#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a57 n PHE 2 N 0.00 0.81 -1.50 0.00 3.01 -1.26 -4.88 117.46 113.63 1a57 n PHE 2 Ca 0.00 0.25 -0.36 0.00 1.01 0.00 0.00 57.45 58.35 1a57 n PHE 2 Cb 0.00 -0.95 -0.17 0.00 -0.01 0.00 0.00 39.48 38.35 1a57 n PHE 2 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1a57 n ASP 3 N -2.71 -0.06 0.00 4.37 5.75 -0.80 -4.61 116.55 118.49 1a57 n ASP 3 Ca -0.06 -0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.71 1a57 n ASP 3 Cb 0.69 -0.85 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 1a57 n ASP 3 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a57 n GLY 4 N 6.26 3.57 3.69 6.12 0.00 -1.20 -5.00 105.19 118.62 1a57 n GLY 4 Ca 0.66 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 46.09 1a57 n GLY 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a57 s THR 5 N -1.27 2.58 -0.03 2.61 -4.23 -1.26 -4.21 115.64 109.83 1a57 s THR 5 Ca 0.00 0.19 -0.01 0.00 -1.18 0.00 0.00 61.69 60.69 1a57 s THR 5 Cb 0.00 -2.56 0.02 0.00 1.34 0.00 0.00 72.50 71.30 1a57 s THR 5 CO 0.00 -0.25 0.06 0.26 -0.54 0.00 0.00 174.62 174.15 1a57 s TRP 6 N -2.83 -0.04 0.36 3.99 0.52 0.23 -4.21 118.94 116.96 1a57 s TRP 6 Ca 0.64 0.18 0.00 0.00 0.02 0.00 0.00 56.10 56.94 1a57 s TRP 6 Cb -0.19 -0.08 0.00 0.00 -1.15 0.00 0.00 33.47 32.05 1a57 s TRP 6 CO 0.58 -0.07 0.00 1.63 0.02 0.00 0.00 176.95 179.11 1a57 n LYS 7 N 3.59 -2.91 -0.04 4.98 5.02 -1.23 0.93 118.16 128.50 1a57 n LYS 7 Ca -0.19 1.97 0.00 0.00 -2.02 0.00 0.00 58.31 58.07 1a57 n LYS 7 Cb 0.55 -3.54 0.00 0.00 -0.02 0.00 0.00 35.03 32.02 1a57 n LYS 7 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1a57 n VAL 8 N -4.20 0.00 0.00 -0.18 0.31 -1.26 -4.62 118.33 108.38 1a57 n VAL 8 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1a57 n VAL 8 Cb 0.67 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.60 1a57 n VAL 8 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1a57 n ASP 9 N 0.88 0.79 -2.39 4.52 2.03 -1.26 -4.67 116.55 116.45 1a57 n ASP 9 Ca 0.00 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.25 1a57 n ASP 9 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 1a57 n ASP 9 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1a57 n ARG 10 N -2.86 0.00 -2.06 -0.67 1.85 -1.26 -4.80 116.66 106.86 1a57 n ARG 10 Ca 0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.43 1a57 n ARG 10 Cb 0.47 -0.56 -0.03 0.00 -1.05 0.00 0.00 32.46 31.29 1a57 n ARG 10 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1a57 s ASN 11 N 0.00 6.71 -0.15 2.89 0.02 -1.26 -4.87 114.94 118.28 1a57 s ASN 11 Ca 0.34 2.45 0.07 0.00 -1.02 0.00 0.00 52.86 54.70 1a57 s ASN 11 Cb -0.22 -2.59 0.43 0.00 0.02 0.00 0.00 41.25 38.89 1a57 s ASN 11 CO 0.15 -0.74 1.24 1.21 0.02 0.00 0.00 177.10 178.98 1a57 n GLU 12 N 4.07 2.87 -2.57 -0.60 2.13 -1.26 -4.78 120.64 120.50 1a57 n GLU 12 Ca 0.13 -1.70 -0.15 0.00 0.66 0.00 0.00 57.16 56.10 1a57 n GLU 12 Cb 0.41 -1.87 0.01 0.00 0.27 0.00 0.00 31.44 30.26 1a57 n GLU 12 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1a57 n ASN 13 N 0.21 -4.58 -0.78 4.31 4.05 -1.26 -4.54 115.26 112.67 1a57 n ASN 13 Ca 0.18 -0.12 0.00 0.00 0.45 0.00 0.00 54.58 55.09 1a57 n ASN 13 Cb 0.83 -3.56 0.00 0.00 1.23 0.00 0.00 39.78 38.28 1a57 n ASN 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1a57 n TYR 14 N -4.08 -2.10 -0.34 1.20 9.36 -1.26 -4.97 117.16 114.97 1a57 n TYR 14 Ca -0.12 1.11 0.00 0.00 3.32 0.00 0.00 57.90 62.21 1a57 n TYR 14 Cb 0.60 -2.30 0.00 0.00 -0.63 0.00 0.00 39.34 37.01 1a57 n TYR 14 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1a57 n SER 15 N -0.59 1.26 0.00 2.98 3.41 -1.26 -5.07 113.62 114.34 1a57 n SER 15 Ca 0.00 -1.60 0.00 0.00 -0.26 0.00 0.00 58.87 57.01 1a57 n SER 15 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1a57 n SER 15 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a57 n GLY 16 N -0.30 1.33 1.22 5.00 