#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 0.00 -1.53 0.00 3.01 -1.26 -4.87 117.46 112.81 1a57 n PHE 2 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 1a57 n PHE 2 Cb 0.00 -0.16 -0.05 0.00 -0.01 0.00 0.00 39.48 39.26 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 -0.82 2.29 0.00 4.37 5.68 -1.25 -4.44 116.55 122.38 1a57 n ASP 3 Ca 0.13 -0.05 0.00 0.00 -0.50 0.00 0.00 54.79 54.37 1a57 n ASP 3 Cb 0.32 -1.43 0.00 0.00 -1.14 0.00 0.00 41.12 38.86 1a57 n ASP 3 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a57 n GLY 4 N 6.13 2.80 3.86 6.12 0.00 -1.10 -5.00 105.19 118.01 1a57 n GLY 4 Ca 0.39 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.00 3.67 0.17 2.61 -4.23 -1.26 -4.11 115.64 110.48 1a57 s THR 5 Ca 0.00 0.54 0.03 0.00 -1.18 0.00 0.00 61.69 61.08 1a57 s THR 5 Cb 0.00 -3.47 -0.05 0.00 1.34 0.00 0.00 72.50 70.32 1a57 s THR 5 CO 0.00 -0.71 -0.05 0.26 -0.54 0.00 0.00 174.62 173.58 1a57 s TRP 6 N -3.27 1.27 0.16 3.99 0.52 -0.29 -4.24 118.94 117.09 1a57 s TRP 6 Ca 0.58 -0.88 0.00 0.00 0.02 0.00 0.00 56.10 55.82 1a57 s TRP 6 Cb -0.12 -0.69 0.00 0.00 -1.15 0.00 0.00 33.47 31.51 1a57 s TRP 6 CO 0.53 -0.04 0.00 1.63 0.02 0.00 0.00 176.95 179.08 1a57 n LYS 7 N -0.24 -1.40 0.00 4.98 5.02 0.15 -2.64 118.16 124.03 1a57 n LYS 7 Ca -0.08 0.93 0.00 0.00 -2.02 0.00 0.00 58.31 57.14 1a57 n LYS 7 Cb 0.62 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 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 -2.34 0.00 -3.15 -0.18 0.31 -1.26 -4.27 118.33 107.44 1a57 n VAL 8 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.37 1a57 n VAL 8 Cb 0.58 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.51 1a57 n VAL 8 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1a57 s ASP 9 N 0.00 -1.47 -0.28 4.52 2.15 -1.26 -4.79 116.67 115.53 1a57 s ASP 9 Ca 0.00 -0.05 -0.28 0.00 0.43 0.00 0.00 52.55 52.64 1a57 s ASP 9 Cb 0.00 1.91 0.19 0.00 -0.30 0.00 0.00 42.92 44.72 1a57 s ASP 9 CO 0.00 -0.24 1.37 -0.60 -0.17 0.00 0.00 175.17 175.52 1a57 s ARG 10 N 2.59 0.08 0.30 4.34 3.52 -1.26 -5.07 118.95 123.45 1a57 s ARG 10 Ca 0.13 0.03 0.00 0.00 -0.13 0.00 0.00 55.73 55.76 1a57 s ARG 10 Cb -0.08 0.04 0.00 0.00 -1.56 0.00 0.00 34.95 33.35 1a57 s ARG 10 CO -0.21 -0.02 0.00 -1.71 -0.81 0.00 0.00 175.30 172.55 1a57 n ASN 11 N 0.75 -3.93 -4.23 -2.12 2.85 -1.26 -4.78 115.26 102.54 1a57 n ASN 11 Ca -0.02 0.79 -0.42 0.00 -0.11 0.00 0.00 54.58 54.81 1a57 n ASN 11 Cb 0.58 -2.29 -0.06 0.00 1.24 0.00 0.00 39.78 39.25 1a57 n ASN 11 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1a57 s GLU 12 N -3.98 3.00 -0.07 1.20 0.41 -1.26 -5.05 118.70 112.95 1a57 s GLU 12 Ca 0.00 -2.30 -0.16 0.00 -0.41 0.00 0.00 54.97 52.10 1a57 s GLU 12 Cb 0.00 -4.10 -0.05 0.00 -1.78 0.00 0.00 34.13 28.20 1a57 s GLU 12 CO 0.00 -1.24 0.43 -0.80 -0.49 0.00 0.00 175.26 173.17 1a57 s ASN 13 N 1.88 6.72 0.02 -0.19 0.02 -1.26 -4.95 114.94 117.18 