#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w94 h MET 1 N 0.00 1.01 -0.00 0.00 1.85 -2.07 -3.04 114.93 112.68 2w94 h MET 1 Ca 0.00 -0.29 0.00 0.00 -0.61 0.00 0.00 59.70 58.80 2w94 h MET 1 Cb 0.00 -0.11 -0.00 0.00 0.43 0.00 0.00 31.60 31.92 2w94 h MET 1 CO 0.00 0.97 0.01 0.66 -0.40 0.00 0.00 176.91 178.15 2w94 h SER 2 N 0.94 0.00 -0.02 1.39 4.64 -2.08 -1.92 113.55 116.49 2w94 h SER 2 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2w94 h SER 2 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2w94 h SER 2 CO 0.02 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.33 2w94 n THR 3 N -3.14 1.57 -1.62 2.95 -2.24 -1.16 -5.05 114.28 105.60 2w94 n THR 3 Ca -0.03 -1.76 -0.46 0.00 -2.27 0.00 0.00 64.05 59.52 2w94 n THR 3 Cb 0.08 0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.33 2w94 n THR 3 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2w94 n GLN 4 N -1.00 1.60 -0.10 -0.78 7.27 -0.73 -1.94 117.38 121.70 2w94 n GLN 4 Ca 0.11 0.57 0.00 0.00 0.07 0.00 0.00 57.00 57.74 2w94 n GLN 4 Cb 0.51 -2.11 0.00 0.00 2.41 0.00 0.00 30.24 31.05 2w94 n GLN 4 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2w94 n GLY 5 N 1.88 1.62 3.94 1.69 0.00 -1.26 -5.03 105.19 108.03 2w94 n GLY 5 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 2w94 n GLY 5 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2w94 s LEU 6 N 0.00 4.23 -0.02 0.99 1.43 -0.82 -4.61 118.68 119.88 2w94 s LEU 6 Ca 0.00 0.32 -0.28 0.00 -1.03 0.00 0.00 54.13 53.15 2w94 s LEU 6 Cb 0.00 -3.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.09 2w94 s LEU 6 CO 0.00 -0.06 0.88 -0.69 0.23 0.00 0.00 176.35 176.71 2w94 s VAL 7 N -1.92 4.93 -0.68 -1.59 1.01 0.13 -4.85 120.40 117.42 2w94 s VAL 7 Ca 0.37 1.84 -0.21 0.00 0.00 0.00 0.00 61.98 63.98 2w94 s VAL 7 Cb -0.11 -4.22 0.09 0.00 0.00 0.00 0.00 36.38 32.14 2w94 s VAL 7 CO 0.30 0.20 0.93 -1.10 0.00 0.00 0.00 175.10 175.43 2w94 s GLN 8 N 0.91 3.17 0.07 2.72 -0.21 -1.26 -1.46 119.66 123.60 2w94 s GLN 8 Ca 0.47 -1.08 -0.26 0.00 0.02 0.00 0.00 55.36 54.51 2w94 s GLN 8 Cb -0.20 -4.33 -0.17 0.00 1.00 0.00 0.00 33.01 29.31 2w94 s GLN 8 CO 0.25 -1.75 1.66 -0.07 -2.12 0.00 0.00 175.29 173.25 2w94 h LEU 9 N 10.92 -0.25 -0.49 2.90 3.38 -1.69 -2.08 115.31 128.00 2w94 h LEU 9 Ca -0.23 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.59 2w94 h LEU 9 Cb 1.07 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2w94 h LEU 9 CO 1.15 -0.14 -0.20 -0.07 0.09 0.00 0.00 178.44 179.27 2w94 h LEU 10 N -0.34 1.03 -1.27 1.67 4.07 -1.92 0.15 115.31 118.70 2w94 h LEU 10 Ca -0.03 -0.39 0.01 0.00 0.08 0.00 0.00 57.88 57.55 2w94 h LEU 10 Cb 0.26 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 41.68 2w94 h LEU 10 CO 0.05 1.19 0.49 0.00 -1.08 0.00 0.00 178.44 179.09 2w94 h ALA 11 N 0.87 1.48 -0.15 1.53 0.00 -1.91 -1.10 119.26 119.98 2w94 h ALA 11 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2w94 h ALA 11 Cb 0.78 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2w94 h ALA 11 CO 0.06 0.48 0.00 0.09 0.00 0.00 0.00 179.25 179.88 2w94 n ASN 12 N -4.43 2.10 -3.77 0.00 3.02 -0.79 -4.95 115.26 106.44 2w94 n ASN 12 Ca 0.08 -1.74 -0.25 0.00 -0.03 0.00 0.00 54.58 52.64 2w94 n ASN 12 Cb 0.04 -0.09 0.04 0.00 -0.61 0.00 0.00 39.78 39.16 2w94 n ASN 12 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2w94 n ALA 13 N 0.61 -1.63 1.14 5.41 0.00 -0.42 -4.93 120.51 120.70 2w94 n ALA 13 Ca 0.17 0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.79 2w94 n ALA 13 Cb 0.42 -3.43 0.25 0.00 0.00 0.00 0.00 19.45 16.68 2w94 n ALA 13 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2w94 n GLN 14 N -4.52 2.11 -4.21 0.00 1.13 -0.04 -4.92 117.38 106.93 2w94 n GLN 14 Ca -0.12 -1.61 -0.15 0.00 -1.94 0.00 0.00 57.00 53.18 2w94 n GLN 14 Cb 0.60 -1.47 -0.11 0.00 0.11 0.00 0.00 30.24 29.38 2w94 n GLN 14 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2w94 s HIS 16 N -2.76 3.64 -0.16 0.00 2.46 -0.38 -4.84 115.29 113.24 2w94 s HIS 16 Ca 0.10 1.27 0.01 0.00 0.47 0.00 0.00 55.06 56.91 2w94 s HIS 16 Cb -0.01 -2.53 0.00 0.00 -0.13 0.00 0.00 32.58 29.92 2w94 s HIS 16 CO 0.00 0.37 -0.16 -0.51 -2.47 0.00 0.00 174.74 171.97 2w94 s LEU 17 N -1.95 2.39 -0.03 8.88 1.43 -1.26 -0.64 118.68 127.50 2w94 s LEU 17 Ca 0.41 -0.51 0.07 0.00 -1.03 0.00 0.00 54.13 53.06 2w94 s LEU 17 Cb -0.16 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.50 2w94 s LEU 17 CO 0.20 0.07 -0.23 -0.60 0.23 0.00 0.00 176.35 176.02 2w94 s ARG 18 N 0.90 2.27 0.19 1.70 3.52 -0.24 -4.98 118.95 122.32 2w94 s ARG 18 Ca -0.04 -0.88 0.09 0.00 -0.13 0.00 0.00 55.73 54.78 2w94 s ARG 18 Cb -0.15 -2.14 -0.04 0.00 -1.56 0.00 0.00 34.95 31.06 2w94 s ARG 18 CO -0.02 0.54 -0.13 0.95 -0.81 0.00 0.00 175.30 175.84 2w94 s THR 19 N -0.55 3.00 0.08 4.11 -4.23 -1.26 -0.63 115.64 116.16 2w94 s THR 19 Ca 0.08 -1.76 -0.20 0.00 -1.18 0.00 0.00 61.69 58.63 2w94 s THR 19 Cb -0.11 -2.48 -0.09 0.00 1.34 0.00 0.00 72.50 71.16 2w94 s THR 19 CO 0.00 -0.12 1.56 0.77 -0.54 0.00 0.00 174.62 176.29 2w94 h SER 20 N 2.93 0.33 -5.03 3.99 4.64 -1.65 -3.47 113.55 115.29 2w94 h SER 20 Ca -0.46 -0.24 -0.06 0.00 -0.47 0.00 0.00 61.79 60.55 2w94 h SER 20 Cb 1.21 -0.09 -0.15 0.00 -0.31 0.00 0.00 62.40 63.06 2w94 h SER 20 CO 0.53 0.49 0.01 0.42 -0.87 0.00 0.00 176.83 177.41 2w94 s THR 21 N -5.23 0.04 -0.07 2.95 -4.23 -1.26 -5.03 115.64 102.81 2w94 s THR 21 Ca -0.14 -0.31 0.04 0.00 -1.18 0.00 0.00 61.69 60.10 2w94 s THR 21 Cb 0.07 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.91 2w94 s THR 21 CO 0.72 -0.17 -0.19 0.20 -0.54 0.00 0.00 174.62 174.64 2w94 s ASN 22 N -2.17 2.51 0.19 3.99 0.01 -1.26 -3.91 114.94 114.30 2w94 s ASN 22 Ca -0.03 -0.43 -0.19 0.00 -0.71 0.00 0.00 52.86 51.50 2w94 s ASN 22 Cb -0.00 -0.97 0.15 0.00 0.41 0.00 0.00 41.25 40.83 2w94 s ASN 22 CO -0.04 0.14 1.60 0.22 -1.51 0.00 0.00 177.10 177.51 2w94 h TYR 23 N 6.57 -0.70 -1.76 2.20 3.20 -0.75 -3.37 116.97 122.36 2w94 h TYR 23 Ca -0.27 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.66 2w94 h TYR 23 Cb 1.20 0.39 0.00 0.00 1.54 0.00 0.00 36.73 39.86 2w94 h TYR 23 CO 0.46 -0.34 0.00 0.27 -1.64 0.00 0.00 178.16 176.91 2w94 n ASN 24 N -5.43 0.00 0.00 -2.11 6.94 -1.26 -4.82 115.26 108.58 2w94 n ASN 24 Ca 0.05 -0.76 0.10 0.00 -0.02 0.00 0.00 54.58 53.95 2w94 n ASN 24 Cb 0.34 0.00 0.55 0.00 -2.36 0.00 0.00 39.78 38.31 2w94 n ASN 24 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2w94 n GLY 25 N 0.00 -0.93 0.35 4.83 0.00 -1.26 -1.90 105.19 106.28 2w94 n GLY 25 Ca 0.00 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.01 2w94 n GLY 25 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2w94 n VAL 26 N -1.24 2.02 -1.83 1.61 0.24 -1.26 -4.55 118.33 113.32 2w94 n VAL 26 Ca 0.11 -2.12 0.06 0.00 -2.04 0.00 0.00 64.34 60.34 2w94 n VAL 26 Cb 0.15 -0.24 0.14 0.00 -1.47 0.00 0.00 33.84 32.43 2w94 n VAL 26 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2w94 n HIS 27 N -1.11 0.00 -2.52 6.34 8.25 -0.80 -2.26 115.22 123.12 2w94 n HIS 27 Ca 0.18 -1.11 -0.19 0.00 -0.26 0.00 0.00 57.72 56.34 2w94 n HIS 27 Cb 0.72 -0.20 0.10 0.00 1.12 0.00 0.00 29.99 31.73 2w94 n HIS 27 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2w94 n THR 28 N -0.64 0.00 0.08 1.59 -2.24 -1.25 -1.20 114.28 110.61 2w94 n THR 28 Ca 0.14 -1.25 0.05 0.00 -2.27 0.00 0.00 64.05 60.72 2w94 n THR 28 Cb 0.82 -1.01 0.25 0.00 -2.10 0.00 0.00 70.33 68.29 2w94 n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2w94 n GLN 29 N -2.50 0.06 0.20 -0.78 0.00 -1.26 -0.85 117.38 112.25 2w94 n GLN 29 Ca 0.13 0.55 0.15 0.00 0.00 0.00 0.00 57.00 57.83 2w94 n GLN 29 Cb 0.47 -1.69 0.69 0.00 0.00 0.00 0.00 30.24 29.71 2w94 n GLN 29 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.06 177.80 2w94 h PHE 30 N 0.00 0.00 -0.36 2.61 0.04 -1.95 -2.74 116.94 114.54 2w94 h PHE 30 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2w94 h PHE 30 Cb 0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.16 2w94 h PHE 30 CO 0.00 0.00 0.00 0.09 -0.60 0.00 0.00 178.31 177.80 2w94 n ASN 31 N -2.54 3.51 0.02 2.17 4.13 -0.03 -4.71 115.26 117.82 2w94 n ASN 31 Ca -0.00 -2.42 0.12 0.00 1.68 0.00 0.00 54.58 53.96 2w94 n ASN 31 Cb 0.15 -0.39 0.17 0.00 -1.54 0.00 0.00 39.78 38.17 2w94 n ASN 31 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2w94 n SER 32 N 0.24 0.59 -4.77 6.41 3.41 -1.03 -2.72 113.62 115.75 2w94 n SER 32 Ca 0.17 -0.20 -0.41 0.00 -0.26 0.00 0.00 58.87 58.18 2w94 n SER 32 Cb 