0.00 -1.26 -4.42 105.19 106.75 1a57 n GLY 16 Ca 0.00 -0.71 -0.06 0.00 0.00 0.00 0.00 46.02 45.26 1a57 n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a57 n ALA 17 N 0.47 3.58 -2.44 4.61 0.00 -1.26 -5.13 120.51 120.34 1a57 n ALA 17 Ca 0.00 -0.84 -0.26 0.00 0.00 0.00 0.00 53.44 52.34 1a57 n ALA 17 Cb 0.00 -0.41 -0.11 0.00 0.00 0.00 0.00 19.45 18.93 1a57 n ALA 17 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1a57 s HIS 18 N -0.02 2.29 -0.37 0.00 3.76 -1.26 -4.91 115.29 114.78 1a57 s HIS 18 Ca 0.03 -0.35 -0.25 0.00 -0.15 0.00 0.00 55.06 54.34 1a57 s HIS 18 Cb 0.07 -1.07 0.04 0.00 1.11 0.00 0.00 32.58 32.73 1a57 s HIS 18 CO -0.02 0.59 0.50 -0.25 -0.85 0.00 0.00 174.74 174.71 1a57 n ASP 19 N -0.12 -6.43 -3.36 1.40 8.00 -1.26 -4.83 116.55 109.96 1a57 n ASP 19 Ca -0.09 0.20 0.02 0.00 0.71 0.00 0.00 54.79 55.63 1a57 n ASP 19 Cb 0.58 -2.79 -0.03 0.00 -0.02 0.00 0.00 41.12 38.86 1a57 n ASP 19 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1a57 s ASN 20 N -1.68 -1.06 0.00 -2.24 2.47 -1.26 -5.04 114.94 106.12 1a57 s ASN 20 Ca 0.27 1.02 0.00 0.00 0.42 0.00 0.00 52.86 54.57 1a57 s ASN 20 Cb -0.04 2.03 0.00 0.00 -1.45 0.00 0.00 41.25 41.80 1a57 s ASN 20 CO 0.71 -0.20 0.00 0.00 -3.72 0.00 0.00 177.10 173.89 1a57 n LEU 21 N 5.37 0.00 0.00 3.21 -0.00 -1.26 -4.39 117.00 119.93 1a57 n LEU 21 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.94 1a57 n LEU 21 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 1a57 n LEU 21 CO -0.02 0.00 0.00 0.29 -0.00 0.00 0.00 177.39 177.66 1a57 n LYS 22 N 0.00 0.00 -4.53 1.47 5.02 -1.26 -4.48 118.16 114.37 1a57 n LYS 22 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 1a57 n LYS 22 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 34.93 1a57 n LYS 22 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a57 s LEU 23 N -3.04 2.67 0.00 -0.35 1.43 0.26 -4.02 118.68 115.64 1a57 s LEU 23 Ca 0.00 -1.42 0.00 0.00 -1.03 0.00 0.00 54.13 51.68 1a57 s LEU 23 Cb 0.00 -0.95 0.00 0.00 0.03 0.00 0.00 46.19 45.27 1a57 s LEU 23 CO 0.00 -0.68 0.00 0.41 0.23 0.00 0.00 176.35 176.31 1a57 n THR 24 N -1.20 0.00 -2.49 5.49 -1.04 -1.26 0.77 114.28 114.55 1a57 n THR 24 Ca -0.10 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.86 1a57 n THR 24 Cb 0.66 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.13 1a57 n THR 24 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1a57 n ILE 25 N -1.15-12.02 -3.19 12.58 -0.00 -1.24 -3.32 119.36 111.02 1a57 n ILE 25 Ca 0.00 2.52 -0.20 0.00 -0.00 0.00 0.00 62.75 65.07 1a57 n ILE 25 Cb 0.00 -6.30 -0.06 0.00 -0.00 0.00 0.00 39.64 33.27 1a57 n ILE 25 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 1a57 n THR 26 N 1.51 -0.83 0.00 1.39 -1.04 -1.26 -1.90 114.28 112.15 1a57 n THR 26 Ca -0.38 -2.81 0.00 0.00 -2.04 0.00 0.00 64.05 58.82 1a57 n THR 26 Cb 0.58 -0.91 0.00 0.00 -1.82 0.00 0.00 70.33 68.19 1a57 n THR 26 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a57 n GLN 27 N 2.67 0.00 0.00 -2.82 1.13 -1.26 -4.90 117.38 112.20 1a57 n GLN 27 Ca 0.25 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.31 1a57 n GLN 27 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.86 1a57 n GLN 27 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 1a57 n GLU 28 N 0.00 0.41 0.00 -1.09 0.28 -1.26 -4.92 120.64 114.06 1a57 n GLU 28 Ca 0.00 -0.79 0.00 0.00 -0.16 0.00 0.00 57.16 56.21 1a57 n GLU 28 Cb 0.00 -0.95 0.00 0.00 1.43 0.00 0.00 31.44 31.92 1a57 n GLU 28 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1a57 n GLY 29 N -0.16 2.08 0.03 -1.84 0.00 -1.26 -4.79 105.19 99.24 1a57 n GLY 29 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1a57 n GLY 29 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a57 n ASN 30 N 0.00 3.64 -2.10 1.61 3.02 -1.26 -4.94 115.26 115.24 1a57 n ASN 30 Ca 0.00 -0.02 -0.01 0.00 -0.03 0.00 0.00 54.58 54.52 1a57 n ASN 30 Cb 0.00 