1a57 s ASN 13 Ca 0.14 0.85 0.26 0.00 -1.02 0.00 0.00 52.86 53.09 1a57 s ASN 13 Cb -0.18 -2.26 0.61 0.00 0.02 0.00 0.00 41.25 39.44 1a57 s ASN 13 CO -0.05 0.14 1.50 0.00 0.02 0.00 0.00 177.10 178.71 1a57 n TYR 14 N 2.90 0.11 -3.61 2.20 4.11 -1.26 -4.85 117.16 116.76 1a57 n TYR 14 Ca -0.10 0.03 -0.13 0.00 -0.00 0.00 0.00 57.90 57.69 1a57 n TYR 14 Cb 0.52 -0.38 -0.07 0.00 -0.00 0.00 0.00 39.34 39.41 1a57 n TYR 14 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 1a57 s SER 15 N -3.24 -0.65 -0.08 9.48 1.04 -1.26 -5.03 113.70 113.97 1a57 s SER 15 Ca 0.11 1.13 0.12 0.00 0.48 0.00 0.00 55.95 57.78 1a57 s SER 15 Cb 0.17 1.11 0.18 0.00 0.10 0.00 0.00 66.02 67.57 1a57 s SER 15 CO 0.67 -0.30 1.07 0.61 0.98 0.00 0.00 173.24 176.28 1a57 n GLY 16 N 2.15 3.22 2.55 7.32 0.00 -1.26 -4.93 105.19 114.24 1a57 n GLY 16 Ca -0.14 -0.69 -0.14 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.91 -0.21 -3.36 4.61 0.00 -1.26 -2.31 120.51 117.07 1a57 n ALA 17 Ca 0.10 0.22 -0.18 0.00 0.00 0.00 0.00 53.44 53.58 1a57 n ALA 17 Cb 0.62 -1.65 0.07 0.00 0.00 0.00 0.00 19.45 18.49 1a57 n ALA 17 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1a57 n HIS 18 N -2.45 -2.33 -0.06 0.00 8.25 -1.26 -4.97 115.22 112.41 1a57 n HIS 18 Ca -0.14 0.80 -0.11 0.00 -0.26 0.00 0.00 57.72 58.01 1a57 n HIS 18 Cb 0.52 -4.13 -0.04 0.00 1.12 0.00 0.00 29.99 27.47 1a57 n HIS 18 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1a57 n ASP 19 N -3.12 1.34 0.00 0.41 9.92 -0.98 -4.93 116.55 119.19 1a57 n ASP 19 Ca -0.11 0.22 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 1a57 n ASP 19 Cb 0.62 -0.52 0.00 0.00 -0.64 0.00 0.00 41.12 40.59 1a57 n ASP 19 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1a57 n ASN 20 N -3.87 0.00 -3.88 -2.24 0.23 -1.26 -4.51 115.26 99.72 1a57 n ASN 20 Ca -0.20 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 53.73 1a57 n ASN 20 Cb 0.52 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 38.08 1a57 n ASN 20 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1a57 s LEU 21 N 0.00 2.02 -0.00 -4.53 1.02 -1.26 -4.67 118.68 111.26 1a57 s LEU 21 Ca 0.00 -0.04 -0.29 0.00 0.02 0.00 0.00 54.13 53.82 1a57 s LEU 21 Cb 0.00 0.00 0.08 0.00 0.02 0.00 0.00 46.19 46.29 1a57 s LEU 21 CO 0.00 -0.02 0.72 -1.59 0.02 0.00 0.00 176.35 175.48 1a57 s LYS 22 N -0.11 1.04 0.49 1.70 -2.85 -1.26 -4.38 119.74 114.37 1a57 s LYS 22 Ca -0.01 0.00 0.05 0.00 -1.00 0.00 0.00 55.97 55.01 1a57 s LYS 22 Cb -0.01 0.49 -0.00 0.00 -2.06 0.00 0.00 37.83 36.24 1a57 s LYS 22 CO -0.00 -0.38 0.22 -0.51 0.10 0.00 0.00 175.35 174.78 1a57 s LEU 23 N -1.71 2.71 0.00 2.77 1.43 -1.08 -2.55 118.68 120.25 1a57 s LEU 23 Ca -0.05 -1.31 0.00 0.00 -1.03 0.00 0.00 54.13 51.73 1a57 s LEU 23 Cb -0.00 -1.13 0.00 0.00 0.03 0.00 0.00 46.19 45.08 1a57 s LEU 23 CO 0.01 -0.86 0.00 0.41 0.23 0.00 0.00 176.35 176.14 1a57 n THR 24 N -1.46 0.00 -0.49 5.49 -1.04 -1.26 -1.14 114.28 