 0.00 1.34 0.00 0.00 72.50 71.63 2wn2 s THR 194 CO 0.72 -0.28 1.62 -0.22 -0.54 0.00 0.00 174.62 175.92 2wn2 s LEU 195 N -3.12 4.36 0.56 4.79 2.96 -1.26 -4.80 118.68 122.17 2wn2 s LEU 195 Ca 0.30 2.44 -0.08 0.00 -0.22 0.00 0.00 54.13 56.56 2wn2 s LEU 195 Cb 0.07 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.17 2wn2 s LEU 195 CO 0.06 -0.87 0.92 -2.16 -1.32 0.00 0.00 176.35 172.99 2wn2 s PRO 196 N 2.65 3.48 0.00 0.98 0.04 -1.26 -4.62 135.00 136.26 2wn2 s PRO 196 Ca 0.73 0.44 -0.03 0.00 0.04 0.00 0.00 61.00 62.18 2wn2 s PRO 196 Cb -0.39 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.90 2wn2 s PRO 196 CO 0.32 -0.46 0.21 0.15 0.04 0.00 0.00 177.00 177.26 2wn2 s LYS 197 N -4.99 3.47 -0.11 4.56 1.02 -0.06 -4.90 119.74 118.72 2wn2 s LYS 197 Ca 0.52 -0.28 0.00 0.00 0.02 0.00 0.00 55.97 56.24 2wn2 s LYS 197 Cb -0.11 -3.08 0.02 0.00 -0.52 0.00 0.00 37.83 34.14 2wn2 s LYS 197 CO 0.49 0.66 -0.11 0.08 -0.92 0.00 0.00 175.35 175.56 2wn2 s VAL 198 N -1.34 1.21 -0.02 3.17 1.01 -1.26 -1.21 120.40 121.95 2wn2 s VAL 198 Ca 0.28 -0.43 -0.13 0.00 0.00 0.00 0.00 61.98 61.70 2wn2 s VAL 198 Cb -0.13 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 2wn2 s VAL 198 CO 0.19 0.39 0.36 0.00 0.00 0.00 0.00 175.10 176.04 2wn2 s ALA 199 N 1.41 3.73 -0.26 5.51 0.00 0.05 -4.91 121.76 127.29 2wn2 s ALA 199 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 51.96 51.66 2wn2 s ALA 199 Cb -0.13 -2.31 0.15 0.00 0.00 0.00 0.00 23.12 20.82 2wn2 s ALA 199 CO -0.06 0.51 0.40 -1.17 0.00 0.00 0.00 175.76 175.44 2wn2 s LEU 200 N -1.08 -0.74 0.08 0.00 2.96 -1.26 -1.11 118.68 117.53 2wn2 s LEU 200 Ca 0.22 0.09 0.02 0.00 -0.22 0.00 0.00 54.13 54.25 2wn2 s LEU 200 Cb -0.16 1.19 -0.03 0.00 0.50 0.00 0.00 46.19 47.69 2wn2 s LEU 200 CO 0.12 -0.31 -0.08 0.20 -1.32 0.00 0.00 176.35 174.96 2wn2 s ASN 201 N 2.57 1.11 0.28 3.68 0.01 -0.88 -4.76 114.94 116.96 2wn2 s ASN 201 Ca 0.12 -0.82 -0.29 0.00 -0.71 0.00 0.00 52.86 51.17 2wn2 s ASN 201 Cb -0.14 0.06 -0.10 0.00 0.41 0.00 0.00 41.25 41.48 2wn2 s ASN 201 CO -0.20 -0.34 1.19 -0.36 -1.51 0.00 0.00 177.10 175.88 2wn2 s PHE 202 N -2.64 3.37 0.00 2.20 0.40 -1.26 -1.83 117.98 118.21 2wn2 s PHE 202 Ca 0.03 1.55 0.00 0.00 -0.60 0.00 0.00 56.93 57.92 2wn2 s PHE 202 Cb -0.01 -3.45 0.00 0.00 0.51 0.00 0.00 43.02 40.07 2wn2 s PHE 202 CO -0.02 -1.12 0.03 -0.40 0.70 0.00 0.00 175.22 174.40 2wn2 n ASP 203 N 1.26 0.05 -3.69 1.36 5.75 -0.54 -4.85 116.55 115.90 2wn2 n ASP 203 Ca 0.00 -0.46 -0.10 0.00 -0.01 0.00 0.00 54.79 54.22 2wn2 n ASP 203 Cb 0.44 0.80 -0.10 0.00 -1.03 0.00 0.00 41.12 41.23 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 -0.80 0.50 -0.05 0.11 0.74 -1.17 -4.98 119.66 114.01 2wn2 s GLN 204 Ca 0.00 0.86 0.00 0.00 0.05 0.00 0.00 55.36 56.27 2wn2 s GLN 204 Cb 0.00 0.07 0.02 0.00 1.10 0.00 0.00 33.01 34.21 2wn2 s GLN 204 CO 0.00 -0.14 -0.02 0.42 -0.55 0.00 0.00 175.29 175.00 2wn2 s ILE 205 N 1.23 0.41 -0.27 -2.34 1.01 -1.26 -1.12 121.20 118.85 2wn2 s ILE 205 Ca -0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 60.65 60.53 2wn2 s ILE 205 Cb -0.07 -0.48 0.09 0.00 0.01 0.00 0.00 42.46 42.01 2wn2 s ILE 205 CO -0.12 0.22 0.11 -0.62 0.00 0.00 0.00 174.94 174.53 2wn2 s ASP 206 N 1.22 3.50 0.06 3.58 -1.08 -0.86 -5.04 116.67 118.05 2wn2 s ASP 206 Ca -0.07 -1.28 -0.18 0.00 -0.52 0.00 0.00 52.55 50.51 2wn2 s ASP 206 Cb -0.14 -0.51 0.04 0.00 -1.46 0.00 0.00 42.92 40.85 2wn2 s ASP 206 CO -0.02 -0.41 0.42 0.00 0.52 0.00 0.00 175.17 175.69 2wn2 s THR 208 N -2.72 4.88 0.80 0.00 2.01 -0.00 -4.96 115.64 115.66 2wn2 s THR 208 Ca -0.04 -0.01 -0.11 0.00 0.31 0.00 0.00 61.69 61.84 2wn2 s THR 208 Cb -0.00 -3.15 0.08 0.00 0.01 0.00 0.00 72.50 69.43 2wn2 s THR 208 CO -0.04 0.53 1.09 1.51 -0.69 0.00 0.00 174.62 177.02 2wn2 s ASP 209 N -0.28 4.25 -0.27 3.53 1.47 -1.26 -3.98 116.67 120.13 2wn2 s ASP 209 Ca 0.09 1.69 0.01 0.00 1.18 0.00 0.00 52.55 55.52 2wn2 s ASP 209 Cb -0.12 -2.40 0.08 0.00 -0.34 0.00 0.00 42.92 40.14 2wn2 s ASP 209 CO 0.01 -2.17 -0.00 0.00 0.68 0.00 0.00 175.17 173.69 2wn2 s ALA 210 N -2.93 2.13 -1.33 2.11 0.00 -0.05 -4.75 121.76 116.93 2wn2 s ALA 210 Ca 0.62 -1.71 -0.05 0.00 0.00 0.00 0.00 51.96 50.82 2wn2 s ALA 210 Cb -0.17 -1.60 -0.00 0.00 0.00 0.00 0.00 23.12 21.35 2wn2 s ALA 210 CO 0.56 -1.40 0.54 2.41 0.00 0.00 0.00 175.76 177.87 2wn2 n THR 211 N 4.60 -3.84 -0.78 0.00 -1.04 -1.26 -1.25 114.28 110.71 2wn2 n THR 211 Ca -0.07 -0.59 0.00 0.00 -2.04 0.00 0.00 64.05 61.35 2wn2 n THR 211 Cb 0.43 -3.16 0.00 0.00 -1.82 0.00 0.00 70.33 65.78 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 -2.93 -0.66 -4.79 8.00 3.02 -1.26 -4.99 115.26 111.65 2wn2 n ASN 212 Ca -0.27 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 53.92 2wn2 n ASN 212 Cb 0.67 -1.41 -0.07 0.00 -0.61 0.00 0.00 39.78 38.36 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 -0.59 3.99 -0.20 3.52 2.00 -0.38 -5.01 119.66 122.98 2wn2 s GLN 213 Ca 0.00 0.09 -0.12 0.00 -2.00 0.00 0.00 55.36 53.34 2wn2 s GLN 213 Cb 0.00 -3.32 -0.05 0.00 0.80 0.00 0.00 33.01 30.44 2wn2 s GLN 213 CO 0.00 0.47 0.22 0.99 -0.50 0.00 0.00 175.29 176.47 2wn2 s