0.65 0.37 -0.01 0.00 -0.26 0.00 0.00 64.21 64.96 2w94 n SER 32 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2w94 s ALA 33 N -3.07 3.54 0.13 7.33 0.00 -1.26 -0.88 121.76 127.54 2w94 s ALA 33 Ca 0.08 1.40 -0.34 0.00 0.00 0.00 0.00 51.96 53.11 2w94 s ALA 33 Cb 0.16 -3.54 -0.17 0.00 0.00 0.00 0.00 23.12 19.57 2w94 s ALA 33 CO 0.73 -0.83 1.09 -0.11 0.00 0.00 0.00 175.76 176.64 2w94 n LEU 34 N 0.69 0.88 -1.03 0.00 7.94 -0.57 -0.89 117.00 124.03 2w94 n LEU 34 Ca 0.01 1.14 -0.13 0.00 -1.11 0.00 0.00 56.01 55.91 2w94 n LEU 34 Cb 0.41 -1.12 -0.06 0.00 0.53 0.00 0.00 43.42 43.18 2w94 n LEU 34 CO 0.61 -1.60 -0.13 0.59 -1.11 0.00 0.00 177.39 175.76 2w94 n ASN 35 N 1.97 -5.26 -4.71 1.96 3.02 -1.26 -4.96 115.26 106.02 2w94 n ASN 35 Ca 0.17 0.33 -0.43 0.00 -0.03 0.00 0.00 54.58 54.62 2w94 n ASN 35 Cb 0.20 -3.94 -0.02 0.00 -0.61 0.00 0.00 39.78 35.41 2w94 n ASN 35 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2w94 n TYR 36 N -2.40 2.51 -3.92 3.10 4.19 -0.07 -5.00 117.16 115.57 2w94 n TYR 36 Ca -0.13 0.32 -0.10 0.00 3.31 0.00 0.00 57.90 61.29 2w94 n TYR 36 Cb 0.55 -2.54 -0.12 0.00 0.49 0.00 0.00 39.34 37.72 2w94 n TYR 36 CO 0.00 0.00 0.00 0.15 0.91 0.00 0.00 176.86 177.92 2w94 s LYS 37 N -0.27 0.19 0.00 2.98 1.02 -1.26 -4.84 119.74 117.56 2w94 s LYS 37 Ca 0.67 -0.31 0.00 0.00 0.02 0.00 0.00 55.97 56.35 2w94 s LYS 37 Cb -0.57 0.07 0.00 0.00 -0.52 0.00 0.00 37.83 36.80 2w94 s LYS 37 CO 0.47 -0.03 0.00 0.27 -0.92 0.00 0.00 175.35 175.14 2w94 n ASN 38 N 2.26 1.19 -4.59 2.83 0.23 -1.26 -5.07 115.26 110.85 2w94 n ASN 38 Ca -0.19 -0.16 -0.43 0.00 -0.53 0.00 0.00 54.58 53.28 2w94 n ASN 38 Cb 0.57 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.25 2w94 n ASN 38 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 2w94 s ASN 39 N 0.69 6.58 0.00 0.53 3.84 -1.26 -4.85 114.94 120.46 2w94 s ASN 39 Ca 0.00 0.32 0.29 0.00 0.21 0.00 0.00 52.86 53.68 2w94 s ASN 39 Cb 0.00 -2.52 1.18 0.00 -0.55 0.00 0.00 41.25 39.36 2w94 s ASN 39 CO 0.00 -1.22 1.84 0.61 -2.79 0.00 0.00 177.10 175.55 2w94 n GLY 40 N 4.90 -1.07 0.10 1.21 0.00 -1.26 -3.23 105.19 105.84 2w94 n GLY 40 Ca 0.10 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 45.99 2w94 n GLY 40 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2w94 n THR 41 N -1.10 0.53 -4.67 2.61 -2.24 -1.26 -4.88 114.28 103.26 2w94 n THR 41 Ca 0.13 -0.52 -0.33 0.00 -2.27 0.00 0.00 64.05 61.05 2w94 n THR 41 Cb 0.29 -0.27 -0.15 0.00 -2.10 0.00 0.00 70.33 68.09 2w94 n THR 41 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2w94 s ASN 42 N -5.18 3.74 0.44 3.42 3.04 -1.20 -5.01 114.94 114.20 2w94 s ASN 42 Ca -0.01 -0.43 0.24 0.00 0.04 0.00 0.00 52.86 52.71 2w94 s ASN 42 Cb 0.10 -1.57 0.60 0.00 -1.54 0.00 0.00 41.25 38.85 2w94 s ASN 42 CO 0.80 0.12 1.70 0.71 -3.04 0.00 0.00 177.10 177.39 2w94 h THR 43 N 5.58 0.18 0.00 -5.21 1.35 -1.90 -3.37 112.91 109.55 2w94 h THR 43 Ca -0.29 -1.07 0.00 0.00 -0.55 0.00 0.00 66.41 64.50 2w94 h THR 43 Cb 1.20 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 69.54 2w94 h THR 43 CO 0.55 0.09 0.00 0.16 -0.25 0.00 0.00 175.52 176.08 2w94 h ILE 44 N 0.00 0.00 -0.18 6.82 3.07 -1.95 -2.51 117.51 122.77 2w94 h ILE 44 Ca -0.00 -0.34 0.00 0.00 1.55 0.00 0.00 64.86 66.07 2w94 h ILE 44 Cb 0.91 1.17 0.00 0.00 -0.27 0.00 0.00 36.82 38.63 2w94 h ILE 44 CO 0.01 0.00 0.00 -0.90 -1.05 0.00 0.00 178.15 176.21 2w94 n ASP 45 N -2.52 2.03 0.00 2.16 5.75 -1.26 -4.93 116.55 117.78 2w94 n ASP 45 Ca 0.02 -1.75 0.00 0.00 -0.01 0.00 0.00 54.79 53.05 2w94 n ASP 45 Cb 0.26 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 2w94 n ASP 45 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2w94 n GLY 46 N 1.21 -0.06 3.91 6.12 0.00 -0.95 -4.86 105.19 110.57 2w94 n GLY 46 Ca 0.17 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.87 2w94 n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2w94 s SER 47 N -4.00 6.43 -1.27 1.61 1.04 -0.96 -4.98 113.70 111.56 2w94 s SER 47 Ca 0.00 0.52 -0.08 0.00 0.48 0.00 0.00 55.95 56.87 2w94 s SER 47 Cb 0.00 -2.06 0.17 0.00 0.10 0.00 0.00 66.02 64.23 2w94 s SER 47 CO 0.00 -0.05 1.99 -0.62 0.98 0.00 0.00 173.24 175.54 2w94 n GLU 48 N -0.53 4.01 0.00 4.02 1.02 -1.26 -4.83 120.64 123.07 2w94 n GLU 48 Ca -0.03 -3.61 0.00 0.00 -0.02 0.00 0.00 57.16 53.49 2w94 n GLU 48 Cb 0.53 -2.80 0.00 0.00 -0.02 0.00 0.00 31.44 29.16 2w94 n GLU 48 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2w94 n ALA 49 N 2.96 0.00 -2.31 0.62 0.00 -1.10 -1.64 120.51 119.04 2w94 n ALA 49 Ca 0.45 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.48 2w94 n ALA 49 Cb 0.32 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.74 2w94 n ALA 49 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 2w94 s TRP 50 N -2.00 3.55 -0.05 0.00 -0.00 -0.57 -4.49 118.94 115.38 2w94 s TRP 50 Ca 0.00 1.50 0.03 0.00 -0.00 0.00 0.00 56.10 57.63 2w94 s TRP 50 Cb 0.00 -3.30 0.01 0.00 -0.00 0.00 0.00 33.47 30.17 2w94 s TRP 50 CO 0.00 -0.76 -0.13 0.00 -0.00 0.00 0.00 176.95 176.06 2w94 s SER 52 N 0.37 4.84 -0.22 0.00 1.04 -0.71 -0.40 113.70 118.62 2w94 s SER 52 Ca -0.09 1.39 -0.18 0.00 0.48 0.00 0.00 55.95 57.55 2w94 s SER 52 Cb -0.13 -2.18 -0.18 0.00 0.10 0.00 0.00 66.02 63.63 2w94 s SER 52 CO 0.02 -1.76 0.09 -0.24 0.98 0.00 0.00 173.24 172.33 2w94 n SER 53 N -3.31 1.90 -4.71 7.02 2.88 -1.25 -3.47 113.62 112.69 2w94 n SER 53 Ca 0.07 0.38 -0.40 0.00 -1.33 0.00 0.00 58.87 57.58 2w94 n SER 53 Cb 0.55 -0.92 -0.04 0.00 -0.75 0.00 0.00 64.21 63.06 2w94 n SER 53 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2w94 s ILE 54 N -2.41 4.99 -0.71 2.46 1.01 -1.26 -4.93 121.20 120.34 2w94 s ILE 54 Ca -0.31 1.64 -0.12 0.00 0.00 0.00 0.00 60.65 61.87 2w94 s ILE 54 Cb 0.08 -4.13 0.19 0.00 0.01 0.00 0.00 42.46 38.61 2w94 s ILE 54 CO 0.58 0.22 0.63 -0.69 0.00 0.00 0.00 174.94 175.68 2w94 s VAL 55 N 0.87 5.05 0.15 2.92 1.01 -1.26 -4.88 120.40 124.26 2w94 s VAL 55 Ca 0.42 -2.37 -0.04 0.00 0.00 0.00 0.00 61.98 59.99 2w94 s VAL 55 Cb -0.19 -4.18 0.02 0.00 0.00 0.00 0.00 36.38 32.03 2w94 s VAL 55 CO 0.21 -0.95 0.28 -0.90 0.00 0.00 0.00 175.10 173.73 2w94 n ASP 56 N 4.14 -0.79 -0.36 3.32 5.68 -1.26 -5.04 116.55 122.23 2w94 n ASP 56 Ca 0.07 -1.67 0.11 0.00 -0.50 0.00 0.00 54.79 52.79 2w94 n ASP 56 Cb 0.44 1.36 0.47 0.00 -1.14 0.00 0.00 41.12 42.25 2w94 n ASP 56 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2w94 n THR 57 N -0.22 0.12 -0.32 2.12 -2.24 -1.26 -3.87 114.28 108.61 2w94 n THR 57 Ca -0.02 -0.22 0.08 0.00 -2.27 0.00 0.00 64.05 61.62 2w94 n THR 57 Cb 0.23 0.16 0.32 0.00 -2.10 0.00 0.00 70.33 68.94 2w94 n THR 57 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2w94 n ASN 58 N -0.08 4.20 -4.94 3.42 3.02 -1.26 -4.84 115.26 114.78 2w94 n ASN 58 Ca 0.16 -2.36 -0.24 0.00 -0.03 0.00 0.00 54.58 52.11 2w94 n ASN 58 Cb 0.25 -0.53 -0.00 0.00 -0.61 0.00 0.00 39.78 38.88 2w94 n ASN 58 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2w94 s GLN 59 N -1.75 3.38 -0.10 3.52 -1.52 -1.25 -4.99 119.66 116.94 2w94 s GLN 59 Ca 0.45 -0.24 -0.30 0.00 -1.95 0.00 0.00 55.36 53.31 2w94 s GLN 59 Cb 0.29 -2.56 0.12 0.00 -0.22 0.00 0.00 33.01 30.63 2w94 s GLN 59 CO 0.23 -0.06 1.00 1.52 -0.25 0.00 0.00 175.29 177.73 2w94 s TYR 60 N -2.49 -0.31 -0.09 0.91 -0.85 -1.26 -3.87 117.35 109.39 2w94 s TYR 60 Ca 0.44 0.34 0.04 0.00 -0.52 0.00 0.00 57.07 57.36 2w94 s TYR 60 Cb -0.10 0.50 0.00 0.00 0.38 0.00 0.00 41.96 42.74 2w94 s TYR 60 CO 0.39 -0.39 -0.22 -1.50 -1.52 0.00 0.00 175.55 172.30 2w94 s ILE 61 N -2.20 1.90 -0.11 -3.49 2.07 -0.79 -1.50 121.20 117.08 2w94 s ILE 61 Ca 0.03 -0.93 0.02 0.00 -1.41 0.00 0.00 60.65 58.36 2w94 s ILE 61 Cb -0.01 -1.65 -0.01 0.00 0.13 0.00 0.00 42.46 40.92 2w94 s ILE 61 CO -0.04 0.53 -0.19 -0.69 -1.91 0.00 0.00 174.94 172.64 2w94 s VAL 62 N 0.35 2.55 -0.17 4.00 1.01 0.20 -1.21 120.40 127.11 2w94 s VAL 62 Ca -0.17 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 60.93 2w94 s VAL 62 Cb -0.17 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 2w94 s VAL 62 CO 0.08 0.54 -0.03 0.00 0.00 0.00 0.00 175.10 175.69 2w94 s ALA 63 N 0.32 2.97 -0.19 5.51 0.00 -0.37 -1.08 121.76 128.93 2w94 s ALA 63 Ca -0.15 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 50.91 2w94 s ALA 63 Cb -0.17 -1.62 0.02 0.00 0.00 0.00 0.00 23.12 21.35 2w94 s ALA 63 CO 0.07 0.05 -0.17 0.20 0.00 0.00 0.00 175.76 175.90 2w94 s GLY 64 N 0.66 1.43 -0.10 0.00 0.00 0.19 -1.62 107.32 107.88 2w94 s GLY 64 Ca -0.02 -1.25 -0.00 