114.39 1a57 n THR 24 Ca -0.07 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.95 1a57 n THR 24 Cb 0.65 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.16 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 -0.83 -0.81 -2.72 12.58 -0.00 -1.25 -3.56 119.36 122.76 1a57 n ILE 25 Ca 0.00 0.43 -0.06 0.00 -0.00 0.00 0.00 62.75 63.12 1a57 n ILE 25 Cb 0.00 -0.71 0.05 0.00 -0.00 0.00 0.00 39.64 38.98 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 -2.01 0.00 -1.65 1.39 -1.04 -1.26 -2.69 114.28 107.02 1a57 n THR 26 Ca -0.01 -1.07 -0.54 0.00 -2.04 0.00 0.00 64.05 60.40 1a57 n THR 26 Cb 0.16 1.24 -0.06 0.00 -1.82 0.00 0.00 70.33 69.85 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 1.83 1.27 0.00 -2.82 0.00 -1.26 -4.78 117.38 111.62 1a57 n GLN 27 Ca 0.08 0.46 0.00 0.00 0.00 0.00 0.00 57.00 57.54 1a57 n GLN 27 Cb 0.65 -2.14 0.00 0.00 0.00 0.00 0.00 30.24 28.75 1a57 n GLN 27 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1a57 n GLU 28 N 4.00 0.00 -3.84 2.61 -0.58 0.14 -4.90 120.64 118.06 1a57 n GLU 28 Ca 0.22 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.61 1a57 n GLU 28 Cb 0.18 0.00 -0.12 0.00 -0.57 0.00 0.00 31.44 30.92 1a57 n GLU 28 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1a57 s GLY 29 N 0.00 1.96 -1.39 0.62 0.00 -1.26 -4.54 107.32 102.70 1a57 s GLY 29 Ca 0.00 -2.48 -0.08 0.00 0.00 0.00 0.00 44.72 42.17 1a57 s GLY 29 CO 0.00 0.98 0.98 0.70 0.00 0.00 0.00 173.10 175.76 1a57 n ASN 30 N 4.52 -4.05 -3.53 1.64 5.03 -1.26 -4.92 115.26 112.69 1a57 n ASN 30 Ca -0.02 -0.71 -0.04 0.00 0.87 0.00 0.00 54.58 54.68 1a57 n ASN 30 Cb 0.42 -4.38 -0.06 0.00 -1.02 0.00 0.00 39.78 34.73 1a57 n ASN 30 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1a57 s LYS 31 N -6.24 0.44 0.32 3.52 2.20 -1.26 -0.80 119.74 117.93 1a57 s LYS 31 Ca 0.41 1.08 0.04 0.00 -0.36 0.00 0.00 55.97 57.14 1a57 s LYS 31 Cb -0.20 0.41 -0.06 0.00 -1.51 0.00 0.00 37.83 36.47 1a57 s LYS 31 CO 0.79 -0.35 0.05 -0.59 -0.36 0.00 0.00 175.35 174.89 1a57 s PHE 32 N 2.73 1.97 -0.02 4.03 -0.71 -1.25 0.23 117.98 124.96 1a57 s PHE 32 Ca 0.03 -0.95 0.00 0.00 -1.04 0.00 0.00 56.93 54.97 1a57 s PHE 32 Cb -0.13 -1.29 0.02 0.00 -1.21 0.00 0.00 43.02 40.42 1a57 s PHE 32 CO -0.16 0.02 0.02 -0.08 -1.34 0.00 0.00 175.22 173.68 1a57 s THR 33 N -3.28 -0.02 -0.05 -4.49 -1.32 -1.26 -3.34 115.64 101.88 1a57 s THR 33 Ca 0.36 0.15 -0.18 0.00 -1.21 0.00 0.00 61.69 60.82 1a57 s THR 33 Cb 0.09 -0.08 -0.05 0.00 -1.51 0.00 0.00 72.50 70.94 1a57 s THR 33 CO 0.15 0.07 0.49 -0.69 -2.21 0.00 0.00 174.62 172.43 1a57 s VAL 34 N 0.80 5.05 -0.92 5.08 1.01 -1.26 -3.95 120.40 126.21 1a57 s VAL 34 Ca -0.07 1.00 0.14 0.00 0.00 0.00 0.00 61.98 63.05 1a57 s VAL 34 Cb -0.10 -3.81 0.13 0.00 0.00 0.00 0.00 36.38 32.59 1a57 s VAL 34 CO -0.02 0.44 1.45 1.17 0.00 0.00 0.00 175.10 178.14 1a57 n LYS 35 N 2.79 0.03 -0.84 2.72 4.81 -1.26 -3.46 118.16 122.95 1a57 n LYS 