0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 1a57 n ASN 30 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1a57 n LYS 31 N -2.57 1.10 0.00 3.52 2.85 -1.26 -3.79 118.16 118.01 1a57 n LYS 31 Ca -0.09 -0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.06 1a57 n LYS 31 Cb 0.61 -0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.99 1a57 n LYS 31 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1a57 n PHE 32 N -0.92 0.00 -3.63 5.58 3.72 -1.07 -4.01 117.46 117.12 1a57 n PHE 32 Ca 0.00 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.01 1a57 n PHE 32 Cb 0.02 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.45 1a57 n PHE 32 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1a57 s THR 33 N 0.00 4.51 0.41 4.37 -1.32 -1.26 -2.59 115.64 119.76 1a57 s THR 33 Ca 0.00 -0.72 -0.23 0.00 -1.21 0.00 0.00 61.69 59.53 1a57 s THR 33 Cb 0.00 -3.44 -0.09 0.00 -1.51 0.00 0.00 72.50 67.46 1a57 s THR 33 CO 0.00 -0.12 1.04 -0.69 -2.21 0.00 0.00 174.62 172.65 1a57 s VAL 34 N 1.56 3.77 -0.85 5.08 1.01 0.96 -3.66 120.40 128.28 1a57 s VAL 34 Ca 0.03 1.31 -0.06 0.00 0.00 0.00 0.00 61.98 63.26 1a57 s VAL 34 Cb -0.18 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.56 1a57 s VAL 34 CO 0.06 -0.04 2.79 1.17 0.00 0.00 0.00 175.10 179.08 1a57 n LYS 35 N -0.23 3.30 -1.21 2.72 4.81 -1.26 -2.89 118.16 123.40 1a57 n LYS 35 Ca 0.06 -2.52 -0.40 0.00 -0.87 0.00 0.00 58.31 54.57 1a57 n LYS 35 Cb 0.50 -2.38 -0.04 0.00 0.02 0.00 0.00 35.03 33.13 1a57 n LYS 35 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1a57 n GLU 36 N 1.78 1.89 -2.68 1.64 2.13 -1.25 -4.16 120.64 119.98 1a57 n GLU 36 Ca 0.57 -1.95 -0.41 0.00 0.66 0.00 0.00 57.16 56.02 1a57 n GLU 36 Cb 0.46 -2.93 -0.04 0.00 0.27 0.00 0.00 31.44 29.20 1a57 n GLU 36 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1a57 s SER 37 N 4.39 7.41 0.00 4.31 0.01 -1.26 -4.16 113.70 124.40 1a57 s SER 37 Ca 0.54 1.79 0.00 0.00 1.31 0.00 0.00 55.95 59.58 1a57 s SER 37 Cb 0.14 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.79 1a57 s SER 37 CO 0.06 -0.17 0.00 -1.20 0.41 0.00 0.00 173.24 172.33 1a57 n SER 38 N 3.20 0.29 -3.49 2.44 7.64 -1.26 -4.22 113.62 118.22 1a57 n SER 38 Ca 0.04 -0.21 -0.40 0.00 1.01 0.00 0.00 58.87 59.30 1a57 n SER 38 Cb 0.49 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.72 1a57 n SER 38 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1a57 n ASN 39 N -0.57 7.33 0.00 6.43 4.13 -1.26 -3.77 115.26 127.54 1a57 n ASN 39 Ca 0.00 -3.72 0.00 0.00 1.68 0.00 0.00 54.58 52.54 1a57 n ASN 39 Cb 0.00 -1.14 0.00 0.00 -1.54 0.00 0.00 39.78 37.10 1a57 n ASN 39 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1a57 n PHE 40 N -0.15 0.00 -1.80 3.10 3.72 -1.26 -5.03 117.46 116.03 1a57 n PHE 40 Ca 0.48 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.88 1a57 n PHE 40 Cb 0.26 0.29 0.00 0.00 -0.94 0.00 0.00 39.48 39.09 1a57 n PHE 40 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1a57 n ARG 41 N -2.23 0.00 -0.98 -1.08 3.00 -1.26 -4.97 116.66 109.14 1a57 n ARG 41 Ca 0.00 -0.10 0.00 0.00 -0.01 0.00 0.00 57.85 57.74 1a57 n ARG 41 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 32.46 32.36 1a57 n ARG 41 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1a57 n ASN 42 N 0.00 -3.07 -1.86 0.55 3.02 -1.25 -4.89 115.26 107.75 1a57 n ASN 42 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.34 1a57 n ASN 42 Cb 0.50 -1.06 -0.02 0.00 -0.61 0.00 0.00 39.78 38.60 1a57 n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a57 n ILE 43 N -2.66 0.74 -4.77 2.41 3.06 -1.26 -4.37 119.36 112.51 1a57 n ILE 43 Ca 0.00 -0.19 -0.33 0.00 -2.50 0.00 0.00 62.75 59.73 1a57 n ILE 43 Cb 0.09 0.00 -0.13 0.00 0.54 0.00 0.00 39.64 40.14 1a57 n ILE 43 CO 0.00 0.00 0.00 -1.81 -2.50 0.00 0.00 176.55 172.24 1a57 s ASP 44 N -0.37 4.23 -0.38 9.51 1.11 -1.26 -3.90 116.67 125.61 1a57 s ASP 44 Ca 0.28 -0.17 -0.08 0.00 