0.00 0.00 0.00 0.00 44.72 43.45 2w94 s GLY 64 CO 0.02 0.32 -0.09 0.00 0.00 0.00 0.00 173.10 173.35 2w94 h GLU 66 N 6.05 0.00 -5.33 0.00 5.08 -1.88 -3.41 114.58 115.09 2w94 h GLU 66 Ca -0.37 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.39 2w94 h GLU 66 Cb 1.19 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.32 2w94 h GLU 66 CO 0.56 0.82 -0.39 0.08 -1.00 0.00 0.00 179.01 179.08 2w94 s VAL 67 N -2.99 5.33 0.53 3.13 1.01 -1.26 -5.04 120.40 121.12 2w94 s VAL 67 Ca 0.01 0.39 -0.22 0.00 0.00 0.00 0.00 61.98 62.16 2w94 s VAL 67 Cb 0.10 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 2w94 s VAL 67 CO 0.79 0.37 1.35 -2.84 0.00 0.00 0.00 175.10 174.77 2w94 s PRO 68 N 0.72 3.22 0.14 2.72 0.02 -1.26 -4.83 135.00 135.73 2w94 s PRO 68 Ca 0.13 2.23 0.05 0.00 0.02 0.00 0.00 61.00 63.42 2w94 s PRO 68 Cb -0.13 -2.30 -0.04 0.00 0.02 0.00 0.00 34.50 32.05 2w94 s PRO 68 CO 0.03 -1.13 -0.10 1.03 -0.33 0.00 0.00 177.00 176.50 2w94 s ARG 69 N -2.86 1.05 -0.45 5.54 1.81 -0.18 -4.97 118.95 118.89 2w94 s ARG 69 Ca 0.70 -1.43 -0.14 0.00 -1.72 0.00 0.00 55.73 53.14 2w94 s ARG 69 Cb -0.40 -0.64 0.07 0.00 -0.45 0.00 0.00 34.95 33.53 2w94 s ARG 69 CO 0.48 0.08 0.36 0.99 -0.68 0.00 0.00 175.30 176.53 2w94 s THR 70 N -3.22 5.06 -0.18 0.02 2.01 -1.26 -1.67 115.64 116.40 2w94 s THR 70 Ca 0.16 -1.06 -0.25 0.00 0.31 0.00 0.00 61.69 60.84 2w94 s THR 70 Cb 0.02 -4.00 -0.01 0.00 0.01 0.00 0.00 72.50 68.52 2w94 s THR 70 CO 0.01 -0.52 0.83 -0.36 -0.69 0.00 0.00 174.62 173.89 2w94 s PHE 71 N 1.61 3.40 -0.20 4.92 0.40 0.88 -1.55 117.98 127.44 2w94 s PHE 71 Ca 0.04 1.24 -0.01 0.00 -0.60 0.00 0.00 56.93 57.59 2w94 s PHE 71 Cb -0.23 -3.02 -0.21 0.00 0.51 0.00 0.00 43.02 40.06 2w94 s PHE 71 CO 0.06 -0.27 0.02 -1.33 0.70 0.00 0.00 175.22 174.40 2w94 n MET 72 N 5.38 0.70 -3.68 0.44 2.81 -0.31 -1.31 117.12 121.16 2w94 n MET 72 Ca 0.05 0.19 -0.15 0.00 -1.81 0.00 0.00 57.70 55.99 2w94 n MET 72 Cb 0.48 -1.60 -0.08 0.00 -0.71 0.00 0.00 33.22 31.32 2w94 n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2w94 s VAL 74 N -0.97 1.58 -0.08 0.00 0.11 -0.14 -1.51 120.40 119.39 2w94 s VAL 74 Ca -0.10 -0.79 0.02 0.00 -2.93 0.00 0.00 61.98 58.18 2w94 s VAL 74 Cb -0.03 -1.36 -0.02 0.00 -1.53 0.00 0.00 36.38 33.44 2w94 s VAL 74 CO 0.05 0.45 -0.13 0.00 -3.33 0.00 0.00 175.10 172.14 2w94 s ALA 75 N 0.09 2.68 0.06 1.54 0.00 -0.07 -0.36 121.76 125.69 2w94 s ALA 75 Ca -0.06 -0.93 0.09 0.00 0.00 0.00 0.00 51.96 51.06 2w94 s ALA 75 Cb -0.13 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 21.87 2w94 s ALA 75 CO 0.03 0.43 -0.25 -1.17 0.00 0.00 0.00 175.76 174.80 2w94 s LEU 76 N -0.30 2.19 -0.01 0.00 2.96 -0.81 -2.11 118.68 120.61 2w94 s LEU 76 Ca 0.02 -0.61 -0.08 0.00 -0.22 0.00 0.00 54.13 53.25 2w94 s LEU 76 Cb -0.13 -1.21 0.01 0.00 0.50 0.00 0.00 46.19 45.36 2w94 s LEU 76 CO 0.03 0.22 0.16 -1.58 -1.32 0.00 0.00 176.35 173.86 2w94 s GLN 77 N -1.37 0.45 0.55 1.98 0.74 -0.40 -1.29 119.66 120.34 2w94 s GLN 77 Ca 0.11 -0.27 -0.09 0.00 0.05 0.00 0.00 55.36 55.17 2w94 s GLN 77 Cb -0.10 0.19 0.13 0.00 1.10 0.00 0.00 33.01 34.33 2w94 s GLN 77 CO 0.03 -0.11 0.76 0.41 -0.55 0.00 0.00 175.29 175.83 2w94 n GLY 78 N 1.70 -1.10 3.71 2.59 0.00 -0.90 -1.10 105.19 110.09 2w94 n GLY 78 Ca -0.21 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 2w94 n GLY 78 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2w94 s ARG 79 N -4.61 4.43 0.32 1.61 3.52 -0.11 -4.02 118.95 120.08 2w94 s ARG 79 Ca 0.43 1.76 0.02 0.00 -0.13 0.00 0.00 55.73 57.81 2w94 s ARG 79 Cb -0.01 -3.36 0.53 0.00 -1.56 0.00 0.00 34.95 30.54 2w94 s ARG 79 CO 0.30 -0.27 1.89 0.78 -0.81 0.00 0.00 175.30 177.19 2w94 h GLY 80 N 6.90 0.77 -1.05 8.12 0.00 -1.51 -3.33 103.07 112.96 2w94 h GLY 80 Ca -0.41 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.51 2w94 h GLY 80 CO 0.81 0.38 0.00 2.09 0.00 0.00 0.00 176.54 179.83 2w94 n ASP 81 N -4.32 2.17 -3.56 0.19 5.75 -1.26 -4.96 116.55 110.56 2w94 n ASP 81 Ca 0.03 -1.58 -0.16 0.00 -0.01 0.00 0.00 54.79 53.07 2w94 n ASP 81 Cb 0.19 -0.04 -0.06 0.00 -1.03 0.00 0.00 41.12 40.18 2w94 n ASP 81 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2w94 s ALA 82 N -1.02 -1.52 -0.98 2.12 0.00 -1.25 -5.05 121.76 114.06 2w94 s ALA 82 Ca 0.16 0.98 -0.13 0.00 0.00 0.00 0.00 51.96 52.97 2w94 s ALA 82 Cb 0.11 0.14 -0.09 0.00 0.00 0.00 0.00 23.12 23.28 2w94 s ALA 82 CO 0.16 -0.40 2.12 -0.25 0.00 0.00 0.00 175.76 177.38 2w94 n ASP 83 N 0.79 4.17 -4.00 0.00 8.00 -1.26 -4.48 116.55 119.78 2w94 n ASP 83 Ca -0.19 -2.54 -0.23 0.00 0.71 0.00 0.00 54.79 52.54 2w94 n ASP 83 Cb 0.58 -1.20 -0.16 0.00 -0.02 0.00 0.00 41.12 40.31 2w94 n ASP 83 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2w94 s GLN 84 N 3.91 1.33 0.14 -1.24 -0.21 -1.26 -4.48 119.66 117.85 2w94 s GLN 84 Ca 0.50 -0.33 -0.24 0.00 0.02 0.00 0.00 55.36 55.31 2w94 s GLN 84 Cb 0.13 -1.16 0.07 0.00 1.00 0.00 0.00 33.01 33.05 2w94 s GLN 84 CO 0.02 0.04 0.63 1.67 -2.12 0.00 0.00 175.29 175.53 2w94 s TRP 85 N 0.55 -0.53 -0.25 0.91 -2.14 -0.81 -0.94 118.94 115.74 2w94 s TRP 85 Ca -0.10 0.35 -0.13 0.00 2.66 0.00 0.00 56.10 58.88 2w94 s TRP 85 Cb -0.13 0.55 -0.04 0.00 -3.10 0.00 0.00 33.47 30.74 2w94 s TRP 85 CO 0.02 -0.81 0.30 0.08 -2.66 0.00 0.00 176.95 173.88 2w94 s VAL 86 N -3.58 5.25 -0.13 -0.66 1.01 -1.24 -0.66 120.40 120.38 2w94 s VAL 86 Ca 0.01 0.44 0.19 0.00 0.00 0.00 0.00 61.98 62.63 2w94 s VAL 86 Cb -0.01 -3.63 -0.18 0.00 0.00 0.00 0.00 36.38 32.56 2w94 s VAL 86 CO -0.12 0.25 0.66 0.35 0.00 0.00 0.00 175.10 176.24 2w94 n THR 87 N 4.69 0.82 -3.66 3.92 -2.24 -0.36 -1.32 114.28 116.13 2w94 n THR 87 Ca -0.11 -0.64 -0.13 0.00 -2.27 0.00 0.00 64.05 60.89 2w94 n THR 87 Cb 0.51 -0.44 -0.06 0.00 -2.10 0.00 0.00 70.33 68.24 2w94 n THR 87 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2w94 s SER 88 N -5.34 -0.32 0.19 3.42 1.04 -1.17 -0.83 113.70 110.69 2w94 s SER 88 Ca -0.05 0.08 -0.15 0.00 0.48 0.00 0.00 55.95 56.31 2w94 s SER 88 Cb 0.10 0.43 0.02 0.00 0.10 0.00 0.00 66.02 66.66 2w94 s SER 88 CO 0.83 -0.64 0.45 -0.72 0.98 0.00 0.00 173.24 174.14 2w94 s TYR 89 N -2.24 0.04 0.23 5.02 1.13 -0.21 -0.90 117.35 120.42 2w94 s TYR 89 Ca -0.07 -0.40 0.10 0.00 -1.41 0.00 0.00 57.07 55.29 2w94 s TYR 89 Cb -0.01 0.25 -0.04 0.00 -1.10 0.00 0.00 41.96 41.06 2w94 s TYR 89 CO -0.01 -0.86 -0.09 -1.59 -2.51 0.00 0.00 175.55 170.50 2w94 s LYS 90 N -3.90 2.04 -0.06 -3.49 -2.85 0.14 0.57 119.74 112.19 2w94 s LYS 90 Ca 0.12 -1.42 0.05 0.00 -1.00 0.00 0.00 55.97 53.71 2w94 s LYS 90 Cb 0.00 -2.07 -0.02 0.00 -2.06 0.00 0.00 37.83 33.69 2w94 s LYS 90 CO -0.02 0.39 -0.20 0.42 0.10 0.00 0.00 175.35 176.04 2w94 s ILE 91 N -2.06 2.49 0.09 3.79 -1.09 -1.26 -0.94 121.20 122.22 2w94 s ILE 91 Ca 0.28 -0.91 0.04 0.00 -2.23 0.00 0.00 60.65 57.82 2w94 s ILE 91 Cb -0.07 -1.94 -0.03 0.00 -1.58 0.00 0.00 42.46 38.83 2w94 s ILE 91 CO 0.16 0.57 -0.11 -0.13 -1.23 0.00 0.00 174.94 174.20 2w94 s ARG 92 N -0.29 0.82 0.24 2.79 0.52 -0.81 -0.87 118.95 121.35 2w94 s ARG 92 Ca 0.01 -1.06 -0.17 0.00 -0.52 0.00 0.00 55.73 53.99 2w94 s ARG 92 Cb -0.13 -0.62 0.01 0.00 0.52 0.00 0.00 34.95 34.74 2w94 s ARG 92 CO 0.03 0.11 0.58 1.52 0.02 0.00 0.00 175.30 177.56 2w94 s TYR 93 N -1.95 0.01 -0.14 -0.53 -0.85 -0.49 0.06 117.35 113.46 2w94 s TYR 93 Ca 0.02 -0.40 -0.12 0.00 -0.52 0.00 0.00 57.07 56.05 2w94 s TYR 93 Cb -0.06 0.44 0.04 0.00 0.38 0.00 0.00 41.96 42.76 2w94 s TYR 93 CO 0.01 -1.06 0.36 0.45 -1.52 0.00 0.00 175.55 173.79 2w94 s SER 94 N -2.94 -0.39 -0.19 -0.18 0.15 -0.17 -0.58 113.70 109.41 2w94 s SER 94 Ca 0.14 0.73 -0.16 0.00 0.70 0.00 0.00 55.95 57.37 2w94 s SER 94 Cb -0.03 0.72 -0.21 0.00 -1.71 0.00 0.00 66.02 64.80 2w94 s SER 94 CO 0.05 -0.13 0.21 -0.11 1.20 0.00 0.00 173.24 174.46 2w94 n LEU 95 N 3.09 2.15 -0.14 3.45 7.94 -1.26 -0.46 117.00 131.76 2w94 n LEU 95 Ca -0.15 0.33 0.12 0.00 -1.11 0.00 0.00 56.01 55.21 2w94 n LEU 95 Cb 0.57 -1.01 0.31 0.00 0.53 0.00 0.00 43.42 43.83 2w94 n LEU 95 CO 0.14 0.50 0.56 -0.90 -1.11 0.00 0.00 177.39 176.58 2w94 n ASP 96 N -4.08 0.82 -1.30 1.96 5.68 -1.26 -4.12 116.55 114.25 2w94 n ASP 96 Ca -0.34 -0.64 -0.16 0.00 -0.50 0.00 0.00 54.79 53.15 2w94 n ASP 96 Cb 0.82 0.20 -0.07 0.00 -1.14 0.00 0.00 41.12 40.94 2w94 n ASP 96 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2w94 n ASN 97 N -1.00 -4.96 -0.02 -1.12 5.03 -1.26 -4.82 115.26 107.10 2w94 n ASN 97 Ca 0.09 0.38 -0.05 0.00 0.87 0.00 0.00 54.58 55.87 2w94 n ASN 97 Cb 