35 Ca -0.09 0.31 -0.06 0.00 -0.87 0.00 0.00 58.31 57.59 1a57 n LYS 35 Cb 0.52 -1.56 -0.07 0.00 0.02 0.00 0.00 35.03 33.94 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 -1.61 0.00 -2.80 1.64 4.07 -1.12 -4.56 120.64 116.25 1a57 n GLU 36 Ca 0.03 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.72 1a57 n GLU 36 Cb 0.16 -0.69 -0.04 0.00 -0.06 0.00 0.00 31.44 30.81 1a57 n GLU 36 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 1a57 s SER 37 N 0.00 7.35 0.00 4.31 1.04 -1.06 -4.53 113.70 120.81 1a57 s SER 37 Ca 0.39 1.62 0.00 0.00 0.48 0.00 0.00 55.95 58.44 1a57 s SER 37 Cb -0.25 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.33 1a57 s SER 37 CO 0.17 -0.12 0.00 -0.24 0.98 0.00 0.00 173.24 174.03 1a57 n SER 38 N 3.26 0.00 -0.58 7.02 2.88 -0.88 -4.48 113.62 120.84 1a57 n SER 38 Ca 0.02 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.63 1a57 n SER 38 Cb 0.50 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.04 1a57 n SER 38 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1a57 n ASN 39 N 0.00 2.31 -0.06 -3.46 4.13 -1.26 -4.32 115.26 112.59 1a57 n ASN 39 Ca 0.00 -1.64 -0.06 0.00 1.68 0.00 0.00 54.58 54.56 1a57 n ASN 39 Cb 0.00 -0.05 -0.05 0.00 -1.54 0.00 0.00 39.78 38.14 1a57 n ASN 39 CO 0.00 0.00 0.00 -0.26 0.28 0.00 0.00 177.26 177.28 1a57 h PHE 40 N 2.62 0.00 -1.70 3.10 -1.00 -1.91 -3.48 116.94 114.58 1a57 h PHE 40 Ca 0.00 0.00 0.14 0.00 2.81 0.00 0.00 57.97 60.92 1a57 h PHE 40 Cb 0.60 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.14 1a57 h PHE 40 CO 0.05 0.38 0.38 2.89 -1.61 0.00 0.00 178.31 180.40 1a57 n ARG 41 N -4.68 0.13 -3.17 1.51 0.00 -1.26 -5.12 116.66 104.07 1a57 n ARG 41 Ca -0.06 -0.42 -0.40 0.00 -0.00 0.00 0.00 57.85 56.97 1a57 n ARG 41 Cb 0.22 0.65 -0.06 0.00 -0.00 0.00 0.00 32.46 33.27 1a57 n ARG 41 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1a57 s ASN 42 N -2.25 6.67 -0.22 2.89 0.01 -1.26 -2.08 114.94 118.70 1a57 s ASN 42 Ca 0.13 0.81 -0.04 0.00 -0.71 0.00 0.00 52.86 53.05 1a57 s ASN 42 Cb -0.01 -2.33 0.09 0.00 0.41 0.00 0.00 41.25 39.41 1a57 s ASN 42 CO 0.00 -0.21 0.15 -0.51 -1.51 0.00 0.00 177.10 175.03 1a57 s ILE 43 N 1.64 -0.18 0.05 0.60 2.07 -1.26 -4.98 121.20 119.14 1a57 s ILE 43 Ca 0.28 -0.32 -0.31 0.00 -1.41 0.00 0.00 60.65 58.89 1a57 s ILE 43 Cb -0.16 -0.74 -0.07 0.00 0.13 0.00 0.00 42.46 41.62 1a57 s ILE 43 CO 0.11 -0.39 1.56 1.51 -1.91 0.00 0.00 174.94 175.82 1a57 s ASP 44 N 2.20 6.69 -1.27 4.50 1.47 -1.26 -4.81 116.67 124.19 1a57 s ASP 44 Ca 0.06 2.36 -0.07 0.00 1.18 0.00 0.00 52.55 56.08 1a57 s ASP 44 Cb -0.16 -2.56 0.17 0.00 -0.34 0.00 0.00 42.92 40.03 1a57 s ASP 44 CO -0.19 -0.83 2.06 0.55 0.68 0.00 0.00 175.17 177.44 1a57 n VAL 45 N 4.69 4.91 -1.45 2.11 3.14 -1.22 -4.98 118.33 125.53 1a57 n VAL 45 Ca 0.15 -4.58 -0.31 0.00 -2.96 0.00 0.00 64.34 56.64 1a57 n VAL 45 Cb 0.42 -2.17 0.08 0.00 -1.06 0.00 0.00 33.84 31.10 1a57 n VAL 45 