THR 214 N -0.24 5.34 -0.21 -0.34 2.01 -1.26 -0.87 115.64 120.08 2wn2 s THR 214 Ca 0.17 0.36 -0.03 0.00 0.31 0.00 0.00 61.69 62.50 2wn2 s THR 214 Cb -0.13 -3.56 0.07 0.00 0.01 0.00 0.00 72.50 68.89 2wn2 s THR 214 CO 0.06 0.38 0.06 -0.13 -0.69 0.00 0.00 174.62 174.30 2wn2 s ARG 215 N 0.66 0.49 0.01 4.92 0.52 -1.26 -5.07 118.95 119.22 2wn2 s ARG 215 Ca 0.12 -0.43 -0.06 0.00 -0.52 0.00 0.00 55.73 54.84 2wn2 s ARG 215 Cb -0.13 -1.96 -0.00 0.00 0.52 0.00 0.00 34.95 33.39 2wn2 s ARG 215 CO 0.02 -0.72 0.11 0.96 0.02 0.00 0.00 175.30 175.70 2wn2 s ILE 216 N 1.92 0.09 0.13 1.52 -4.36 -1.26 -4.50 121.20 114.73 2wn2 s ILE 216 Ca 0.02 -0.73 -0.18 0.00 -0.26 0.00 0.00 60.65 59.50 2wn2 s ILE 216 Cb -0.17 -0.41 0.04 0.00 1.25 0.00 0.00 42.46 43.17 2wn2 s ILE 216 CO -0.13 -0.40 0.44 -0.83 0.24 0.00 0.00 174.94 174.27 2wn2 s GLY 217 N -1.41 -0.34 -0.12 6.27 0.00 -0.60 -5.00 107.32 106.12 2wn2 s GLY 217 Ca -0.15 0.08 -0.11 0.00 0.00 0.00 0.00 44.72 44.54 2wn2 s GLY 217 CO 0.01 -0.20 0.33 0.54 0.00 0.00 0.00 173.10 173.78 2wn2 s VAL 218 N -3.72 -0.00 -0.21 1.40 0.11 -1.26 -1.10 120.40 115.62 2wn2 s VAL 218 Ca 0.02 0.01 -0.19 0.00 -2.93 0.00 0.00 61.98 58.88 2wn2 s VAL 218 Cb 0.01 -0.46 0.06 0.00 -1.53 0.00 0.00 36.38 34.46 2wn2 s VAL 218 CO -0.12 0.00 0.57 -1.58 -3.33 0.00 0.00 175.10 170.65 2wn2 s GLN 219 N 0.24 0.66 0.43 1.54 2.00 -0.13 -4.93 119.66 119.47 2wn2 s GLN 219 Ca -0.01 0.81 -0.23 0.00 -2.00 0.00 0.00 55.36 53.93 2wn2 s GLN 219 Cb -0.03 0.31 -0.09 0.00 0.80 0.00 0.00 33.01 34.01 2wn2 s GLN 219 CO -0.00 -0.08 1.07 -1.25 -0.50 0.00 0.00 175.29 174.52 2wn2 s PRO 220 N 0.38 4.02 0.02 1.67 0.05 -1.26 -0.98 135.00 138.90 2wn2 s PRO 220 Ca -0.01 1.53 0.00 0.00 0.05 0.00 0.00 61.00 62.58 2wn2 s PRO 220 Cb -0.04 -2.43 -0.02 0.00 0.05 0.00 0.00 34.50 32.06 2wn2 s PRO 220 CO -0.00 -0.27 -0.03 0.50 0.05 0.00 0.00 177.00 177.24 2wn2 s ARG 221 N -2.68 0.29 -1.13 4.56 3.52 -0.10 -4.90 118.95 118.51 2wn2 s ARG 221 Ca 0.61 -0.50 -0.04 0.00 -0.13 0.00 0.00 55.73 55.66 2wn2 s ARG 221 Cb -0.22 0.01 0.00 0.00 -1.56 0.00 0.00 34.95 33.18 2wn2 s ARG 221 CO 0.27 -0.02 0.97 0.09 -0.81 0.00 0.00 175.30 175.80 2wn2 n ASN 222 N 1.90 -4.21 -4.72 -2.12 3.02 -1.26 -0.81 115.26 107.06 2wn2 n ASN 222 Ca -0.21 -0.50 -0.42 0.00 -0.03 0.00 0.00 54.58 53.42 2wn2 n ASN 222 Cb 0.56 -4.50 -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 -3.29 2.97 0.42 2.41 1.01 -1.26 -4.33 121.20 119.13 2wn2 s ILE 223 Ca 0.29 0.71 0.03 0.00 0.00 0.00 0.00 60.65 61.69 2wn2 s ILE 223 Cb -0.13 -3.46 -0.01 0.00 0.01 0.00 