0.18 0.00 0.00 52.55 52.77 1a57 s ASP 44 Cb -0.41 -1.12 0.06 0.00 1.07 0.00 0.00 42.92 42.52 1a57 s ASP 44 CO 0.24 0.31 0.18 -0.69 1.18 0.00 0.00 175.17 176.39 1a57 s VAL 45 N -0.50 4.03 0.39 -1.27 1.01 -1.14 -4.96 120.40 117.96 1a57 s VAL 45 Ca 0.07 -1.25 0.08 0.00 0.00 0.00 0.00 61.98 60.87 1a57 s VAL 45 Cb -0.12 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 1a57 s VAL 45 CO 0.02 -0.34 0.26 0.54 0.00 0.00 0.00 175.10 175.57 1a57 s VAL 46 N 1.42 2.71 0.03 2.92 0.11 -1.26 -0.02 120.40 126.30 1a57 s VAL 46 Ca 0.01 -1.53 -0.21 0.00 -2.93 0.00 0.00 61.98 57.32 1a57 s VAL 46 Cb -0.21 -3.01 0.07 0.00 -1.53 0.00 0.00 36.38 31.70 1a57 s VAL 46 CO 0.03 -0.06 0.97 2.22 -3.33 0.00 0.00 175.10 174.93 1a57 n PHE 47 N -1.35 -0.59 -2.76 1.54 1.16 -1.07 -4.98 117.46 109.41 1a57 n PHE 47 Ca 0.00 -0.70 -0.03 0.00 -1.87 0.00 0.00 57.45 54.85 1a57 n PHE 47 Cb 0.62 0.33 0.05 0.00 -1.61 0.00 0.00 39.48 38.87 1a57 n PHE 47 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 1a57 n GLU 48 N -0.69 1.85 -2.09 3.97 2.13 -1.26 -2.59 120.64 121.96 1a57 n GLU 48 Ca 0.02 -3.55 0.00 0.00 0.66 0.00 0.00 57.16 54.29 1a57 n GLU 48 Cb 0.46 -1.64 0.00 0.00 0.27 0.00 0.00 31.44 30.53 1a57 n GLU 48 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1a57 n LEU 49 N -0.57 -6.02 -2.90 4.31 4.77 -1.25 -4.68 117.00 110.66 1a57 n LEU 49 Ca 0.10 2.83 -0.16 0.00 -0.03 0.00 0.00 56.01 58.75 1a57 n LEU 49 Cb 0.81 -3.03 0.07 0.00 -2.33 0.00 0.00 43.42 38.94 1a57 n LEU 49 CO 0.11 -2.15 0.14 0.61 -1.33 0.00 0.00 177.39 174.78 1a57 n GLY 50 N 1.72 -0.20 3.06 -0.72 0.00 -0.60 -4.95 105.19 103.50 1a57 n GLY 50 Ca 0.00 0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1a57 n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a57 s VAL 51 N -3.26 3.21 0.47 1.61 1.01 -1.26 -5.00 120.40 117.19 1a57 s VAL 51 Ca 0.23 -2.77 -0.19 0.00 0.00 0.00 0.00 61.98 59.25 1a57 s VAL 51 Cb -0.10 -3.17 -0.09 0.00 0.00 0.00 0.00 36.38 33.02 1a57 s VAL 51 CO 0.57 -0.79 0.98 1.51 0.00 0.00 0.00 175.10 177.37 1a57 s ASP 52 N 0.75 6.71 0.02 3.32 -4.77 -1.26 -4.37 116.67 117.06 1a57 s ASP 52 Ca 0.14 1.67 -0.12 0.00 -3.30 0.00 0.00 52.55 50.94 1a57 s ASP 52 Cb -0.22 -2.53 0.04 0.00 -1.09 0.00 0.00 42.92 39.12 1a57 s ASP 52 CO -0.03 -0.52 0.56 2.22 0.70 0.00 0.00 175.17 178.10 1a57 n PHE 53 N -1.09 -0.45 -3.80 2.11 1.16 -0.24 -4.99 117.46 110.17 1a57 n PHE 53 Ca 0.07 -0.40 -0.30 0.00 -1.87 0.00 0.00 57.45 54.95 1a57 n PHE 53 Cb 0.54 0.19 -0.14 0.00 -1.61 0.00 0.00 39.48 38.45 1a57 n PHE 53 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1a57 s ALA 54 N -1.47 2.06 -0.16 1.98 0.00 -1.26 -2.72 121.76 120.18 1a57 s ALA 54 Ca 0.13 -2.16 -0.05 0.00 0.00 0.00 0.00 51.96 49.88 1a57 s ALA 54 Cb -0.01 -1.79 -0.03 0.00 0.00 0.00 0.00 23.12 21.29 1a57 s ALA 54 CO 0.01 -1.79 0.01 0.71 0.00 0.00 0.00 175.76 174.70 1a57 s TYR 55 N 1.07 3.15 -1.23 0.00 2.02 -1.24 -5.00 117.35 116.12 1a57 s TYR 55 Ca 0.12 -0.08 -0.09 0.00 -0.37 0.00 0.00 57.07 56.66 1a57 s TYR 55 Cb -0.20 -2.00 0.20 0.00 -0.40 0.00 0.00 41.96 39.56 1a57 s TYR 55 CO -0.14 0.10 1.74 0.45 -1.57 0.00 0.00 175.55 176.13 1a57 n SER 56 N 3.40 5.40 0.00 2.29 2.88 -1.26 -2.58 113.62 123.75 1a57 n SER 56 Ca -0.17 -3.17 0.00 0.00 -1.33 0.00 0.00 58.87 54.20 1a57 n SER 56 Cb 0.52 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 1a57 n SER 56 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1a57 n LEU 57 N 3.41 0.00 0.00 2.46 7.94 -1.26 -4.72 117.00 124.83 1a57 n LEU 57 Ca 0.36 0.18 0.00 0.00 -1.11 0.00 0.00 56.01 55.45 1a57 n LEU 57 Cb 0.36 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.31 1a57 n LEU 57 CO 0.78 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 177.06 1a57 n ALA 58 N -1.73 0.00 -2.64 1.96 0.00 -1.26 -4.93 120.51 111.91 1a57 n ALA 58 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1a57 n ALA 58 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1a57 