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1a57 s VAL 46 N -0.80 3.57 0.00 1.55 0.11 -1.26 -4.16 120.40 119.42 1a57 s VAL 46 Ca 0.45 0.51 0.00 0.00 -2.93 0.00 0.00 61.98 60.01 1a57 s VAL 46 Cb 0.13 -3.16 0.00 0.00 -1.53 0.00 0.00 36.38 31.83 1a57 s VAL 46 CO -0.04 -0.67 0.00 2.22 -3.33 0.00 0.00 175.10 173.29 1a57 n PHE 47 N -3.35 0.00 -4.49 1.54 1.16 -1.21 -5.05 117.46 106.05 1a57 n PHE 47 Ca 0.08 0.00 -0.25 0.00 -1.87 0.00 0.00 57.45 55.41 1a57 n PHE 47 Cb 0.54 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.33 1a57 n PHE 47 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 1a57 s GLU 48 N 1.43 1.91 -0.70 3.97 2.02 -1.26 -3.89 118.70 122.17 1a57 s GLU 48 Ca 0.00 -2.16 -0.15 0.00 0.02 0.00 0.00 54.97 52.68 1a57 s GLU 48 Cb 0.00 -0.53 0.17 0.00 0.10 0.00 0.00 34.13 33.87 1a57 s GLU 48 CO 0.00 -0.49 0.67 -1.17 0.02 0.00 0.00 175.26 174.29 1a57 s LEU 49 N -3.58 6.39 0.00 1.80 0.20 0.02 -4.02 118.68 119.50 1a57 s LEU 49 Ca 0.25 -2.23 0.00 0.00 0.69 0.00 0.00 54.13 52.84 1a57 s LEU 49 Cb 0.03 -2.22 0.00 0.00 -0.43 0.00 0.00 46.19 43.56 1a57 s LEU 49 CO 0.15 -0.74 0.00 0.61 -0.29 0.00 0.00 176.35 176.09 1a57 n GLY 50 N 4.62 0.62 2.78 7.98 0.00 0.21 -4.94 105.19 116.46 1a57 n GLY 50 Ca 0.01 -0.32 -0.17 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.91 -0.13 0.54 1.61 1.01 -1.16 -5.00 120.40 115.36 1a57 s VAL 51 Ca 0.00 0.32 -0.07 0.00 0.00 0.00 0.00 61.98 62.23 1a57 s VAL 51 Cb 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 36.16 1a57 s VAL 51 CO 0.00 0.13 0.88 1.51 0.00 0.00 0.00 175.10 177.63 1a57 s ASP 52 N 1.79 6.22 -0.03 3.32 1.47 -1.26 -3.75 116.67 124.43 1a57 s ASP 52 Ca -0.01 1.11 -0.29 0.00 1.18 0.00 0.00 52.55 54.54 1a57 s ASP 52 Cb -0.12 -2.31 0.10 0.00 -0.34 0.00 0.00 42.92 40.25 1a57 s ASP 52 CO -0.04 -0.71 1.31 0.72 0.68 0.00 0.00 175.17 177.13 1a57 s PHE 53 N -2.92 0.01 -0.03 2.11 -0.71 0.19 -4.98 117.98 111.66 1a57 s PHE 53 Ca 0.51 -0.10 0.03 0.00 -1.04 0.00 0.00 56.93 56.32 1a57 s PHE 53 Cb -0.11 0.55 0.00 0.00 -1.21 0.00 0.00 43.02 42.25 1a57 s PHE 53 CO 0.48 -0.22 -0.10 0.00 -1.34 0.00 0.00 175.22 174.05 1a57 s ALA 54 N -2.07 0.96 0.00 1.99 0.00 -1.26 -0.09 121.76 121.28 1a57 s ALA 54 Ca 0.27 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.86 1a57 s ALA 54 Cb 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.77 1a57 s ALA 54 CO -0.02 0.15 0.00 0.98 0.00 0.00 0.00 175.76 176.87 1a57 n TYR 55 N 3.32 0.00 -2.83 0.00 4.19 0.17 -4.98 117.16 117.04 1a57 n TYR 55 Ca -0.19 0.00 0.01 0.00 3.31 0.00 0.00 57.90 61.04 1a57 n TYR 55 Cb 0.54 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.37 1a57 n TYR 55 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 1a57 s SER 56 N 1.00 -0.52 0.76 2.98 0.15 -1.21 -4.04 113.70 112.82 1a57 s SER 56 Ca 0.00 -0.28 -0.09 0.00 0.70 0.00 0.00 55.95 56.28 1a57 s SER 56 Cb 0.00 0.66 0.08 0.00 -1.71 0.00 0.00 66.02 65.05 1a57 s