0.34 -3.91 -0.02 0.00 -1.02 0.00 0.00 39.78 35.17 2w94 n ASN 97 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 2w94 n VAL 98 N -2.63 0.52 -4.03 2.41 0.31 -1.26 -5.03 118.33 108.62 2w94 n VAL 98 Ca -0.17 0.02 -0.36 0.00 -0.01 0.00 0.00 64.34 63.82 2w94 n VAL 98 Cb 0.54 -1.61 -0.08 0.00 -0.91 0.00 0.00 33.84 31.78 2w94 n VAL 98 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2w94 s SER 99 N -5.61 5.90 0.11 4.52 0.01 -1.26 -5.12 113.70 112.25 2w94 s SER 99 Ca -0.07 0.28 0.08 0.00 1.31 0.00 0.00 55.95 57.55 2w94 s SER 99 Cb 0.03 -1.88 -0.04 0.00 0.21 0.00 0.00 66.02 64.33 2w94 s SER 99 CO 0.10 0.34 -0.15 0.26 0.41 0.00 0.00 173.24 174.19 2w94 s TRP 100 N -0.60 2.61 0.10 2.43 0.52 -1.26 -4.39 118.94 118.35 2w94 s TRP 100 Ca 0.11 -0.22 0.06 0.00 0.02 0.00 0.00 56.10 56.07 2w94 s TRP 100 Cb -0.12 -1.38 -0.03 0.00 -1.15 0.00 0.00 33.47 30.79 2w94 s TRP 100 CO 0.02 0.40 -0.15 -0.06 0.02 0.00 0.00 176.95 177.19 2w94 s PHE 101 N -1.17 1.35 -0.26 -1.98 0.40 0.25 -4.96 117.98 111.61 2w94 s PHE 101 Ca 0.19 -0.50 -0.14 0.00 -0.60 0.00 0.00 56.93 55.88 2w94 s PHE 101 Cb -0.11 -0.73 -0.04 0.00 0.51 0.00 0.00 43.02 42.65 2w94 s PHE 101 CO 0.11 0.11 0.32 -1.21 0.70 0.00 0.00 175.22 175.26 2w94 s GLU 102 N -2.17 4.04 0.27 0.44 2.02 -1.26 -1.40 118.70 120.63 2w94 s GLU 102 Ca 0.04 -0.03 -0.30 0.00 0.02 0.00 0.00 54.97 54.70 2w94 s GLU 102 Cb -0.08 -3.63 -0.13 0.00 0.10 0.00 0.00 34.13 30.40 2w94 s GLU 102 CO 0.03 -0.19 1.40 0.98 0.02 0.00 0.00 175.26 177.50 2w94 n TYR 103 N 5.04 2.30 -2.49 1.61 -0.00 -0.05 -1.96 117.16 121.61 2w94 n TYR 103 Ca -0.10 0.44 -0.16 0.00 -0.00 0.00 0.00 57.90 58.07 2w94 n TYR 103 Cb 0.51 -2.47 -0.01 0.00 -0.00 0.00 0.00 39.34 37.38 2w94 n TYR 103 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 2w94 n ARG 104 N 1.65 -2.21 -1.97 2.98 1.74 -1.26 -0.68 116.66 116.92 2w94 n ARG 104 Ca 0.09 0.76 -0.13 0.00 -0.77 0.00 0.00 57.85 57.80 2w94 n ARG 104 Cb 0.33 -5.40 -0.03 0.00 -1.02 0.00 0.00 32.46 26.34 2w94 n ARG 104 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2w94 n ASN 105 N -1.94 -3.89 0.00 0.55 3.02 -0.83 -2.01 115.26 110.16 2w94 n ASN 105 Ca -0.18 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 2w94 n ASN 105 Cb 0.64 -3.43 0.00 0.00 -0.61 0.00 0.00 39.78 36.38 2w94 n ASN 105 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2w94 n GLY 106 N -0.57 0.76 3.74 7.41 0.00 0.15 -4.98 105.19 111.70 2w94 n GLY 106 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 2w94 n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w94 s ALA 107 N -2.15 2.30 0.42 4.61 0.00 -0.85 -4.88 121.76 121.21 2w94 s ALA 107 Ca 0.00 0.75 -0.23 0.00 0.00 0.00 0.00 51.96 52.48 2w94 s ALA 107 Cb 0.00 -3.40 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 2w94 s ALA 107 CO 0.00 -1.55 1.04 0.00 0.00 0.00 0.00 175.76 175.25 2w94 s ALA 108 N -2.10 3.04 -0.03 0.00 0.00 -1.26 -4.69 121.76 116.71 2w94 s ALA 108 Ca 0.71 0.66 0.03 0.00 0.00 0.00 0.00 51.96 53.36 2w94 s ALA 108 Cb -0.25 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 2w94 s ALA 108 CO 0.42 -0.20 -0.09 0.08 0.00 0.00 0.00 175.76 175.97 2w94 s VAL 109 N -1.76 3.47 0.02 0.00 1.01 0.19 -4.93 120.40 118.40 2w94 s VAL 109 Ca 0.60 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.60 2w94 s VAL 109 Cb -0.20 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 2w94 s VAL 109 CO 0.25 0.51 1.25 -0.89 0.00 0.00 0.00 175.10 176.23 2w94 s THR 110 N -0.86 3.98 0.00 3.92 2.01 -1.26 -1.04 115.64 122.39 2w94 s THR 110 Ca 0.14 1.38 0.00 0.00 0.31 0.00 0.00 61.69 63.52 2w94 s THR 110 Cb -0.11 -3.89 0.00 0.00 0.01 0.00 0.00 72.50 68.51 2w94 s THR 110 CO 0.03 0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.63 2w94 n GLY 111 N 3.37 1.73 3.85 4.40 0.00 -0.01 -4.90 105.19 113.64 2w94 n GLY 111 Ca 0.11 -1.70 -0.22 0.00 0.00 0.00 0.00 46.02 44.21 2w94 n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2w94 s VAL 112 N 3.93 2.45 0.00 1.61 -7.23 -0.44 -4.84 120.40 115.89 2w94 s VAL 112 Ca 0.00 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 2w94 s VAL 112 Cb 0.00 -2.89 0.00 0.00 0.56 0.00 0.00 36.38 34.05 2w94 s VAL 112 CO 0.00 0.00 0.70 0.35 -0.31 0.00 0.00 175.10 175.84 2w94 n THR 113 N -1.52 0.43 -3.44 5.32 -2.24 -1.26 -4.24 114.28 107.34 2w94 n THR 113 Ca 0.02 -0.44 -0.02 0.00 -2.27 0.00 0.00 64.05 61.34 2w94 n THR 113 Cb 0.63 0.82 0.01 0.00 -2.10 0.00 0.00 70.33 69.68 2w94 n THR 113 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2w94 n ASP 114 N -0.21 -0.58 -0.00 3.42 5.68 -1.26 -5.09 116.55 118.50 2w94 n ASP 114 Ca 0.00 -1.35 -0.17 0.00 -0.50 0.00 0.00 54.79 52.77 2w94 n ASP 114 Cb 0.37 0.95 -0.12 0.00 -1.14 0.00 0.00 41.12 41.18 2w94 n ASP 114 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 2w94 h ARG 115 N 0.00 0.28 0.00 0.11 3.08 -1.89 -3.33 114.38 112.63 2w94 h ARG 115 Ca -0.09 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.63 2w94 h ARG 115 Cb 0.36 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2w94 h ARG 115 CO 0.12 1.05 -0.52 0.09 -1.07 0.00 0.00 179.97 179.63 2w94 n ASN 116 N -4.33 1.63 -4.60 7.04 3.02 -1.26 -2.13 115.26 114.63 2w94 n ASN 116 Ca -0.11 -0.37 -0.43 0.00 -0.03 0.00 0.00 54.58 53.65 2w94 n ASN 116 Cb 0.62 1.06 -0.02 0.00 -0.61 0.00 0.00 39.78 40.83 2w94 n ASN 116 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2w94 s THR 117 N -1.66 4.09 0.22 3.41 2.01 -1.26 -4.90 115.64 117.56 2w94 s THR 117 Ca 0.00 1.11 -0.30 0.00 0.31 0.00 0.00 61.69 62.81 2w94 s THR 117 Cb 0.02 -4.48 -0.09 0.00 0.01 0.00 0.00 72.50 67.96 2w94 s THR 117 CO 0.14 -0.95 1.27 -0.69 -0.69 0.00 0.00 174.62 173.70 2w94 s VAL 118 N 4.82 3.21 -0.25 3.82 1.01 -1.26 -4.72 120.40 127.03 2w94 s VAL 118 Ca 0.52 1.05 -0.00 0.00 0.00 0.00 0.00 61.98 63.55 2w94 s VAL 118 Cb -0.09 -3.67 0.04 0.00 0.00 0.00 0.00 36.38 32.66 2w94 s VAL 118 CO 0.32 0.18 -0.09 -0.69 0.00 0.00 0.00 175.10 174.82 2w94 s VAL 119 N -0.22 2.58 0.15 2.92 1.01 -0.41 -4.97 120.40 121.46 2w94 s VAL 119 Ca 0.54 -1.21 -0.27 0.00 0.00 0.00 0.00 61.98 61.04 2w94 s VAL 119 Cb -0.36 -2.35 -0.07 0.00 0.00 0.00 0.00 36.38 33.60 2w94 s VAL 119 CO 0.40 0.16 0.85 0.20 0.00 0.00 0.00 175.10 176.72 2w94 s ASN 120 N 1.25 7.44 -0.23 3.32 0.01 -1.26 -1.92 114.94 123.55 2w94 s ASN 120 Ca -0.02 1.71 0.02 0.00 -0.71 0.00 0.00 52.86 53.86 2w94 s ASN 120 Cb -0.17 -2.54 0.05 0.00 0.41 0.00 0.00 41.25 39.00 2w94 s ASN 120 CO -0.06 0.10 -0.11 -2.28 -1.51 0.00 0.00 177.10 173.24 2w94 s HIS 121 N -0.68 2.79 -0.08 2.20 5.65 0.52 -4.99 115.29 120.70 2w94 s HIS 121 Ca 0.40 -1.92 -0.26 0.00 0.25 0.00 0.00 55.06 53.53 2w94 s HIS 121 Cb -0.23 -1.78 -0.03 0.00 -1.18 0.00 0.00 32.58 29.36 2w94 s HIS 121 CO 0.28 -0.81 0.81 -0.06 -0.65 0.00 0.00 174.74 174.30 2w94 s PHE 122 N 1.27 3.55 0.45 3.88 0.40 -1.26 -0.96 117.98 125.31 2w94 s PHE 122 Ca -0.04 1.36 -0.24 0.00 -0.60 0.00 0.00 56.93 57.41 2w94 s PHE 122 Cb -0.18 -2.94 -0.07 0.00 0.51 0.00 0.00 43.02 40.34 2w94 s PHE 122 CO -0.07 -0.03 1.22 -0.06 0.70 0.00 0.00 175.22 176.98 2w94 s PHE 123 N 1.23 2.83 0.18 0.36 0.40 -0.34 -4.89 117.98 117.75 2w94 s PHE 123 Ca 0.41 1.50 -0.21 0.00 -0.60 0.00 0.00 56.93 58.03 2w94 s PHE 123 Cb -0.18 -3.49 0.11 0.00 0.51 0.00 0.00 43.02 39.97 2w94 s PHE 123 CO 0.19 -1.75 1.59 -0.44 0.70 0.00 0.00 175.22 175.51 2w94 h ASP 124 N 2.20 -1.11 -4.00 1.36 3.45 -1.94 -3.37 116.42 113.01 2w94 h ASP 124 Ca -0.49 0.21 -0.69 0.00 0.43 0.00 0.00 57.03 56.49 2w94 h ASP 124 Cb 1.25 0.55 -0.22 0.00 -0.56 0.00 0.00 39.33 40.34 2w94 h ASP 124 CO 0.61 -0.30 -0.81 -0.89 -1.57 0.00 0.00 179.24 176.27 2w94 s THR 125 N -6.00 2.73 0.47 0.35 2.01 -1.26 -5.12 115.64 108.81 2w94 s THR 125 Ca -0.14 -1.20 -0.23 0.00 0.31 0.00 0.00 61.69 60.42 2w94 s THR 125 Cb 0.15 -2.14 -0.09 0.00 0.01 0.00 0.00 72.50 70.44 2w94 s THR 125 CO 0.69 0.34 1.14 -2.65 -0.69 0.00 0.00 174.62 173.45 2w94 n PRO 126 N 1.58 1.53 -3.69 4.92 -0.02 -1.26 -4.95 135.00 133.10 2w94 n PRO 126 Ca -0.16 0.55 -0.37 0.00 -2.02 0.00 0.00 63.50 61.50 2w94 n PRO 126 Cb 0.52 -2.26 -0.12 0.00 -0.02 0.00 0.00 33.50 31.63 2w94 n PRO 126 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2w94 s ILE 127 N -1.29 4.58 -0.31 4.25 1.01 -0.43 -4.90 121.20 124.11 2w94 s ILE 127 Ca 0.66 -0.18 -0.24 0.00 0.00 0.00 0.00 60.65 60.88 2w94 s ILE 127 Cb -0.50 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 38.77 2w94 s ILE 127 CO 0.55 0.24 0.82 -0.60 0.00 0.00 0.00 174.94 175.95 2w94 s ARG 