n ALA 58 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1a57 n ASP 59 N 0.00 6.38 0.00 0.00 8.00 -1.26 -4.66 116.55 125.01 1a57 n ASP 59 Ca 0.00 -3.71 0.00 0.00 0.71 0.00 0.00 54.79 51.79 1a57 n ASP 59 Cb 0.00 -0.94 0.00 0.00 -0.02 0.00 0.00 41.12 40.16 1a57 n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a57 n GLY 60 N -0.20 -1.67 0.97 0.44 0.00 -1.26 -5.09 105.19 98.38 1a57 n GLY 60 Ca 0.43 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.99 1a57 n GLY 60 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a57 n THR 61 N 0.00 0.00 -2.03 2.61 -2.24 -1.26 -4.74 114.28 106.62 1a57 n THR 61 Ca 0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 1a57 n THR 61 Cb 0.00 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1a57 n THR 61 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1a57 n GLU 62 N 0.00 -0.42 -1.75 -0.78 2.13 -1.13 -4.20 120.64 114.49 1a57 n GLU 62 Ca 0.00 0.29 -0.22 0.00 0.66 0.00 0.00 57.16 57.89 1a57 n GLU 62 Cb 0.00 -4.09 -0.06 0.00 0.27 0.00 0.00 31.44 27.57 1a57 n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1a57 s LEU 63 N -1.51 3.06 -0.67 4.31 1.02 -1.06 -4.61 118.68 119.21 1a57 s LEU 63 Ca 0.00 -0.02 -0.22 0.00 0.02 0.00 0.00 54.13 53.91 1a57 s LEU 63 Cb 0.00 -2.54 0.08 0.00 0.02 0.00 0.00 46.19 43.74 1a57 s LEU 63 CO 0.00 -3.29 0.94 -0.89 0.02 0.00 0.00 176.35 173.13 1a57 s THR 64 N 12.58 4.42 0.00 5.49 2.01 -1.19 -3.60 115.64 135.34 1a57 s THR 64 Ca 0.84 -0.54 0.00 0.00 0.31 0.00 0.00 61.69 62.31 1a57 s THR 64 Cb -0.11 -4.67 0.00 0.00 0.01 0.00 0.00 72.50 67.73 1a57 s THR 64 CO 0.09 -1.42 0.00 0.61 -0.69 0.00 0.00 174.62 173.21 1a57 n GLY 65 N 5.34 3.24 3.50 4.40 0.00 -1.10 -3.91 105.19 116.65 1a57 n GLY 65 Ca -0.03 -0.54 0.01 0.00 0.00 0.00 0.00 46.02 45.46 1a57 n GLY 65 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1a57 s THR 66 N -1.54 -0.83 -0.22 2.61 -1.32 -1.26 -1.08 115.64 112.01 1a57 s THR 66 Ca 0.00 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.34 1a57 s THR 66 Cb 0.00 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 1a57 s THR 66 CO 0.00 0.00 0.32 0.26 -2.21 0.00 0.00 174.62 172.99 1a57 s TRP 67 N 2.76 3.34 -0.52 9.09 0.23 -1.26 -3.82 118.94 128.77 1a57 s TRP 67 Ca -0.02 0.47 -0.02 0.00 -2.03 0.00 0.00 56.10 54.50 1a57 s TRP 67 Cb -0.10 -2.45 0.14 0.00 0.03 0.00 0.00 33.47 31.08 1a57 s TRP 67 CO -0.18 -0.00 0.31 0.95 0.96 0.00 0.00 176.95 178.98 1a57 s THR 68 N 1.29 3.41 -0.97 2.01 -4.23 -0.60 -1.56 115.64 114.99 1a57 s THR 68 Ca 0.15 -2.58 -0.24 0.00 -1.18 0.00 0.00 61.69 57.84 1a57 s THR 68 Cb -0.14 -3.28 -0.05 0.00 1.34 0.00 0.00 72.50 70.37 1a57 s THR 68 CO 0.07 -0.78 1.90 -0.32 -0.54 0.00 0.00 174.62 174.95 1a57 s MET 69 N 0.47 2.64 -1.11 3.99 1.75 -1.26 -3.52 119.30 122.26 1a57 s MET 69 Ca 0.13 -0.53 -0.12 0.00 -1.25 0.00 0.00 55.69 53.92 1a57 s MET 69 Cb -0.22 -5.12 0.22 0.00 2.84 0.00 0.00 34.83 32.55 1a57 s MET 69 CO -0.04 -3.38 1.22 -2.00 -0.65 0.00 0.00 175.02 170.17 1a57 s GLU 70 N 6.72 4.06 2.57 4.11 2.12 0.87 -4.87 118.70 134.28 1a57 s GLU 70 Ca 0.68 -2.78 0.00 0.00 0.36 0.00 0.00 54.97 53.23 1a57 s GLU 70 Cb -0.05 -4.78 0.00 0.00 0.26 0.00 0.00 34.13 29.56 1a57 s GLU 70 CO 0.01 -1.50 0.00 0.41 -0.54 0.00 0.00 175.26 173.64 1a57 n GLY 71 N 3.61 0.46 1.83 -1.50 0.00 -1.26 -0.65 105.19 107.68 1a57 n GLY 71 Ca 0.28 0.60 -0.20 0.00 0.00 0.00 0.00 46.02 46.70 1a57 n GLY 71 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1a57 n ASN 72 N 4.66 4.70 -3.94 1.61 0.23 -1.26 -4.94 115.26 116.33 1a57 n ASN 72 Ca 0.00 -3.77 -0.09 0.00 -0.53 0.00 0.00 54.58 50.19 1a57 n ASN 72 Cb 0.00 -0.67 -0.10 0.00 -2.08 0.00 0.00 39.78 36.93 1a57 n ASN 72 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1a57 s LYS 73 N -3.51 0.55 -0.21 -3.83 3.01 0.18 -3.64 119.74 112.28 1a57 s LYS 73 Ca 0.53 -0.73 0.20 0.00 -1.01 0.00 0.00 55.97 54.96 