SER 56 CO 0.00 -0.06 1.10 -0.76 1.20 0.00 0.00 173.24 174.72 1a57 s LEU 57 N 1.91 2.69 0.00 3.45 1.43 -1.26 -4.36 118.68 122.53 1a57 s LEU 57 Ca 0.15 0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.81 1a57 s LEU 57 Cb 0.02 -3.10 0.00 0.00 0.03 0.00 0.00 46.19 43.14 1a57 s LEU 57 CO -0.13 -1.79 0.00 0.00 0.23 0.00 0.00 176.35 174.65 1a57 n ALA 58 N -3.12 0.00 0.21 4.21 0.00 -1.26 0.59 120.51 121.14 1a57 n ALA 58 Ca 0.09 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.69 1a57 n ALA 58 Cb 0.61 0.00 0.82 0.00 0.00 0.00 0.00 19.45 20.88 1a57 n ALA 58 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1a57 h ASP 59 N 4.68 0.00 0.00 0.00 3.04 -2.04 -3.42 116.42 118.68 1a57 h ASP 59 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1a57 h ASP 59 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 1a57 h ASP 59 CO 0.00 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 1a57 n GLY 60 N -1.41 -0.23 0.00 7.15 0.00 0.51 -5.13 105.19 106.09 1a57 n GLY 60 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.16 2.61 -2.24 0.20 -4.79 114.28 110.21 1a57 n THR 61 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 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 -0.62 -0.57 0.00 0.00 175.07 173.88 1a57 n GLU 62 N 0.00 0.00 -3.69 -0.78 1.02 -1.26 -4.48 120.64 111.45 1a57 n GLU 62 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.92 1a57 n GLU 62 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1a57 n GLU 62 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1a57 n LEU 63 N -3.35 -2.54 -4.61 -4.62 4.32 -0.62 0.44 117.00 106.03 1a57 n LEU 63 Ca 0.00 -0.82 -0.41 0.00 -0.02 0.00 0.00 56.01 54.75 1a57 n LEU 63 Cb 0.00 -1.84 -0.06 0.00 -1.62 0.00 0.00 43.42 39.91 1a57 n LEU 63 CO 0.00 0.17 0.50 -0.89 -1.22 0.00 0.00 177.39 175.95 1a57 s THR 64 N -2.93 4.86 0.00 -5.08 2.01 0.12 -3.21 115.64 111.42 1a57 s THR 64 Ca 0.02 1.04 0.00 0.00 0.31 0.00 0.00 61.69 63.06 1a57 s THR 64 Cb -0.00 -4.08 0.00 0.00 0.01 0.00 0.00 72.50 68.43 1a57 s THR 64 CO 0.88 -0.20 0.00 0.61 -0.69 0.00 0.00 174.62 175.22 1a57 n GLY 65 N 4.29 -0.94 3.63 4.40 0.00 0.86 -2.85 105.19 114.59 1a57 n GLY 65 Ca 0.02 0.03 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.51 0.00 0.06 2.61 -1.32 0.32 0.57 115.64 114.38 1a57 s THR 66 Ca 0.00 -0.23 0.09 0.00 -1.21 0.00 0.00 61.69 60.33 1a57 s THR 66 Cb 0.00 -1.67 -0.03 0.00 -1.51 0.00 0.00 72.50 69.29 1a57 s THR 66 CO 0.00 0.00 -0.24 0.26 -2.21 0.00 0.00 174.62 172.43 1a57 s TRP 67 N -2.65 2.06 -0.09 9.09 0.23 -1.25 -0.56 118.94 125.78 1a57 s TRP 67 Ca 0.12 -0.39 0.22 0.00 -2.03 0.00 0.00 56.10 54.02 1a57 s TRP 67 Cb 0.02 -1.20 0.45 0.00 0.03 0.00 0.00 33.47 32.76 1a57 s TRP 67 CO -0.03 0.15 1.17 0.25 0.96 0.00 0.00 176.95 179.44 1a57 n THR 68 N 1.61 0.67 -0.89 2.01 -2.24 -0.34 0.66 114.28 115.77 1a57 n THR 68 Ca -0.17 -1.84 -0.34 0.00 -2.27 0.00 0.00 64.05 59.43 1a57 n THR 68 Cb 