128 N 1.64 3.97 0.15 2.79 6.06 -1.26 -0.08 118.95 132.21 2w94 s ARG 128 Ca 0.06 0.64 -0.18 0.00 -2.50 0.00 0.00 55.73 53.75 2w94 s ARG 128 Cb -0.16 -3.73 0.04 0.00 0.06 0.00 0.00 34.95 31.16 2w94 s ARG 128 CO 0.06 -0.71 0.46 0.00 -2.50 0.00 0.00 175.30 172.61 2w94 s ALA 129 N 3.05 -1.06 -0.26 6.12 0.00 -0.67 -4.48 121.76 124.47 2w94 s ALA 129 Ca 0.34 0.02 -0.05 0.00 0.00 0.00 0.00 51.96 52.27 2w94 s ALA 129 Cb -0.14 0.77 -0.16 0.00 0.00 0.00 0.00 23.12 23.59 2w94 s ALA 129 CO 0.13 -0.70 -0.23 0.54 0.00 0.00 0.00 175.76 175.50 2w94 n ARG 130 N -0.28 0.63 -4.69 0.00 1.74 0.39 -1.01 116.66 113.43 2w94 n ARG 130 Ca -0.15 0.21 -0.25 0.00 -0.77 0.00 0.00 57.85 56.89 2w94 n ARG 130 Cb 0.64 -1.53 -0.14 0.00 -1.02 0.00 0.00 32.46 30.41 2w94 n ARG 130 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2w94 s SER 131 N -6.91 2.26 -0.00 0.55 0.01 -0.83 0.37 113.70 109.15 2w94 s SER 131 Ca -0.36 -0.45 -0.03 0.00 1.31 0.00 0.00 55.95 56.42 2w94 s SER 131 Cb 0.11 -0.21 -0.00 0.00 0.21 0.00 0.00 66.02 66.13 2w94 s SER 131 CO 0.57 0.17 0.06 -0.51 0.41 0.00 0.00 173.24 173.94 2w94 s ILE 132 N -0.68 0.06 0.01 1.44 2.07 -0.64 -1.00 121.20 122.47 2w94 s ILE 132 Ca 0.07 -0.52 0.03 0.00 -1.41 0.00 0.00 60.65 58.82 2w94 s ILE 132 Cb -0.08 -0.27 -0.01 0.00 0.13 0.00 0.00 42.46 42.23 2w94 s ILE 132 CO 0.01 -0.28 -0.09 0.00 -1.91 0.00 0.00 174.94 172.66 2w94 s ALA 133 N -0.90 0.75 -0.28 1.50 0.00 0.11 -1.24 121.76 121.69 2w94 s ALA 133 Ca -0.10 -0.49 -0.10 0.00 0.00 0.00 0.00 51.96 51.27 2w94 s ALA 133 Cb -0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 2w94 s ALA 133 CO 0.00 0.15 0.16 0.42 0.00 0.00 0.00 175.76 176.49 2w94 s ILE 134 N -0.47 4.94 -0.47 0.00 1.01 -0.35 -1.92 121.20 123.93 2w94 s ILE 134 Ca 0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 60.65 60.58 2w94 s ILE 134 Cb -0.05 -3.38 0.12 0.00 0.01 0.00 0.00 42.46 39.16 2w94 s ILE 134 CO 0.00 0.23 0.29 -1.00 0.00 0.00 0.00 174.94 174.46 2w94 s HIS 135 N 1.70 3.52 0.26 3.97 3.76 -0.12 -1.88 115.29 126.50 2w94 s HIS 135 Ca 0.06 -2.34 -0.31 0.00 -0.15 0.00 0.00 55.06 52.32 2w94 s HIS 135 Cb -0.16 -3.30 -0.12 0.00 1.11 0.00 0.00 32.58 30.11 2w94 s HIS 135 CO 0.08 -0.95 1.55 -2.30 -0.85 0.00 0.00 174.74 172.27 2w94 n PRO 136 N 4.45 2.45 -0.06 8.40 -0.02 -1.25 -0.68 135.00 148.28 2w94 n PRO 136 Ca -0.01 0.88 -0.08 0.00 -2.02 0.00 0.00 63.50 62.26 2w94 n PRO 136 Cb 0.41 -2.62 -0.07 0.00 -0.02 0.00 0.00 33.50 31.19 2w94 n PRO 136 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2w94 n LEU 137 N 2.45 2.05 -3.98 2.45 4.77 -0.08 -4.71 117.00 119.95 2w94 n LEU 137 Ca 0.11 -0.05 -0.09 0.00 -0.03 0.00 0.00 56.01 55.95 2w94 n LEU 137 Cb 0.34 -0.25 -0.11 0.00 -2.33 0.00 0.00 43.42 41.08 2w94 n LEU 137 CO 0.63 0.58 -0.33 0.42 -1.33 0.00 0.00 177.39 177.37 2w94 s THR 138 N -2.27 0.13 0.09 -5.08 -4.23 -1.07 -4.91 115.64 98.30 2w94 s THR 138 Ca -0.14 -1.05 -0.15 0.00 -1.18 0.00 0.00 61.69 59.16 2w94 s THR 138 Cb 0.04 -0.54 0.03 0.00 1.34 0.00 0.00 72.50 73.37 2w94 s THR 138 CO 0.35 -0.58 0.37 -1.66 -0.54 0.00 0.00 174.62 172.56 2w94 s TRP 139 N -1.95 -0.17 -0.29 3.99 -2.14 -1.26 -1.23 118.94 115.89 2w94 s TRP 139 Ca -0.11 -0.07 -0.08 0.00 2.66 0.00 0.00 56.10 58.50 2w94 s TRP 139 Cb -0.06 0.19 -0.00 0.00 -3.10 0.00 0.00 33.47 30.49 2w94 s TRP 139 CO -0.03 -0.62 0.11 1.21 -2.66 0.00 0.00 176.95 174.96 2w94 s ASN 140 N -2.51 5.31 0.00 -2.66 2.47 0.16 -4.83 114.94 112.87 2w94 s ASN 140 Ca 0.00 -0.54 0.00 0.00 0.42 0.00 0.00 52.86 52.74 2w94 s ASN 140 Cb 0.01 -1.94 0.00 0.00 -1.45 0.00 0.00 41.25 37.87 2w94 s ASN 140 CO -0.08 -0.16 0.00 0.61 -3.72 0.00 0.00 177.10 173.74 2w94 n GLY 141 N 4.93 1.91 3.65 1.21 0.00 -1.26 -1.92 105.19 113.71 2w94 n GLY 141 Ca -0.15 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 2w94 n GLY 141 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2w94 s HIS 142 N 0.00 -0.33 -0.80 1.61 2.46 -1.26 -5.06 115.29 111.92 2w94 s HIS 142 Ca 0.00 0.00 -0.23 0.00 0.47 0.00 0.00 55.06 55.30 2w94 s HIS 142 Cb 0.00 0.63 0.07 0.00 -0.13 0.00 0.00 32.58 33.15 2w94 s HIS 142 CO 0.00 -0.99 1.16 0.42 -2.47 0.00 0.00 174.74 172.86 2w94 s ILE 143 N -3.73 4.18 -0.03 0.89 1.01 -1.26 -4.05 121.20 118.21 2w94 s ILE 143 Ca 0.07 -0.47 -0.00 0.00 0.00 0.00 0.00 60.65 60.24 2w94 s ILE 143 Cb -0.03 -4.83 0.03 0.00 0.01 0.00 0.00 42.46 37.64 2w94 s ILE 143 CO -0.02 -1.65 0.04 -0.44 0.00 0.00 0.00 174.94 172.87 2w94 s SER 144 N 3.92 0.17 0.12 3.58 0.01 -1.26 -1.74 113.70 118.49 2w94 s SER 144 Ca 0.32 0.07 -0.16 0.00 1.31 0.00 0.00 55.95 57.48 2w94 s SER 144 Cb -0.09 -0.05 0.04 0.00 0.21 0.00 0.00 66.02 66.12 2w94 s SER 144 CO 0.04 -0.14 0.40 -1.48 0.41 0.00 0.00 173.24 172.47 2w94 s LEU 145 N 1.21 0.40 0.21 2.44 0.05 -0.23 -3.70 118.68 119.07 2w94 s LEU 145 Ca -0.07 -0.28 0.10 0.00 0.05 0.00 0.00 54.13 53.93 2w94 s LEU 145 Cb -0.13 1.83 -0.05 0.00 -2.05 0.00 0.00 46.19 45.79 2w94 s LEU 145 CO -0.03 -0.83 -0.21 -0.13 -0.55 0.00 0.00 176.35 174.60 2w94 s ARG 146 N -3.66 1.48 0.26 1.48 0.52 -0.26 -1.52 118.95 117.26 2w94 s ARG 146 Ca 0.02 -1.56 -0.19 0.00 -0.52 0.00 0.00 55.73 53.48 2w94 s ARG 146 Cb 0.02 -1.63 0.02 0.00 0.52 0.00 0.00 34.95 33.87 2w94 s ARG 146 CO -0.11 0.33 0.66 0.00 0.02 0.00 0.00 175.30 176.20 2w94 s GLU 148 N -3.93 0.80 -0.06 0.00 2.56 -0.90 -1.51 118.70 115.66 2w94 s GLU 148 Ca 0.12 -0.14 0.04 0.00 0.00 0.00 0.00 54.97 54.99 2w94 s GLU 148 Cb -0.05 0.36 -0.02 0.00 2.00 0.00 0.00 34.13 36.43 2w94 s GLU 148 CO 0.06 -0.24 -0.19 -0.06 -0.56 0.00 0.00 175.26 174.27 2w94 s PHE 149 N -1.55 2.58 -0.21 5.30 0.40 -1.26 -0.89 117.98 122.34 2w94 s PHE 149 Ca -0.11 -0.49 -0.03 0.00 -0.60 0.00 0.00 56.93 55.70 2w94 s PHE 149 Cb -0.03 -1.64 -0.01 0.00 0.51 0.00 0.00 43.02 41.85 2w94 s PHE 149 CO 0.04 -0.06 -0.06 0.71 0.70 0.00 0.00 175.22 176.55 2w94 s TYR 150 N -0.32 2.94 0.22 0.36 1.51 -0.57 -1.57 117.35 119.92 2w94 s TYR 150 Ca 0.02 -0.93 0.10 0.00 -1.01 0.00 0.00 57.07 55.24 2w94 s TYR 150 Cb -0.13 -2.07 -0.05 0.00 -0.11 0.00 0.00 41.96 39.61 2w94 s TYR 150 CO 0.02 -0.52 -0.19 0.95 -1.11 0.00 0.00 175.55 174.71 2w94 s THR 151 N 1.33 2.13 0.51 -0.71 -4.23 -0.53 -1.16 115.64 112.98 2w94 s THR 151 Ca 0.04 -2.20 -0.22 0.00 -1.18 0.00 0.00 61.69 58.13 2w94 s THR 151 Cb -0.14 -2.11 -0.07 0.00 1.34 0.00 0.00 72.50 71.52 2w94 s THR 151 CO -0.03 -0.39 1.25 0.00 -0.54 0.00 0.00 174.62 174.91 2w94 n GLN 152 N -0.22 1.61 -1.64 3.99 1.13 -0.59 0.17 117.38 121.82 2w94 n GLN 152 Ca -0.09 0.59 -0.41 0.00 -1.94 0.00 0.00 57.00 55.15 2w94 n GLN 152 Cb 0.59 -2.42 0.01 0.00 0.11 0.00 0.00 30.24 28.53 2w94 n GLN 152 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 2w94 n PRO 153 N -0.64 1.47 -3.96 -1.09 -0.02 -1.26 -4.68 135.00 124.81 2w94 n PRO 153 Ca 0.10 0.53 -0.32 0.00 -2.02 0.00 0.00 63.50 61.78 2w94 n PRO 153 Cb 0.43 -2.15 -0.05 0.00 -0.02 0.00 0.00 33.50 31.72 2w94 n PRO 153 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2w94 s VAL 154 N -1.27 5.18 0.02 -1.45 -7.23 -1.26 -5.01 120.40 109.38 2w94 s VAL 154 Ca 0.64 -0.36 0.04 0.00 -1.81 0.00 0.00 61.98 60.49 2w94 s VAL 154 Cb -0.53 -3.46 -0.03 0.00 0.56 0.00 0.00 36.38 32.91 2w94 s VAL 154 CO 0.56 0.24 -0.07 -1.10 -0.31 0.00 0.00 175.10 174.42 2w94 s GLN 155 N -2.16 2.49 -0.04 4.82 1.11 -1.26 -5.09 119.66 119.53 2w94 s GLN 155 Ca 0.29 -0.77 0.07 0.00 0.01 0.00 0.00 55.36 54.97 2w94 s GLN 155 Cb -0.13 -2.47 -0.02 0.00 -1.01 0.00 0.00 33.01 29.39 2w94 s GLN 155 CO 0.21 0.59 -0.24 0.45 0.01 0.00 0.00 175.29 176.31 2w94 s SER 156 N -1.52 3.16 0.14 5.90 0.15 -1.26 -5.02 113.70 115.26 2w94 s SER 156 Ca 0.18 -0.46 0.08 0.00 0.70 0.00 0.00 55.95 56.45 2w94 s SER 156 Cb -0.11 -0.59 -0.04 0.00 -1.71 0.00 0.00 66.02 63.57 2w94 s SER 156 CO 0.08 0.29 -0.20 -0.94 1.20 0.00 0.00 173.24 173.68 2w94 s SER 157 N -0.44 2.64 -0.05 5.45 1.04 -1.26 -0.01 113.70 121.08 2w94 s SER 157 Ca 0.05 -0.79 0.03 0.00 0.48 0.00 0.00 55.95 55.72 2w94 s SER 157 Cb -0.12 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.86 2w94 s SER 157 CO 0.01 0.01 -0.15 -0.69 0.98 0.00 0.00 173.24 173.41 2w94 s VAL 158 N -1.65 1.26 -0.02 5.02 1.01 -0.31 -4.99 120.40 120.71 2w94 s VAL 158 Ca 0.12 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 61.56 2w94 s VAL 158 Cb -0.08 -1.10 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 2w94 s VAL 158 CO 0.06 0.37 -0.19 -0.89 0.00 0.00 0.00 175.10 174.45 2w94 s THR 159 N 0.28 1.52 -0.08 3.92 2.01 -1.26 -1.00 115.64 