1a57 s LYS 73 Cb 0.44 0.21 0.48 0.00 -1.01 0.00 0.00 37.83 37.95 1a57 s LYS 73 CO 0.02 -0.13 1.14 1.28 0.51 0.00 0.00 175.35 178.17 1a57 n LEU 74 N 0.89 2.18 -4.74 3.17 4.77 0.44 -0.09 117.00 123.61 1a57 n LEU 74 Ca -0.20 -3.21 -0.37 0.00 -0.03 0.00 0.00 56.01 52.21 1a57 n LEU 74 Cb 0.58 0.16 0.05 0.00 -2.33 0.00 0.00 43.42 41.88 1a57 n LEU 74 CO 0.23 1.16 0.88 -0.69 -1.33 0.00 0.00 177.39 177.64 1a57 s VAL 75 N -3.16 2.31 -5.00 4.08 1.01 -1.23 -4.22 120.40 114.19 1a57 s VAL 75 Ca 0.34 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1a57 s VAL 75 Cb 0.35 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.65 1a57 s VAL 75 CO -0.05 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.62 1a57 n GLY 76 N 0.71 -0.23 0.00 4.51 0.00 -1.26 -1.56 105.19 107.36 1a57 n GLY 76 Ca 0.14 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1a57 n GLY 76 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1a57 n LYS 77 N 0.00 0.00 -4.81 1.61 4.81 -1.25 -4.68 118.16 113.84 1a57 n LYS 77 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.14 1a57 n LYS 77 Cb 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 34.91 1a57 n LYS 77 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1a57 s PHE 78 N 0.00 2.29 0.02 5.64 0.40 -1.26 -3.54 117.98 121.54 1a57 s PHE 78 Ca 0.00 -0.41 0.01 0.00 -0.60 0.00 0.00 56.93 55.93 1a57 s PHE 78 Cb 0.00 -1.35 -0.02 0.00 0.51 0.00 0.00 43.02 42.16 1a57 s PHE 78 CO 0.00 0.16 -0.04 0.21 0.70 0.00 0.00 175.22 176.25 1a57 s LYS 79 N -1.37 0.33 -0.29 0.44 2.20 -1.25 -0.81 119.74 118.99 1a57 s LYS 79 Ca 0.12 -0.52 0.08 0.00 -0.36 0.00 0.00 55.97 55.29 1a57 s LYS 79 Cb -0.10 -0.07 0.67 0.00 -1.51 0.00 0.00 37.83 36.82 1a57 s LYS 79 CO 0.03 -0.00 1.69 0.54 -0.36 0.00 0.00 175.35 177.25 1a57 n ARG 80 N 1.90 3.44 0.00 4.03 1.74 0.20 -3.14 116.66 124.84 1a57 n ARG 80 Ca -0.21 -2.72 0.00 0.00 -0.77 0.00 0.00 57.85 54.15 1a57 n ARG 80 Cb 0.56 -2.12 0.00 0.00 -1.02 0.00 0.00 32.46 29.88 1a57 n ARG 80 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1a57 n VAL 81 N -0.09 0.00 -0.24 1.55 0.24 -1.26 0.45 118.33 118.99 1a57 n VAL 81 Ca 0.36 0.00 0.32 0.00 -2.04 0.00 0.00 64.34 62.98 1a57 n VAL 81 Cb 1.28 0.00 0.65 0.00 -1.47 0.00 0.00 33.84 34.30 1a57 n VAL 81 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1a57 h ASP 82 N 0.00 0.00 0.00 -1.34 3.58 -1.89 -3.39 116.42 113.38 1a57 h ASP 82 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1a57 h ASP 82 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1a57 h ASP 82 CO 0.00 0.00 0.00 -0.46 -2.88 0.00 0.00 179.24 175.90 1a57 n ASN 83 N -3.69 0.00 -0.12 2.28 0.23 0.17 -4.99 115.26 109.14 1a57 n ASN 83 Ca 0.23 -0.01 -0.25 0.00 -0.53 0.00 0.00 54.58 54.02 1a57 n ASN 83 Cb 1.30 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.89 1a57 n ASN 83 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1a57 n GLY 84 N 0.00 -0.47 3.49 4.83 0.00 -1.06 -5.06 105.19 106.91 1a57 n GLY 84 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1a57 n GLY 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1a57 n LYS 85 N -3.92 0.00 -1.92 1.61 3.00 -1.25 -4.87 118.16 110.81 1a57 n LYS 85 Ca -0.48 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.41 1a57 n LYS 85 Cb 0.91 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.91 1a57 n LYS 85 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1a57 s GLU 86 N 0.00 4.21 -0.33 1.64 2.02 -1.26 0.61 118.70 125.59 1a57 s GLU 86 Ca 0.00 2.40 0.17 0.00 0.02 0.00 0.00 54.97 57.56 1a57 s GLU 86 Cb 0.00 -3.10 0.46 0.00 0.10 0.00 0.00 34.13 31.59 1a57 s GLU 86 CO 0.00 -0.54 0.98 1.28 0.02 0.00 0.00 175.26 177.00 1a57 n LEU 87 N 2.82 1.90 -4.39 1.80 4.32 0.01 -3.86 117.00 119.60 1a57 n LEU 87 Ca 0.09 -3.87 -0.29 0.00 -0.02 0.00 0.00 56.01 51.92 1a57 n LEU 87 Cb 0.39 0.31 0.27 0.00 -1.62 0.00 0.00 43.42 42.77 1a57 n LEU 87 CO 0.62 1.62 0.46 -0.63 -1.22 