0.53 0.79 -0.04 0.00 -2.10 0.00 0.00 70.33 69.51 1a57 n THR 68 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1a57 n MET 69 N 0.00 0.00 -3.85 -0.78 1.56 -1.23 -4.72 117.12 108.11 1a57 n MET 69 Ca 0.10 0.00 -0.12 0.00 -0.27 0.00 0.00 57.70 57.41 1a57 n MET 69 Cb 1.01 -0.82 -0.14 0.00 2.15 0.00 0.00 33.22 35.42 1a57 n MET 69 CO 0.00 0.00 0.00 -2.00 -0.73 0.00 0.00 175.97 173.24 1a57 s GLU 70 N -0.18 0.06 0.00 2.12 2.56 -1.25 -4.97 118.70 117.04 1a57 s GLU 70 Ca 0.50 0.08 0.00 0.00 0.00 0.00 0.00 54.97 55.55 1a57 s GLU 70 Cb -0.71 0.03 0.00 0.00 2.00 0.00 0.00 34.13 35.44 1a57 s GLU 70 CO 0.34 -0.01 0.00 0.41 -0.56 0.00 0.00 175.26 175.44 1a57 n GLY 71 N 3.07 0.32 2.79 -1.50 0.00 -1.26 0.14 105.19 108.75 1a57 n GLY 71 Ca -0.12 0.37 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 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 1.37 4.66 -3.11 1.61 6.94 -1.26 -4.92 115.26 120.55 1a57 n ASN 72 Ca 0.00 -3.70 -0.15 0.00 -0.02 0.00 0.00 54.58 50.70 1a57 n ASN 72 Cb 0.00 -0.55 -0.04 0.00 -2.36 0.00 0.00 39.78 36.84 1a57 n ASN 72 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1a57 s LYS 73 N -3.52 1.99 -0.33 -3.83 1.02 0.38 -4.01 119.74 111.45 1a57 s LYS 73 Ca 0.48 -1.82 0.17 0.00 0.02 0.00 0.00 55.97 54.82 1a57 s LYS 73 Cb 0.32 0.45 0.45 0.00 -0.52 0.00 0.00 37.83 38.53 1a57 s LYS 73 CO -0.16 -0.83 1.16 1.28 -0.92 0.00 0.00 175.35 175.88 1a57 n LEU 74 N -0.60 0.34 -4.71 3.17 4.77 0.42 -3.84 117.00 116.55 1a57 n LEU 74 Ca 0.01 -3.42 -0.42 0.00 -0.03 0.00 0.00 56.01 52.15 1a57 n LEU 74 Cb 0.61 0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.98 1a57 n LEU 74 CO 0.30 1.52 0.87 -0.69 -1.33 0.00 0.00 177.39 178.06 1a57 s VAL 75 N -2.12 4.09 -1.24 4.08 1.01 -1.26 -4.19 120.40 120.76 1a57 s VAL 75 Ca 0.23 1.51 0.00 0.00 0.00 0.00 0.00 61.98 63.72 1a57 s VAL 75 Cb 0.41 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1a57 s VAL 75 CO -0.03 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.80 1a57 n GLY 76 N 3.16 -0.33 0.00 4.51 0.00 -1.26 -1.20 105.19 110.07 1a57 n GLY 76 Ca 0.09 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1a57 n GLY 76 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1a57 n LYS 77 N 0.00 0.00 -3.75 1.61 0.00 0.28 -4.73 118.16 111.57 1a57 n LYS 77 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.20 1a57 n LYS 77 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 35.03 34.96 1a57 n LYS 77 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1a57 s PHE 78 N -2.00 -0.07 -0.21 5.58 0.08 -1.25 0.12 117.98 120.22 1a57 s PHE 78 Ca 0.00 -0.16 -0.16 0.00 0.12 0.00 0.00 56.93 56.72 1a57 s PHE 78 Cb 0.00 0.10 0.06 0.00 -0.57 0.00 0.00 43.02 42.61 1a57 s PHE 78 CO 0.00 -0.55 0.55 0.21 -0.10 0.00 0.00 175.22 175.32 1a57 s LYS 79 N -3.09 0.60 -0.68 0.44 2.20 -1.13 0.16 119.74 118.24 1a57 s LYS 79 Ca -0.01 0.87 0.00 0.00 -0.36 0.00 0.00 55.97 56.47 1a57 s LYS 79 Cb 