121.02 2w94 s THR 159 Ca -0.08 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.14 2w94 s THR 159 Cb -0.13 -1.27 0.01 0.00 0.01 0.00 0.00 72.50 71.12 2w94 s THR 159 CO 0.03 0.43 -0.14 -1.10 -0.69 0.00 0.00 174.62 173.15 2w94 s GLN 160 N -0.32 1.95 -0.15 4.92 -0.21 0.23 -4.99 119.66 121.08 2w94 s GLN 160 Ca 0.04 -0.49 -0.05 0.00 0.02 0.00 0.00 55.36 54.88 2w94 s GLN 160 Cb -0.09 -1.60 -0.03 0.00 1.00 0.00 0.00 33.01 32.29 2w94 s GLN 160 CO 0.00 0.03 -0.00 0.08 -2.12 0.00 0.00 175.29 173.28 2w94 s VAL 161 N 0.69 4.24 -0.04 1.09 1.01 -1.26 -0.72 120.40 125.40 2w94 s VAL 161 Ca -0.14 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 61.64 2w94 s VAL 161 Cb -0.16 -2.86 -0.00 0.00 0.00 0.00 0.00 36.38 33.36 2w94 s VAL 161 CO 0.03 0.50 -0.16 -0.83 0.00 0.00 0.00 175.10 174.65 2w94 s GLY 162 N 0.16 0.86 -0.00 4.51 0.00 -0.55 -5.01 107.32 107.29 2w94 s GLY 162 Ca 0.01 -0.63 0.02 0.00 0.00 0.00 0.00 44.72 44.12 2w94 s GLY 162 CO 0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 173.10 172.80 2w94 s ALA 163 N 0.07 3.21 -0.72 3.20 0.00 -1.26 -0.55 121.76 125.71 2w94 s ALA 163 Ca -0.04 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 2w94 s ALA 163 Cb -0.11 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.73 2w94 s ALA 163 CO 0.02 0.64 0.61 -0.25 0.00 0.00 0.00 175.76 176.77 2w94 n ASP 164 N 1.45 -2.61 -4.69 0.00 8.00 -1.07 -4.97 116.55 112.66 2w94 n ASP 164 Ca -0.15 -0.35 -0.42 0.00 0.71 0.00 0.00 54.79 54.58 2w94 n ASP 164 Cb 0.53 -3.19 -0.03 0.00 -0.02 0.00 0.00 41.12 38.41 2w94 n ASP 164 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2w94 s ILE 165 N -3.20 4.02 -0.01 0.53 -1.09 0.49 -4.84 121.20 117.09 2w94 s ILE 165 Ca 0.08 1.38 0.03 0.00 -2.23 0.00 0.00 60.65 59.92 2w94 s ILE 165 Cb -0.03 -3.89 -0.01 0.00 -1.58 0.00 0.00 42.46 36.95 2w94 s ILE 165 CO 0.43 0.02 -0.11 -0.47 -1.23 0.00 0.00 174.94 173.57 2w94 s TYR 166 N 2.08 0.98 0.35 3.97 5.04 -1.26 -1.21 117.35 127.29 2w94 s TYR 166 Ca 0.59 -0.19 0.23 0.00 -2.44 0.00 0.00 57.07 55.27 2w94 s TYR 166 Cb -0.28 -0.63 1.18 0.00 0.35 0.00 0.00 41.96 42.57 2w94 s TYR 166 CO 0.25 -0.02 1.97 1.79 -1.34 0.00 0.00 175.55 178.19 2w94 h THR 167 N 4.89 0.72 0.00 4.34 1.35 -1.81 -3.49 112.91 118.91 2w94 h THR 167 Ca -0.32 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 64.72 2w94 h THR 167 Cb 1.17 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 2w94 h THR 167 CO 0.49 0.19 0.00 0.61 -0.25 0.00 0.00 175.52 176.57 2w94 n GLY 168 N -0.47 1.43 3.77 5.82 0.00 -1.26 -4.82 105.19 109.66 2w94 n GLY 168 Ca -0.01 -1.78 -0.38 0.00 0.00 0.00 0.00 46.02 43.84 2w94 n GLY 168 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2w94 s ASP 169 N -0.61 6.57 -1.15 1.61 1.01 -1.26 -3.93 116.67 118.91 2w94 s ASP 169 Ca 0.00 2.33 -0.25 0.00 0.71 0.00 0.00 52.55 55.34 2w94 s ASP 169 Cb 0.00 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.32 2w94 s ASP 169 CO 0.00 -0.64 0.76 -3.20 0.21 0.00 0.00 175.17 172.30 2w94 n ASN 170 N 0.12 -5.03 -4.49 0.27 5.15 -0.81 -4.92 115.26 105.55 2w94 n ASN 170 Ca 0.04 -1.09 -0.26 0.00 -0.60 0.00 0.00 54.58 52.67 2w94 n ASN 170 Cb 0.47 -2.88 0.14 0.00 -0.53 0.00 0.00 39.78 36.97 2w94 n ASN 170 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2w94 n ALA 172 N -3.14 1.17 1.23 0.00 0.00 -1.26 -0.97 120.51 117.55 2w94 n ALA 172 Ca 0.15 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.80 2w94 n ALA 172 Cb 0.60 -1.18 0.66 0.00 0.00 0.00 0.00 19.45 19.53 2w94 n ALA 172 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2w94 n LEU 173 N -1.84 0.00 -0.90 0.00 4.77 -1.26 -3.33 117.00 114.44 2w94 n LEU 173 Ca 0.00 0.28 0.10 0.00 -0.03 0.00 0.00 56.01 56.37 2w94 n LEU 173 Cb 0.06 -0.28 0.27 0.00 -2.33 0.00 0.00 43.42 41.14 2w94 n LEU 173 CO 0.07 -0.04 0.73 -3.20 -1.33 0.00 0.00 177.39 173.62 2w94 n ASN 174 N -1.28 2.68 -4.20 -1.43 5.15 -0.14 -0.79 115.26 115.24 2w94 n ASN 174 Ca 0.12 -1.90 -0.12 0.00 -0.60 0.00 0.00 54.58 52.09 2w94 n ASN 174 Cb 0.21 -0.23 -0.10 0.00 -0.53 0.00 0.00 39.78 39.13 2w94 n ASN 174 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2w94 s THR 175 N -1.54 0.55 0.00 -0.44 -1.32 -1.21 -4.72 115.64 106.95 2w94 s THR 175 Ca 0.36 -1.95 0.00 0.00 -1.21 0.00 0.00 61.69 58.89 2w94 s THR 175 Cb 0.20 -1.97 0.00 0.00 -1.51 0.00 0.00 72.50 69.22 2w94 s THR 175 CO 0.28 -0.60 0.00 0.61 -2.21 0.00 0.00 174.62 172.70 2w94 n GLY 176 N -0.15 -2.35 3.11 6.08 0.00 -1.26 -4.99 105.19 105.63 2w94 n GLY 176 Ca -0.08 -1.62 -0.09 0.00 0.00 0.00 0.00 46.02 44.23 2w94 n GLY 176 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2w94 s SER 177 N -2.88 0.19 0.00 1.61 0.15 -1.26 -4.77 113.70 106.74 2w94 s SER 177 Ca 0.00 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.10 2w94 s SER 177 Cb 0.00 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 2w94 s SER 177 CO 0.00 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.54 2w94 n GLY 178 N 0.74 -2.22 3.68 9.45 0.00 0.56 -4.83 105.19 112.59 2w94 n GLY 178 Ca -0.19 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 2w94 n GLY 178 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2w94 s LYS 179 N -0.43 4.16 0.01 1.61 2.20 -1.26 -4.07 119.74 121.95 2w94 s LYS 179 Ca 0.00 2.49 0.03 0.00 -0.36 0.00 0.00 55.97 58.13 2w94 s LYS 179 Cb 0.00 -3.72 -0.01 0.00 -1.51 0.00 0.00 37.83 32.59 2w94 s LYS 179 CO 0.00 -0.83 -0.10 1.03 -0.36 0.00 0.00 175.35 175.10 2w94 s ARG 180 N 3.08 0.73 0.06 4.03 0.52 -0.88 -5.00 118.95 121.49 2w94 s ARG 180 Ca 0.80 -0.43 0.05 0.00 -0.52 0.00 0.00 55.73 55.62 2w94 s ARG 180 Cb -0.43 -0.69 -0.03 0.00 0.52 0.00 0.00 34.95 34.33 2w94 s ARG 180 CO 0.36 0.18 -0.13 -1.21 0.02 0.00 0.00 175.30 174.52 2w94 s GLU 181 N -0.49 0.80 -0.14 3.54 2.02 -1.26 -2.21 118.70 120.96 2w94 s GLU 181 Ca 0.02 -0.87 0.02 0.00 0.02 0.00 0.00 54.97 54.16 2w94 s GLU 181 Cb -0.05 -0.78 0.01 0.00 0.10 0.00 0.00 34.13 33.42 2w94 s GLU 181 CO -0.00 0.18 -0.22 0.08 0.02 0.00 0.00 175.26 175.32 2w94 s VAL 182 N -1.17 2.02 -0.22 2.63 1.01 0.72 -4.92 120.40 120.47 2w94 s VAL 182 Ca -0.02 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 60.94 2w94 s VAL 182 Cb -0.09 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 2w94 s VAL 182 CO 0.02 0.54 0.03 -0.69 0.00 0.00 0.00 175.10 175.00 2w94 s VAL 183 N 0.82 4.15 -0.30 2.92 1.01 -1.26 -1.08 120.40 126.65 2w94 s VAL 183 Ca -0.07 -0.24 -0.00 0.00 0.00 0.00 0.00 61.98 61.67 2w94 s VAL 183 Cb -0.16 -2.90 0.06 0.00 0.00 0.00 0.00 36.38 33.38 2w94 s VAL 183 CO -0.02 0.39 -0.01 -0.69 0.00 0.00 0.00 175.10 174.78 2w94 s VAL 184 N 1.23 2.76 0.25 2.92 1.01 0.95 -4.96 120.40 124.56 2w94 s VAL 184 Ca 0.04 -1.58 -0.30 0.00 0.00 0.00 0.00 61.98 60.15 2w94 s VAL 184 Cb -0.15 -2.65 -0.09 0.00 0.00 0.00 0.00 36.38 33.49 2w94 s VAL 184 CO 0.02 -0.17 1.28 -2.84 0.00 0.00 0.00 175.10 173.39 2w94 s PRO 185 N 1.18 4.41 -0.11 2.72 0.02 -1.26 -0.90 135.00 141.06 2w94 s PRO 185 Ca -0.04 2.07 0.04 0.00 0.02 0.00 0.00 61.00 63.09 2w94 s PRO 185 Cb -0.20 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.17 2w94 s PRO 185 CO -0.03 -0.18 -0.23 0.08 -0.33 0.00 0.00 177.00 176.32 2w94 s VAL 186 N -0.43 2.00 -0.18 3.83 1.01 0.06 -4.91 120.40 121.78 2w94 s VAL 186 Ca 0.53 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 2w94 s VAL 186 Cb -0.37 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 2w94 s VAL 186 CO 0.43 0.54 -0.00 -0.54 0.00 0.00 0.00 175.10 175.53 2w94 s LYS 187 N 0.47 3.71 0.63 2.72 1.02 -1.26 -1.38 119.74 125.64 2w94 s LYS 187 Ca -0.16 -0.49 -0.18 0.00 0.02 0.00 0.00 55.97 55.16 2w94 s LYS 187 Cb -0.17 -3.04 -0.02 0.00 -0.52 0.00 0.00 37.83 34.08 2w94 s LYS 187 CO 0.06 0.16 1.22 -0.06 -0.92 0.00 0.00 175.35 175.81 2w94 s PHE 188 N 0.62 2.29 0.27 3.18 0.08 0.23 -4.92 117.98 119.72 2w94 s PHE 188 Ca -0.01 1.52 -0.03 0.00 0.12 0.00 0.00 56.93 58.53 2w94 s PHE 188 Cb -0.14 -3.51 0.37 0.00 -0.57 0.00 0.00 43.02 39.18 2w94 s PHE 188 CO 0.02 -2.39 1.91 0.37 -0.10 0.00 0.00 175.22 175.03 2w94 h GLN 189 N 0.60 1.19 -4.82 0.44 4.15 -1.97 -3.43 115.11 111.28 2w94 h GLN 189 Ca -0.50 -0.07 -0.29 0.00 0.77 0.00 0.00 58.65 58.56 2w94 h GLN 189 Cb 1.30 -0.27 -0.18 0.00 0.21 0.00 0.00 27.48 28.54 2w94 h GLN 189 CO 0.54 0.79 -0.73 -0.59 -1.93 0.00 0.00 178.83 176.91 2w94 s PHE 190 N -6.04 0.93 -0.13 3.99 -0.12 -1.26 -5.13 117.98 110.23 2w94 s PHE 190 Ca -0.12 -0.66 -0.29 0.00 -0.05 0.00 0.00 56.93 55.80 2w94 s PHE 190 Cb 0.19 -0.53 -0.02 0.00 -0.63 0.00 0.00 43.02 42.03 2w94 s PHE 190 CO 0.81 -0.05 1.30 -2.00 -0.05 0.00 0.00 175.22 175.23 2w94 s GLU 191 N -2.65 4.25 0.69 1.99 2.12 -1.26 -4.90 118.70 118.93 2w94 s GLU 191 Ca 0.02 1.73 -0.17 0.00 0.36 0.00 0.00 54.97 56.91 2w94 s GLU 191 Cb -0.03 -3.74 0.01 0.00 0.26 0.00 0.00 34.13 30.63 2w94 s GLU 191 CO -0.01 -0.67 1.28 -0.06 -0.54 0.00 0.00 175.26 175.26 2w94 s PHE 192 N 3.28 2.00 0.14 5.30 0.08 -0.57 -4.95 117.98 123.26 2w94 s PHE 192 Ca 0.57 1.52 0.16 0.00 0.12 0.00 0.00 56.93 59.30 2w94 s PHE 192 Cb -0.24 -3.66 0.48 0.00 -0.57 0.00 0.00 43.02 39.04 2w94 s PHE 192 CO 0.18 -2.94 1.64 0.00 -0.10 0.00 0.00 175.22 174.00 2w94 h ALA 193 N 0.21 0.91 -2.50 5.36 0.00 -1.95 -3.46 119.26 117.82 2w94 h ALA 193 Ca -0.50 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 53.84 2w94 h ALA 193 Cb 1.33 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.90 2w94 h ALA 193 CO 0.51 0.59 -0.49 0.95 0.00 0.00 0.00 179.25 180.82 2w94 s THR 194 N -3.46 0.11 0.16 0.00 -4.23 -1.26 -5.12 115.64 101.82 2w94 s THR 194 Ca 0.00 -1.61 -0.32 0.00 -1.18 0.00 0.00 61.69 58.58 2w94 s THR 194 Cb 0.11 -1.83 -0.11 0.00 1.34 0.00 0.00 72.50 72.01 2w94 s THR 194 CO 0.72 -0.48 1.78 -0.11 -0.54 0.00 0.00 174.62 175.98 2w94 n LEU 195 N -0.11 3.95 -4.90 4.79 7.94 -1.26 -4.79 117.00 122.61 2w94 n LEU 195 Ca -0.08 1.02 -0.28 0.00 -1.11 0.00 0.00 56.01 55.56 2w94 n LEU 195 Cb 0.63 -1.55 -0.01 0.00 0.53 0.00 0.00 43.42 43.02 2w94 n LEU 195 CO 0.27 0.14 0.44 -2.16 -1.11 0.00 0.00 177.39 174.97 2w94 s PRO 196 N 2.01 3.61 0.11 1.96 0.04 -1.26 -4.65 135.00 136.82 2w94 s PRO 196 Ca 0.79 0.28 -0.08 0.00 0.04 0.00 0.00 61.00 62.03 2w94 s PRO 196 Cb -0.51 -2.38 -0.06 0.00 0.04 0.00 0.00 34.50 31.59 2w94 s PRO 196 CO 0.36 -0.15 0.41 0.15 0.04 0.00 0.00 177.00 177.80 2w94 s LYS 197 N -4.46 3.72 -0.09 4.56 1.02 -0.22 -4.90 119.74 119.37 2w94 s LYS 197 Ca 0.49 0.11 -0.00 0.00 0.02 0.00 0.00 55.97 56.58 2w94 s LYS 197 Cb -0.10 -2.91 0.02 0.00 -0.52 0.00 0.00 37.83 34.32 2w94 s LYS 197 CO 0.41 0.51 -0.05 0.08 -0.92 0.00 0.00 175.35 175.37 2w94 s VAL 198 N -1.52 0.79 -0.00 3.17 1.01 -1.26 -1.15 120.40 121.44 2w94 s VAL 198 Ca 0.37 -0.16 -0.15 0.00 0.00 0.00 0.00 61.98 62.04 2w94 s VAL 198 Cb -0.13 -0.85 -0.06 0.00 0.00 0.00 0.00 36.38 35.35 2w94 s VAL 198 CO 0.20 0.32 0.41 0.00 0.00 0.00 0.00 175.10 176.04 2w94 s ALA 199 N 1.64 3.69 -0.23 5.51 0.00 0.38 -4.92 121.76 127.83 2w94 s ALA 199 Ca 0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 51.96 51.73 2w94 s ALA 199 Cb -0.13 -2.40 0.12 0.00 0.00 0.00 0.00 23.12 20.72 2w94 s ALA 199 CO -0.06 0.46 0.38 -1.17 0.00 0.00 0.00 175.76 175.38 2w94 s LEU 200 N -1.02 -0.62 0.04 0.00 2.96 -1.26 -1.20 118.68 117.58 2w94 s LEU 200 Ca 0.24 0.38 0.00 0.00 -0.22 0.00 0.00 54.13 54.53 2w94 s LEU 200 Cb -0.17 1.14 -0.03 0.00 0.50 0.00 0.00 46.19 47.63 2w94 s LEU 200 CO 0.13 -0.28 -0.04 0.20 -1.32 0.00 0.00 176.35 175.04 2w94 s ASN 201 N 2.55 0.50 0.35 3.68 0.02 -0.94 -4.76 114.94 116.33 2w94 s ASN 201 Ca 0.10 -0.69 -0.26 0.00 -1.02 0.00 0.00 52.86 50.99 2w94 s ASN 201 Cb -0.15 0.12 -0.10 0.00 0.02 0.00 0.00 41.25 41.14 2w94 s ASN 201 CO -0.15 -0.38 1.00 -0.36 0.02 0.00 0.00 177.10 177.23 2w94 s PHE 202 N -2.32 3.52 0.00 2.20 0.40 -1.26 -2.17 117.98 118.35 2w94 s PHE 202 Ca -0.06 1.72 0.00 0.00 -0.60 0.00 0.00 56.93 57.99 2w94 s PHE 202 Cb -0.04 -3.03 0.00 0.00 0.51 0.00 0.00 43.02 40.46 2w94 s PHE 202 CO -0.04 -0.18 0.00 -0.40 0.70 0.00 0.00 175.22 175.31 2w94 n ASP 203 N 0.38 0.63 -3.70 1.36 5.75 -0.54 -4.85 116.55 115.58 2w94 n ASP 203 Ca 0.03 -0.25 -0.13 0.00 -0.01 0.00 0.00 54.79 54.42 2w94 n ASP 203 Cb 0.49 0.63 -0.13 0.00 -1.03 0.00 0.00 41.12 41.08 2w94 n ASP 203 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 2w94 s GLN 204 N -0.76 0.18 -0.07 0.11 0.74 -1.16 -4.97 119.66 113.72 2w94 s GLN 204 Ca 0.00 0.63 0.03 0.00 0.05 0.00 0.00 55.36 56.07 2w94 s GLN 204 Cb 0.00 -0.09 0.00 0.00 1.10 0.00 0.00 33.01 34.03 2w94 s GLN 204 CO 0.00 -0.22 -0.17 0.42 -0.55 0.00 0.00 175.29 174.77 2w94 s ILE 205 N 1.79 1.49 -0.32 -2.34 1.01 -1.26 -1.07 121.20 120.51 2w94 s ILE 205 Ca -0.04 -0.71 -0.02 0.00 0.00 0.00 0.00 60.65 59.88 2w94 s ILE 205 Cb -0.11 -1.31 0.12 0.00 0.01 0.00 0.00 42.46 41.17 2w94 s ILE 205 CO -0.08 0.43 0.17 -0.62 0.00 0.00 0.00 174.94 174.84 2w94 s ASP 206 N 0.40 3.24 0.07 3.58 -1.08 -0.87 -5.04 116.67 116.98 2w94 s ASP 206 Ca -0.13 -1.77 -0.10 0.00 -0.52 0.00 0.00 52.55 50.04 2w94 s ASP 206 Cb -0.15 -0.38 0.00 0.00 -1.46 0.00 0.00 42.92 40.93 2w94 s ASP 206 CO 0.05 -0.37 0.21 0.00 0.52 0.00 0.00 175.17 175.58 2w94 s THR 208 N -3.41 4.00 0.66 0.00 2.01 -0.44 -4.96 115.64 113.50 2w94 s THR 208 Ca 0.01 -0.35 -0.11 0.00 0.31 0.00 0.00 61.69 61.55 2w94 s THR 208 Cb 0.03 -2.68 -0.01 0.00 0.01 0.00 0.00 72.50 69.84 2w94 s THR 208 CO -0.09 0.58 1.05 1.51 -0.69 0.00 0.00 174.62 176.98 2w94 s ASP 209 N -0.55 5.70 -0.16 3.53 1.47 -1.26 -3.98 116.67 121.42 2w94 s ASP 209 Ca 0.09 1.58 0.01 0.00 1.18 0.00 0.00 52.55 55.40 2w94 s ASP 209 Cb -0.12 -2.49 0.02 0.00 -0.34 0.00 0.00 42.92 39.99 2w94 s ASP 209 CO 0.02 -1.22 -0.18 0.00 0.68 0.00 0.00 175.17 174.47 2w94 s ALA 210 N -3.01 2.08 -1.24 2.11 0.00 -0.27 -4.72 121.76 116.71 2w94 s ALA 210 Ca 0.58 -1.04 -0.10 0.00 0.00 0.00 0.00 51.96 51.40 2w94 s ALA 210 Cb -0.13 -1.08 0.01 0.00 0.00 0.00 0.00 23.12 21.93 2w94 s ALA 210 CO 0.52 -0.30 0.20 2.41 0.00 0.00 0.00 175.76 178.59 2w94 n THR 211 N 4.57 -1.32 -0.88 0.00 -1.04 -1.26 -0.13 114.28 114.21 2w94 n THR 211 Ca -0.19 -0.46 0.00 0.00 -2.04 0.00 0.00 64.05 61.36 2w94 n THR 211 Cb 0.50 -1.21 0.00 0.00 -1.82 0.00 0.00 70.33 67.81 2w94 n THR 211 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2w94 n ASN 212 N -2.19 -2.34 -4.82 8.00 5.03 -1.26 -5.00 115.26 112.68 2w94 n ASN 212 Ca -0.22 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 54.87 2w94 n ASN 212 Cb 0.56 -1.63 -0.07 0.00 -1.02 0.00 0.00 39.78 37.63 2w94 n ASN 212 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 2w94 s GLN 213 N -0.75 3.74 -0.11 3.52 2.00 0.81 -5.01 119.66 123.86 2w94 s GLN 213 Ca 0.00 -0.17 -0.13 0.00 -2.00 0.00 0.00 55.36 53.06 2w94 s GLN 213 Cb 0.00 -3.28 -0.05 0.00 0.80 0.00 0.00 33.01 30.48 2w94 s GLN 213 CO 0.00 0.58 0.31 0.99 -0.50 0.00 0.00 175.29 176.67 2w94 s THR 214 N -0.46 5.26 -0.23 -0.34 2.01 -1.26 -1.11 115.64 119.51 2w94 s THR 214 Ca 0.12 0.60 -0.04 0.00 0.31 0.00 0.00 61.69 62.68 2w94 s THR 214 Cb -0.12 -3.63 0.08 0.00 0.01 0.00 0.00 72.50 68.84 2w94 s THR 214 CO 0.02 0.46 0.10 -0.13 -0.69 0.00 0.00 174.62 174.38 2w94 s ARG 215 N -0.09 0.21 0.01 4.92 0.52 -1.26 -5.06 118.95 118.20 2w94 s ARG 215 Ca 0.19 -0.35 -0.08 0.00 -0.52 0.00 0.00 55.73 54.97 2w94 s ARG 215 Cb -0.14 -1.60 0.00 0.00 0.52 0.00 0.00 34.95 33.73 2w94 s ARG 215 CO 0.07 -0.83 0.15 0.96 0.02 0.00 0.00 175.30 175.67 2w94 s ILE 216 N 2.07 0.09 0.22 1.52 -4.36 -1.26 -4.49 121.20 114.99 2w94 s ILE 216 Ca 0.05 -0.78 -0.21 0.00 -0.26 0.00 0.00 60.65 59.45 2w94 s ILE 216 Cb -0.16 -0.59 0.04 0.00 1.25 0.00 0.00 42.46 43.00 2w94 s ILE 216 CO -0.21 -0.43 0.64 -0.83 0.24 0.00 0.00 174.94 174.35 2w94 s GLY 217 N -1.62 -0.31 -0.10 6.27 0.00 -0.38 -5.00 107.32 106.19 2w94 s GLY 217 Ca -0.12 0.03 -0.09 0.00 0.00 0.00 0.00 44.72 44.55 2w94 s GLY 217 CO -0.00 -0.02 0.27 0.54 0.00 0.00 0.00 173.10 173.89 2w94 s VAL 218 N -3.84 -0.01 -0.17 1.40 0.11 -1.26 -1.37 120.40 115.26 2w94 s VAL 218 Ca 0.07 0.03 -0.17 0.00 -2.93 0.00 0.00 61.98 58.97 2w94 s VAL 218 Cb -0.03 -0.39 0.05 0.00 -1.53 0.00 0.00 36.38 34.48 2w94 s VAL 218 CO -0.03 0.01 0.47 -1.58 -3.33 0.00 0.00 175.10 170.65 2w94 s GLN 219 N 0.36 0.58 0.38 1.54 2.00 -0.31 -4.91 119.66 119.31 2w94 s GLN 219 Ca -0.02 0.60 -0.24 0.00 -2.00 0.00 0.00 55.36 53.71 2w94 s GLN 219 Cb -0.03 0.28 -0.10 0.00 0.80 0.00 0.00 33.01 33.96 2w94 s GLN 219 CO -0.01 -0.08 0.97 -2.14 -0.50 0.00 0.00 175.29 173.52 2w94 s PRO 220 N 0.12 4.35 0.05 1.67 0.02 -1.26 -1.11 135.00 138.83 2w94 s PRO 220 Ca -0.01 1.28 0.03 0.00 0.02 0.00 0.00 61.00 62.32 2w94 s PRO 220 Cb -0.03 -2.49 -0.03 0.00 0.02 0.00 0.00 34.50 31.97 2w94 s PRO 220 CO 0.01 0.06 -0.10 0.50 -0.33 0.00 0.00 177.00 177.14 2w94 s ARG 221 N -2.60 0.62 -1.34 5.54 3.52 0.99 -4.88 118.95 120.79 2w94 s ARG 221 Ca 0.57 -0.82 -0.02 0.00 -0.13 0.00 0.00 55.73 55.33 2w94 s ARG 221 Cb -0.15 -0.46 0.01 0.00 -1.56 0.00 0.00 34.95 32.79 2w94 s ARG 221 CO 0.20 0.09 0.71 0.09 -0.81 0.00 