0.00 0.00 177.39 178.23 1a57 s ILE 88 N -3.49 1.58 -0.35 -0.08 1.01 -1.08 -4.47 121.20 114.32 1a57 s ILE 88 Ca 0.30 0.00 0.14 0.00 0.00 0.00 0.00 60.65 61.09 1a57 s ILE 88 Cb 0.44 -2.08 0.40 0.00 0.01 0.00 0.00 42.46 41.23 1a57 s ILE 88 CO 0.01 0.00 0.85 0.00 0.00 0.00 0.00 174.94 175.79 1a57 n ALA 89 N -5.30 2.80 -1.56 9.38 0.00 -1.24 -3.67 120.51 120.91 1a57 n ALA 89 Ca 0.08 -3.33 -0.47 0.00 0.00 0.00 0.00 53.44 49.72 1a57 n ALA 89 Cb 0.57 -0.92 -0.05 0.00 0.00 0.00 0.00 19.45 19.06 1a57 n ALA 89 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1a57 n VAL 90 N 0.09 0.35 -3.69 0.00 0.31 0.38 -4.32 118.33 111.44 1a57 n VAL 90 Ca 0.18 -0.31 -0.10 0.00 -0.01 0.00 0.00 64.34 64.11 1a57 n VAL 90 Cb 0.73 -2.09 -0.05 0.00 -0.91 0.00 0.00 33.84 31.51 1a57 n VAL 90 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1a57 s ARG 91 N 5.78 1.01 -0.27 5.55 3.52 -1.26 -1.73 118.95 131.55 1a57 s ARG 91 Ca 1.02 -0.78 -0.22 0.00 -0.13 0.00 0.00 55.73 55.62 1a57 s ARG 91 Cb -0.60 0.44 0.08 0.00 -1.56 0.00 0.00 34.95 33.31 1a57 s ARG 91 CO 0.44 -0.38 0.74 -1.83 -0.81 0.00 0.00 175.30 173.46 1a57 s GLU 92 N -3.82 0.76 0.03 5.12 -1.05 -1.26 0.17 118.70 118.64 1a57 s GLU 92 Ca 0.04 1.04 -0.30 0.00 -0.15 0.00 0.00 54.97 55.59 1a57 s GLU 92 Cb 0.03 0.30 -0.07 0.00 -0.44 0.00 0.00 34.13 33.95 1a57 s GLU 92 CO -0.12 -0.11 1.55 0.42 0.95 0.00 0.00 175.26 177.95 1a57 s ILE 93 N 0.82 3.38 -0.03 1.83 -1.09 -1.24 -3.94 121.20 120.92 1a57 s ILE 93 Ca -0.03 0.76 -0.02 0.00 -2.23 0.00 0.00 60.65 59.12 1a57 s ILE 93 Cb -0.05 -3.49 -0.01 0.00 -1.58 0.00 0.00 42.46 37.33 1a57 s ILE 93 CO -0.07 -0.01 0.17 -1.28 -1.23 0.00 0.00 174.94 172.52 1a57 h SER 94 N 8.27 -0.07 -0.22 3.58 0.87 0.91 -3.47 113.55 123.41 1a57 h SER 94 Ca -0.40 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.14 1a57 h SER 94 Cb 1.19 0.02 -0.15 0.00 -0.44 0.00 0.00 62.40 63.02 1a57 h SER 94 CO 0.92 0.14 -0.15 0.61 -0.53 0.00 0.00 176.83 177.82 1a57 n GLY 95 N 1.46 -1.56 2.01 5.77 0.00 -1.26 -4.87 105.19 106.73 1a57 n GLY 95 Ca -0.01 1.14 -0.01 0.00 0.00 0.00 0.00 46.02 47.14 1a57 n GLY 95 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1a57 n ASN 96 N 2.41 -1.57 -3.62 1.61 5.15 -1.26 -5.01 115.26 112.97 1a57 n ASN 96 Ca 0.10 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.99 1a57 n ASN 96 Cb 0.65 -0.62 -0.06 0.00 -0.53 0.00 0.00 39.78 39.21 1a57 n ASN 96 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 1a57 s GLU 97 N -3.59 0.50 -0.14 1.20 4.04 -1.26 -4.07 118.70 115.38 1a57 s GLU 97 Ca 0.00 0.45 -0.05 0.00 0.04 0.00 0.00 54.97 55.41 1a57 s GLU 97 Cb 0.00 0.24 -0.03 0.00 0.02 0.00 0.00 34.13 34.36 1a57 s GLU 97 CO 0.00 -0.09 0.02 -1.17 -1.84 0.00 0.00 175.26 172.17 1a57 s LEU 98 N -0.15 3.59 -0.02 1.83 0.20 -1.26 0.14 118.68 123.01 1a57 s LEU 98 Ca 0.02 0.05 -0.03 0.00 0.69 0.00 0.00 54.13 54.86 1a57 s LEU 98 Cb -0.04 -1.87 -0.02 0.00 -0.43 0.00 0.00 46.19 43.84 1a57 s LEU 98 CO -0.05 0.24 0.29 0.40 -0.29 0.00 0.00 176.35 176.94 1a57 h ILE 99 N 4.72 0.00 -3.64 6.68 2.04 -1.86 -3.24 117.51 122.22 1a57 h ILE 99 Ca -0.40 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1a57 h ILE 99 Cb 1.18 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1a57 h ILE 99 CO 0.63 0.00 -0.36 1.67 0.00 0.00 0.00 178.15 180.09 1a57 n GLN 100 N -2.94 -1.17 -4.16 2.37 7.27 -1.26 -4.13 117.38 113.35 1a57 n GLN 100 Ca -0.01 1.26 -0.34 0.00 0.07 0.00 0.00 57.00 57.98 1a57 n GLN 100 Cb 0.04 -2.31 -0.14 0.00 2.41 0.00 0.00 30.24 30.24 1a57 n GLN 100 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1a57 s THR 101 N -0.41 3.50 0.24 1.69 2.01 -0.70 -4.24 115.64 117.73 1a57 s THR 101 Ca -0.03 -0.47 -0.07 0.00 0.31 0.00 0.00 61.69 61.43 1a57 s THR 101 Cb 0.00 -2.56 -0.06 0.00 0.01 0.00 0.00 72.50 69.89 1a57 s THR 101 CO 0.24 0.45 0.53 -0.31 -0.69 0.00 0.00 174.62 174.84 1a57 s TYR 102 N 1.03 3.45 -0.45 4.92 