0.00 42.46 38.87 2wn2 s ILE 223 CO 0.64 0.07 0.12 0.35 0.00 0.00 0.00 174.94 176.12 2wn2 n THR 224 N 3.70 0.00 0.33 2.92 -2.24 0.23 -5.01 114.28 114.22 2wn2 n THR 224 Ca 0.12 -2.38 0.22 0.00 -2.27 0.00 0.00 64.05 59.73 2wn2 n THR 224 Cb 0.41 0.79 1.14 0.00 -2.10 0.00 0.00 70.33 70.57 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 1.61 0.05 0.00 4.28 1.35 -1.87 -3.23 112.91 115.10 2wn2 h THR 225 Ca -0.33 -0.07 -0.23 0.00 -0.55 0.00 0.00 66.41 65.23 2wn2 h THR 225 Cb 1.23 1.06 -0.04 0.00 -1.73 0.00 0.00 68.15 68.67 2wn2 h THR 225 CO 0.54 0.00 -2.05 0.29 -0.25 0.00 0.00 175.52 174.05 2wn2 n LYS 226 N -3.14 0.66 -2.91 4.72 5.02 -1.26 -1.25 118.16 119.99 2wn2 n LYS 226 Ca -0.03 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2wn2 n LYS 226 Cb 0.10 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 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 1.54 -0.55 3.76 0.72 0.00 -1.22 -0.51 105.19 108.93 2wn2 n GLY 227 Ca -0.20 -0.77 -0.05 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.15 -0.18 -0.25 1.61 -0.71 -0.49 -0.60 117.98 114.20 2wn2 s PHE 228 Ca 0.00 -0.17 -0.11 0.00 -1.04 0.00 0.00 56.93 55.61 2wn2 s PHE 228 Cb 0.00 0.66 -0.05 0.00 -1.21 0.00 0.00 43.02 42.42 2wn2 s PHE 228 CO 0.00 -0.97 0.20 -0.51 -1.34 0.00 0.00 175.22 172.60 2wn2 s ASP 229 N -2.90 6.11 -0.40 1.98 1.01 0.01 -0.50 116.67 121.97 2wn2 s ASP 229 Ca 0.11 0.10 -0.26 0.00 0.71 0.00 0.00 52.55 53.21 2wn2 s ASP 229 Cb -0.03 -2.13 0.02 0.00 1.01 0.00 0.00 42.92 41.79 2wn2 s ASP 229 CO 0.03 -0.00 0.93 0.00 0.21 0.00 0.00 175.17 176.34 2wn2 s VAL 231 N 3.60 4.64 0.11 0.00 1.01 -0.15 -0.71 120.40 128.91 2wn2 s VAL 231 Ca 0.38 -1.01 -0.18 0.00 0.00 0.00 0.00 61.98 61.17 2wn2 s VAL 231 Cb -0.11 -3.68 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 2wn2 s VAL 231 CO 0.22 -0.36 0.58 -0.36 0.00 0.00 0.00 175.10 175.17 2wn2 s PHE 232 N 1.54 3.74 0.13 5.22 0.08 -0.12 -0.96 117.98 127.62 2wn2 s PHE 232 Ca 0.03 1.23 -0.17 0.00 0.12 0.00 0.00 56.93 58.13 2wn2 s PHE 232 Cb -0.21 -2.47 0.04 0.00 -0.57 0.00 0.00 43.02 39.81 2wn2 s PHE 232 CO 0.06 0.52 0.44 1.52 -0.10 0.00 0.00 175.22 177.66 2wn2 s TYR 233 N -1.25 -0.25 0.31 0.36 -0.85 -0.25 -0.49 117.35 114.93 2wn2 s TYR 233 Ca 0.33 -0.05 0.03 0.00 -0.52 0.00 0.00 57.07 56.85 2wn2 s TYR 233 Cb -0.18 0.31 -0.01 0.00 0.38 0.00 0.00 41.96 42.46 2wn2 s TYR 233 CO 0.19 -0.73 0.36 -2.37 -1.52 0.00 0.00 175.55 171.48 2wn2 n THR 234 N -0.25 0.00 -3.68 -3.49 5.66 -0.75 -1.55 114.28 110.21 2wn2 n THR 234 Ca -0.16 -1.91 -0.08 0.00 -3.05 0.00 0.00 64.05 