0.00 175.30 175.58 2w94 n ASN 222 N 1.40 -1.50 -4.72 -2.12 3.02 -1.26 -0.19 115.26 109.89 2w94 n ASN 222 Ca -0.22 -0.83 -0.42 0.00 -0.03 0.00 0.00 54.58 53.08 2w94 n ASN 222 Cb 0.54 -3.97 -0.03 0.00 -0.61 0.00 0.00 39.78 35.71 2w94 n ASN 222 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2w94 s ILE 223 N -3.65 2.10 0.41 2.41 1.01 -1.26 -4.35 121.20 117.88 2w94 s ILE 223 Ca 0.08 0.06 0.05 0.00 0.00 0.00 0.00 60.65 60.83 2w94 s ILE 223 Cb -0.04 -3.04 -0.02 0.00 0.01 0.00 0.00 42.46 39.38 2w94 s ILE 223 CO 0.82 0.00 0.17 0.35 0.00 0.00 0.00 174.94 176.28 2w94 n THR 224 N 4.03 0.00 0.31 2.92 -2.24 -0.28 -5.01 114.28 114.00 2w94 n THR 224 Ca 0.16 -2.47 0.19 0.00 -2.27 0.00 0.00 64.05 59.66 2w94 n THR 224 Cb 0.36 0.92 0.92 0.00 -2.10 0.00 0.00 70.33 70.43 2w94 n THR 224 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2w94 h THR 225 N 1.74 0.00 0.00 4.28 1.35 -1.88 -3.20 112.91 115.20 2w94 h THR 225 Ca -0.32 -0.23 -0.17 0.00 -0.55 0.00 0.00 66.41 65.15 2w94 h THR 225 Cb 1.26 1.17 -0.03 0.00 -1.73 0.00 0.00 68.15 68.82 2w94 h THR 225 CO 0.50 0.00 -1.99 0.29 -0.25 0.00 0.00 175.52 174.08 2w94 n LYS 226 N -2.97 0.66 -3.20 4.72 5.02 -1.26 -1.52 118.16 119.61 2w94 n LYS 226 Ca -0.01 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 2w94 n LYS 226 Cb 0.17 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 2w94 n LYS 226 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2w94 n GLY 227 N 1.46 -0.84 3.74 0.72 0.00 -1.21 -0.60 105.19 108.46 2w94 n GLY 227 Ca -0.15 -0.78 -0.06 0.00 0.00 0.00 0.00 46.02 45.03 2w94 n GLY 227 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2w94 s PHE 228 N -3.00 -0.21 -0.30 1.61 -0.71 -0.48 -1.13 117.98 113.77 2w94 s PHE 228 Ca 0.00 -0.13 -0.11 0.00 -1.04 0.00 0.00 56.93 55.65 2w94 s PHE 228 Cb 0.00 0.65 -0.04 0.00 -1.21 0.00 0.00 43.02 42.42 2w94 s PHE 228 CO 0.00 -0.96 0.19 -0.51 -1.34 0.00 0.00 175.22 172.60 2w94 s ASP 229 N -2.88 5.90 -0.43 1.98 1.01 0.74 -0.76 116.67 122.23 2w94 s ASP 229 Ca 0.10 -0.18 -0.25 0.00 0.71 0.00 0.00 52.55 52.92 2w94 s ASP 229 Cb -0.03 -2.10 0.02 0.00 1.01 0.00 0.00 42.92 41.83 2w94 s ASP 229 CO 0.02 -0.11 0.92 0.00 0.21 0.00 0.00 175.17 176.21 2w94 s VAL 231 N 3.66 4.09 0.06 0.00 1.01 -0.27 -0.04 120.40 128.90 2w94 s VAL 231 Ca 0.37 -1.21 -0.18 0.00 0.00 0.00 0.00 61.98 60.96 2w94 s VAL 231 Cb -0.11 -3.40 -0.06 0.00 0.00 0.00 0.00 36.38 32.81 2w94 s VAL 231 CO 0.24 -0.33 0.52 -0.36 0.00 0.00 0.00 175.10 175.17 2w94 s PHE 232 N 1.43 3.77 0.12 5.22 0.08 -0.24 -1.16 117.98 127.21 2w94 s PHE 232 Ca 0.01 1.18 -0.14 0.00 0.12 0.00 0.00 56.93 58.10 2w94 s PHE 232 Cb -0.21 -2.43 0.03 0.00 -0.57 0.00 0.00 43.02 39.84 2w94 s PHE 232 CO 0.03 0.59 0.36 1.52 -0.10 0.00 0.00 175.22 177.63 2w94 s TYR 233 N -1.13 -0.10 0.28 0.36 -0.85 -0.47 -0.20 117.35 115.24 2w94 s TYR 233 Ca 0.28 -0.24 0.00 0.00 -0.52 0.00 0.00 57.07 56.59 2w94 s TYR 233 Cb -0.18 0.19 -0.02 0.00 0.38 0.00 0.00 41.96 42.32 2w94 s TYR 233 CO 0.17 -0.68 0.29 -0.08 -1.52 0.00 0.00 175.55 173.73 2w94 s THR 234 N -3.83 0.00 0.06 -3.49 -1.32 -0.94 -1.25 115.64 104.87 2w94 s THR 234 Ca 0.04 -1.85 -0.01 0.00 -1.21 0.00 0.00 61.69 58.66 2w94 s THR 234 Cb 0.02 -2.50 0.00 0.00 -1.51 0.00 0.00 72.50 68.52 2w94 s THR 234 CO -0.11 0.00 0.09 -2.67 -2.21 0.00 0.00 174.62 169.73 2w94 n TRP 235 N -0.47 -0.85 -2.75 9.09 2.14 -1.26 -2.06 117.44 121.28 2w94 n TRP 235 Ca 0.03 -0.33 0.00 0.00 2.07 0.00 0.00 57.50 59.28 2w94 n TRP 235 Cb 0.63 0.11 0.00 0.00 -0.81 0.00 0.00 31.31 31.24 2w94 n TRP 235 CO 0.00 0.00 0.00 -1.71 2.07 0.00 0.00 177.69 178.05 2w94 n ASN 236 N -1.64 0.00 -1.02 -0.67 2.85 -1.26 -2.68 115.26 110.84 2w94 n ASN 236 Ca -0.01 0.00 0.11 0.00 -0.11 0.00 0.00 54.58 54.57 2w94 n ASN 236 Cb 0.09 0.00 0.27 0.00 1.24 0.00 0.00 39.78 41.38 2w94 n ASN 236 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2w94 n GLU 237 N 11.89 2.31 -2.05 1.20 -0.58 -1.26 -0.32 120.64 131.82 2w94 n GLU 237 Ca 0.00 -2.00 -0.41 0.00 -0.42 0.00 0.00 57.16 54.33 2w94 n GLU 237 Cb 0.00 -1.47 -0.02 0.00 -0.57 0.00 0.00 31.44 29.38 2w94 n GLU 237 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2w94 s ASN 238 N -1.32 6.69 -0.22 1.62 -0.87 -1.09 -4.91 114.94 114.85 2w94 s ASN 238 Ca 0.38 2.73 -0.05 0.00 -1.57 0.00 0.00 52.86 54.35 2w94 s ASN 238 Cb 0.21 -2.65 -0.02 0.00 -0.02 0.00 0.00 41.25 38.77 2w94 s ASN 238 CO 0.29 -0.61 0.01 -0.54 -2.57 0.00 0.00 177.10 173.68 2w94 s LYS 239 N -1.56 3.59 -0.22 -0.60 -0.14 -1.26 -4.78 119.74 114.77 2w94 s LYS 239 Ca 0.51 -0.53 -0.02 0.00 -1.36 0.00 0.00 55.97 54.58 2w94 s LYS 239 Cb -0.41 -3.13 0.01 0.00 -1.68 0.00 0.00 37.83 32.62 2w94 s LYS 239 CO 0.52 -0.08 -0.08 0.08 -0.76 0.00 0.00 175.35 175.04 2w94 s VAL 240 N 1.25 2.92 0.03 3.17 1.01 0.03 -1.33 120.40 127.47 2w94 s VAL 240 Ca 0.04 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 61.02 2w94 s VAL 240 Cb -0.15 -2.37 -0.16 0.00 0.00 0.00 0.00 36.38 33.71 2w94 s VAL 240 CO 0.01 0.36 1.32 0.22 0.00 0.00 0.00 175.10 177.00 2w94 h TYR 241 N 8.04 0.39 -2.27 5.22 3.20 -1.46 -2.18 116.97 127.91 2w94 h TYR 241 Ca -0.39 -0.12 0.06 0.00 3.14 0.00 0.00 58.73 61.42 2w94 h TYR 241 Cb 1.14 -0.08 -0.16 0.00 1.54 0.00 0.00 36.73 39.16 2w94 h TYR 241 CO 0.56 0.74 0.41 -1.54 -1.64 0.00 0.00 178.16 176.69 2w94 s SER 242 N -6.11 -0.44 -0.02 -2.11 1.04 -0.94 -0.72 113.70 104.40 2w94 s SER 242 Ca -0.14 0.15 -0.08 0.00 0.48 0.00 0.00 55.95 56.36 2w94 s SER 242 Cb 0.05 0.43 0.01 0.00 0.10 0.00 0.00 66.02 66.61 2w94 s SER 242 CO 0.75 -0.64 0.17 -0.76 0.98 0.00 0.00 173.24 173.73 2w94 s LEU 243 N -2.15 1.42 0.09 2.42 1.43 -1.26 -2.04 118.68 118.59 2w94 s LEU 243 Ca 0.01 -0.03 0.04 0.00 -1.03 0.00 0.00 54.13 53.12 2w94 s LEU 243 Cb -0.01 0.72 -0.03 0.00 0.03 0.00 0.00 46.19 46.90 2w94 s LEU 243 CO -0.06 -0.30 -0.10 -0.60 0.23 0.00 0.00 176.35 175.52 2w94 s ARG 244 N -0.99 0.82 0.05 1.70 3.52 -0.23 -2.07 118.95 121.74 2w94 s ARG 244 Ca -0.11 -1.11 -0.14 0.00 -0.13 0.00 0.00 55.73 54.24 2w94 s ARG 244 Cb -0.06 -0.54 0.02 0.00 -1.56 0.00 0.00 34.95 32.81 2w94 s ARG 244 CO 0.01 0.09 0.31 0.00 -0.81 0.00 0.00 175.30 174.90 2w94 s ALA 245 N -2.26 -0.69 0.20 6.12 0.00 -0.35 -1.47 121.76 123.32 2w94 s ALA 245 Ca 0.04 -0.02 0.09 0.00 0.00 0.00 0.00 51.96 52.07 2w94 s ALA 245 Cb -0.04 0.36 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 2w94 s ALA 245 CO 0.00 -0.44 -0.10 -0.51 0.00 0.00 0.00 175.76 174.72 2w94 s ASP 246 N -2.15 4.18 0.17 0.00 1.01 -0.92 -0.38 116.67 118.58 2w94 s ASP 246 Ca -0.04 -0.65 0.09 0.00 0.71 0.00 0.00 52.55 52.66 2w94 s ASP 246 Cb -0.00 -0.67 -0.04 0.00 1.01 0.00 0.00 42.92 43.21 2w94 s ASP 246 CO -0.04 0.08 -0.18 -0.72 0.21 0.00 0.00 175.17 174.52 2w94 s TYR 247 N -1.86 1.84 -0.15 4.23 1.13 0.29 -2.22 117.35 120.61 2w94 s TYR 247 Ca 0.26 -0.47 -0.02 0.00 -1.41 0.00 0.00 57.07 55.43 2w94 s TYR 247 Cb -0.08 -0.91 0.05 0.00 -1.10 0.00 0.00 41.96 39.92 2w94 s TYR 247 CO 0.15 0.35 0.01 0.42 -2.51 0.00 0.00 175.55 173.97 2w94 s ILE 248 N -2.11 0.60 -0.13 -3.49 1.09 -0.34 -1.48 121.20 115.34 2w94 s ILE 248 Ca 0.17 -0.37 -0.01 0.00 -1.10 0.00 0.00 60.65 59.34 2w94 s ILE 248 Cb -0.05 -0.93 -0.02 0.00 -1.06 0.00 0.00 42.46 40.39 2w94 s ILE 248 CO 0.07 0.00 -0.10 0.00 -0.10 0.00 0.00 174.94 174.81 2w94 s ALA 249 N 1.85 2.77 -0.05 9.38 0.00 0.10 -0.47 121.76 135.33 2w94 s ALA 249 Ca 0.01 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.11 2w94 s ALA 249 Cb -0.15 -1.30 0.02 0.00 0.00 0.00 0.00 23.12 21.69 2w94 s ALA 249 CO -0.07 0.29 -0.06 0.99 0.00 0.00 0.00 175.76 176.91 2w94 s THR 250 N 0.17 0.65 -0.06 0.00 2.01 -0.30 -0.60 115.64 117.51 2w94 s THR 250 Ca -0.05 -0.18 0.02 0.00 0.31 0.00 0.00 61.69 61.78 2w94 s THR 250 Cb -0.15 -0.66 -0.03 0.00 0.01 0.00 0.00 72.50 71.67 2w94 s THR 250 CO 0.04 0.26 -0.08 0.00 -0.69 0.00 0.00 174.62 174.15 2w94 s ALA 251 N 0.96 2.94 -0.04 7.40 0.00 -0.17 -1.06 121.76 131.78 2w94 s ALA 251 Ca -0.10 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 50.92 2w94 s ALA 251 Cb -0.14 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 2w94 s ALA 251 CO 0.00 0.57 0.06 -0.51 0.00 0.00 0.00 175.76 175.89 2w94 s LEU 252 N -0.86 3.85 0.00 0.00 1.43 -1.26 -1.16 118.68 120.68 2w94 s LEU 252 Ca 0.13 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 2w94 s LEU 252 Cb -0.11 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 44.01 2w94 s LEU 252 CO 0.02 0.32 0.00 -0.62 0.23 0.00 0.00 176.35 176.30