2.02 -1.26 0.14 117.35 127.20 1a57 s TYR 102 Ca 0.01 0.74 0.07 0.00 -0.37 0.00 0.00 57.07 57.52 1a57 s TYR 102 Cb -0.15 -2.17 0.25 0.00 -0.40 0.00 0.00 41.96 39.49 1a57 s TYR 102 CO 0.00 0.25 0.57 2.41 -1.57 0.00 0.00 175.55 177.21 1a57 n THR 103 N -0.42 0.06 -3.09 -0.71 -1.04 -1.24 -3.93 114.28 103.91 1a57 n THR 103 Ca -0.01 -4.30 -0.40 0.00 -2.04 0.00 0.00 64.05 57.30 1a57 n THR 103 Cb 0.53 -1.99 -0.06 0.00 -1.82 0.00 0.00 70.33 66.99 1a57 n THR 103 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1a57 s TYR 104 N -1.47 3.32 0.00 -1.42 5.04 -1.16 -4.35 117.35 117.31 1a57 s TYR 104 Ca 0.36 0.90 0.00 0.00 -2.44 0.00 0.00 57.07 55.89 1a57 s TYR 104 Cb 0.16 -2.85 0.00 0.00 0.35 0.00 0.00 41.96 39.62 1a57 s TYR 104 CO -0.09 -0.27 0.00 0.39 -1.34 0.00 0.00 175.55 174.24 1a57 n GLU 105 N 5.47 0.00 -2.36 4.97 1.02 -1.26 -1.76 120.64 126.72 1a57 n GLU 105 Ca -0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.12 1a57 n GLU 105 Cb 0.49 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.97 1a57 n GLU 105 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a57 n GLY 106 N 0.00 1.63 3.04 0.62 0.00 -1.26 -5.09 105.19 104.13 1a57 n GLY 106 Ca 0.00 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 1a57 n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a57 s VAL 107 N -1.23 0.46 -0.29 1.61 1.01 -0.72 -5.12 120.40 116.12 1a57 s VAL 107 Ca 0.17 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.15 1a57 s VAL 107 Cb 0.34 -0.54 0.08 0.00 0.00 0.00 0.00 36.38 36.26 1a57 s VAL 107 CO -0.09 -0.38 0.01 -1.61 0.00 0.00 0.00 175.10 173.03 1a57 s GLU 108 N -1.50 1.43 -0.21 2.72 8.01 -1.26 -2.98 118.70 124.91 1a57 s GLU 108 Ca -0.11 -1.36 0.15 0.00 0.01 0.00 0.00 54.97 53.66 1a57 s GLU 108 Cb -0.10 -2.71 -0.23 0.00 -4.31 0.00 0.00 34.13 26.78 1a57 s GLU 108 CO 0.00 -0.80 0.01 0.00 0.01 0.00 0.00 175.26 174.48 1a57 n ALA 109 N 4.54 1.49 -0.34 5.21 0.00 -1.25 -4.93 120.51 125.22 1a57 n ALA 109 Ca -0.04 -1.28 0.00 0.00 0.00 0.00 0.00 53.44 52.11 1a57 n ALA 109 Cb 0.43 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.72 1a57 n ALA 109 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1a57 n LYS 110 N -2.85 0.00 -1.67 0.00 2.85 -1.26 -4.69 118.16 110.54 1a57 n LYS 110 Ca -0.36 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 56.90 1a57 n LYS 110 Cb 1.12 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.50 1a57 n LYS 110 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1a57 n ARG 111 N 0.00 -0.45 -1.07 -1.58 1.74 -1.26 -4.77 116.66 109.27 1a57 n ARG 111 Ca 0.00 0.79 -0.31 0.00 -0.77 0.00 0.00 57.85 57.56 1a57 n ARG 111 Cb 0.00 -1.67 0.12 0.00 -1.02 0.00 0.00 32.46 29.89 1a57 n ARG 111 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1a57 s ILE 112 N -0.38 2.72 0.00 0.55 -4.36 -1.26 -4.87 121.20 113.60 1a57 s ILE 112 Ca 0.01 0.25 0.00 0.00 -0.26 0.00 0.00 60.65 60.64 1a57 s ILE 112 Cb -0.00 -2.55 0.00 0.00 1.25 0.00 0.00 42.46 41.16 1a57 s ILE 112 CO 0.10 -0.29 0.00 0.49 0.24 0.00 0.00 174.94 175.48 1a57 n PHE 113 N -3.70 0.00 -0.19 1.37 3.01 -1.22 -5.06 117.46 111.67 1a57 n PHE 113 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.57 1a57 n PHE 113 Cb 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 1a57 n PHE 113 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 1a57 n LYS 114 N 0.00 0.00 -4.18 -1.08 0.00 -1.26 -4.56 118.16 107.09 1a57 n LYS 114 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.16 1a57 n LYS 114 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 35.03 34.92 1a57 n LYS 114 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1a57 s LYS 115 N 4.60 0.84 0.00 -1.58 2.20 -1.26 -3.48 119.74 121.06 1a57 s LYS 115 Ca 0.00 -1.11 0.28 0.00 -0.36 0.00 0.00 55.97 54.79 1a57 s LYS 115 Cb 0.00 -0.61 1.11 0.00 -1.51 0.00 0.00 37.83 36.83 1a57 s LYS 115 CO 0.00 0.11 1.78 -1.91 -0.36 0.00 0.00 175.35 174.97