58.85 2wn2 n THR 234 Cb 0.64 1.05 0.01 0.00 -1.55 0.00 0.00 70.33 70.48 2wn2 n THR 234 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35 2wn2 n TRP 235 N -0.55 -1.79 -3.86 1.09 2.14 -1.26 -2.00 117.44 111.21 2wn2 n TRP 235 Ca 0.04 -1.48 0.00 0.00 2.07 0.00 0.00 57.50 58.13 2wn2 n TRP 235 Cb 0.54 0.61 0.00 0.00 -0.81 0.00 0.00 31.31 31.66 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 -1.49 0.00 -1.04 -0.67 2.85 -1.25 -2.80 115.26 110.86 2wn2 n ASN 236 Ca -0.05 0.00 0.11 0.00 -0.11 0.00 0.00 54.58 54.53 2wn2 n ASN 236 Cb 0.44 0.00 0.26 0.00 1.24 0.00 0.00 39.78 41.72 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 9.63 2.34 -1.96 1.20 -0.58 -1.26 -0.70 120.64 129.29 2wn2 n GLU 237 Ca 0.00 -2.04 -0.40 0.00 -0.42 0.00 0.00 57.16 54.30 2wn2 n GLU 237 Cb 0.00 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 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 -1.31 6.20 -0.23 1.62 -0.87 -1.12 -4.91 114.94 114.33 2wn2 s ASN 238 Ca 0.38 2.76 -0.03 0.00 -1.57 0.00 0.00 52.86 54.40 2wn2 s ASN 238 Cb 0.21 -2.65 -0.00 0.00 -0.02 0.00 0.00 41.25 38.80 2wn2 s ASN 238 CO 0.29 -0.93 -0.04 -0.54 -2.57 0.00 0.00 177.10 173.30 2wn2 s LYS 239 N -2.27 3.25 -0.22 -0.60 -0.14 -1.26 -4.79 119.74 113.71 2wn2 s LYS 239 Ca 0.57 -0.71 -0.03 0.00 -1.36 0.00 0.00 55.97 54.45 2wn2 s LYS 239 Cb -0.40 -3.01 0.00 0.00 -1.68 0.00 0.00 37.83 32.74 2wn2 s LYS 239 CO 0.52 -0.25 -0.07 0.08 -0.76 0.00 0.00 175.35 174.87 2wn2 s VAL 240 N 1.45 3.05 -0.01 3.17 1.01 -0.15 -0.82 120.40 128.10 2wn2 s VAL 240 Ca 0.05 -0.68 -0.22 0.00 0.00 0.00 0.00 61.98 61.13 2wn2 s VAL 240 Cb -0.15 -2.41 -0.22 0.00 0.00 0.00 0.00 36.38 33.61 2wn2 s VAL 240 CO -0.04 0.39 1.11 0.22 0.00 0.00 0.00 175.10 176.79 2wn2 h TYR 241 N 8.07 0.44 -2.70 5.22 3.20 -1.45 -2.29 116.97 127.46 2wn2 h TYR 241 Ca -0.41 -0.22 -0.03 0.00 3.14 0.00 0.00 58.73 61.22 2wn2 h TYR 241 Cb 1.15 -0.06 -0.14 0.00 1.54 0.00 0.00 36.73 39.22 2wn2 h TYR 241 CO 0.56 1.00 0.21 -1.54 -1.64 0.00 0.00 178.16 176.76 2wn2 s SER 242 N -6.48 -0.59 -0.03 -2.11 1.04 -0.74 -1.53 113.70 103.26 2wn2 s SER 242 Ca -0.14 0.20 -0.06 0.00 0.48 0.00 0.00 55.95 56.43 2wn2 s SER 242 Cb 0.03 0.58 0.01 0.00 0.10 0.00 0.00 66.02 66.73 2wn2 s SER 242 CO 0.78 -0.86 0.14 -0.76 0.98 0.00 0.00 173.24 173.52 2wn2 s LEU 243 N -2.31 1.51 0.05 2.42 1.43 -1.26 -2.03 118.68 118.49 2wn2 s LEU 243 Ca -0.02 0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.19 2wn2 s LEU 243 Cb -0.01 0.56 -0.02 0.00 0.03 0.00 0.00 46.19 46.75 2wn2 s LEU 243 CO -0.07 -0.19 -0.14 -0.60 0.23 0.00 0.00 176.35 175.58 2wn2 s ARG 244 N -0.57 0.91 0.03 1.70 3.52 -0.28 -1.40 118.95 122.85 2wn2 s ARG 244 Ca -0.07 -0.79 -0.08 0.00 -0.13 0.00 0.00 55.73 54.66 2wn2 s ARG 244 Cb -0.04 -0.92 -0.00 0.00 -1.56 0.00 0.00 34.95 32.43 2wn2 s ARG 244 CO 0.01 0.22 0.15 0.00 -0.81 0.00 0.00 175.30 174.87 2wn2 s ALA 245 N -0.93 -0.27 0.13 6.12 0.00 -0.33 -1.46 121.76 125.01 2wn2 s ALA 245 Ca 0.01 -0.31 0.05 0.00 0.00 0.00 0.00 51.96 51.71 2wn2 s ALA 245 Cb -0.08 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 2wn2 s ALA 245 CO 0.01 -0.31 0.02 -0.51 0.00 0.00 0.00 175.76 174.98 2wn2 s ASP 246 N -1.91 5.05 0.17 0.00 1.01 -0.76 -0.39 116.67 119.83 2wn2 s ASP 246 Ca -0.08 -0.22 0.10 0.00 0.71 0.00 0.00 52.55 53.06 2wn2 s ASP 246 Cb -0.03 -1.20 -0.04 0.00 1.01 0.00 0.00 42.92 42.67 2wn2 s ASP 246 CO -0.03 0.13 -0.22 -0.72 0.21 0.00 0.00 175.17 174.55 2wn2 s TYR 247 N -1.50 2.05 -0.11 4.23 1.13 0.53 -2.06 117.35 121.61 2wn2 s TYR 247 Ca 0.27 -0.41 -0.01 0.00 -1.41 0.00 0.00 57.07 55.51 2wn2 s TYR 247 Cb -0.11 -1.04 0.03 0.00 -1.10 0.00 0.00 41.96 39.75 2wn2 s TYR 247 CO 0.19 0.39 -0.02 0.42 -2.51 0.00 0.00 175.55 174.03 2wn2 s ILE 248 N -1.73 0.64 -0.12 -3.49 1.09 -0.27 -1.70 121.20 115.62 2wn2 s ILE 248 Ca 0.17 -0.17 0.02 0.00 -1.10 0.00 0.00 60.65 59.57 2wn2 s ILE 248 Cb -0.07 -0.82 -0.00 0.00 -1.06 0.00 0.00 42.46 40.50 2wn2 s ILE 248 CO 0.08 0.19 -0.20 0.00 -0.10 0.00 0.00 174.94 174.91 2wn2 s ALA 249 N 1.85 2.31 -0.04 9.38 0.00 -0.22 -0.77 121.76 134.28 2wn2 s ALA 249 Ca 0.04 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.03 2wn2 s ALA 249 Cb -0.13 -0.97 0.02 0.00 0.00 0.00 0.00 23.12 22.03 2wn2 s ALA 249 CO -0.07 0.20 -0.07 0.99 0.00 0.00 0.00 175.76 176.82 2wn2 s THR 250 N 0.46 0.67 0.06 0.00 2.01 -0.35 -0.40 115.64 118.08 2wn2 s THR 250 Ca -0.14 -0.23 0.07 0.00 0.31 0.00 0.00 61.69 61.70 2wn2 s THR 250 Cb -0.17 -0.65 -0.03 0.00 0.01 0.00 0.00 72.50 71.66 2wn2 s THR 250 CO 0.06 0.24 -0.17 0.00 -0.69 0.00 0.00 174.62 174.06 2wn2 s ALA 251 N 0.65 2.66 0.03 7.40 0.00 0.18 -0.88 121.76 131.80 2wn2 s ALA 251 Ca -0.10 -1.21 0.04 0.00 0.00 0.00 0.00 51.96 50.69 2wn2 s ALA 251 Cb -0.13 -0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 2wn2 s ALA 251 CO 0.01 0.58 -0.08 -0.51 0.00 0.00 0.00 175.76 175.77 2wn2 s LEU 252 N -1.61 3.13 0.00 0.00 1.43 -1.26 -0.88 118.68 119.49 2wn2 s LEU 252 Ca 0.16 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 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 0.07 0.25 0.00 -0.62 0.23 0.00 0.00 176.35 176.28