0.01 0.20 0.39 0.00 -1.51 0.00 0.00 37.83 36.92 1a57 s LYS 79 CO -0.07 -0.11 1.74 2.89 -0.36 0.00 0.00 175.35 179.45 1a57 n ARG 80 N 3.43 2.97 0.00 4.03 1.85 -1.26 0.15 116.66 127.83 1a57 n ARG 80 Ca -0.17 -3.77 0.00 0.00 -1.00 0.00 0.00 57.85 52.91 1a57 n ARG 80 Cb 0.56 -2.27 0.00 0.00 -1.05 0.00 0.00 32.46 29.71 1a57 n ARG 80 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 1a57 n VAL 81 N -0.60 0.00 -0.68 8.89 0.24 -1.26 -0.76 118.33 124.16 1a57 n VAL 81 Ca 0.51 0.00 0.51 0.00 -2.04 0.00 0.00 64.34 63.32 1a57 n VAL 81 Cb 0.46 0.00 0.79 0.00 -1.47 0.00 0.00 33.84 33.62 1a57 n VAL 81 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1a57 n ASP 82 N -1.23 0.00 0.00 -1.34 -0.08 -1.26 -4.39 116.55 108.25 1a57 n ASP 82 Ca 0.00 0.95 0.00 0.00 -1.51 0.00 0.00 54.79 54.23 1a57 n ASP 82 Cb 0.00 -0.47 0.00 0.00 2.34 0.00 0.00 41.12 42.99 1a57 n ASP 82 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1a57 n ASN 83 N -3.84 0.00 0.05 1.67 0.23 0.06 -4.98 115.26 108.45 1a57 n ASN 83 Ca 0.43 0.00 -0.13 0.00 -0.53 0.00 0.00 54.58 54.35 1a57 n ASN 83 Cb 1.95 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 39.56 1a57 n ASN 83 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1a57 h GLY 84 N 0.00 -0.16 -4.41 4.83 0.00 -1.66 -3.49 103.07 98.18 1a57 h GLY 84 Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.40 1a57 h GLY 84 CO 0.00 -0.06 -1.13 1.17 0.00 0.00 0.00 176.54 176.52 1a57 n LYS 85 N -4.94 -3.60 -1.97 4.80 4.81 -1.23 -4.86 118.16 111.16 1a57 n LYS 85 Ca -0.09 2.81 -0.03 0.00 -0.87 0.00 0.00 58.31 60.13 1a57 n LYS 85 Cb 0.25 -4.02 0.02 0.00 0.02 0.00 0.00 35.03 31.30 1a57 n LYS 85 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1a57 n GLU 86 N 1.31 -0.57 -2.54 1.64 1.02 -1.26 -3.97 120.64 116.27 1a57 n GLU 86 Ca -0.27 0.35 -0.41 0.00 -0.02 0.00 0.00 57.16 56.81 1a57 n GLU 86 Cb 0.41 -2.69 0.01 0.00 -0.02 0.00 0.00 31.44 29.15 1a57 n GLU 86 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1a57 n LEU 87 N -1.82 7.37 0.00 -4.62 4.77 0.42 -2.46 117.00 120.67 1a57 n LEU 87 Ca -0.02 -5.25 -0.11 0.00 -0.03 0.00 0.00 56.01 50.61 1a57 n LEU 87 Cb 0.53 -1.23 0.09 0.00 -2.33 0.00 0.00 43.42 40.48 1a57 n LEU 87 CO 0.16 1.99 0.23 -0.38 -1.33 0.00 0.00 177.39 178.06 1a57 n ILE 88 N 0.57 0.00 -2.77 -0.08 5.41 -0.78 -3.89 119.36 117.82 1a57 n ILE 88 Ca 0.47 -0.18 -0.09 0.00 1.00 0.00 0.00 62.75 63.95 1a57 n ILE 88 Cb 0.27 -1.09 0.07 0.00 -0.71 0.00 0.00 39.64 38.18 1a57 n ILE 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1a57 n ALA 89 N -3.70 1.22 -1.59 -1.39 0.00 -1.25 -3.77 120.51 110.03 1a57 n ALA 89 Ca -0.08 -1.99 -0.45 0.00 0.00 0.00 0.00 53.44 50.92 1a57 n ALA 89 Cb 0.22 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.61 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 -0.11 0.42 -3.55 0.00 0.31 -0.27 -4.61 118.33 110.53 1a57 n VAL 90 Ca 0.06 -0.32 -0.10 0.00 -0.01 0.00 0.00 64.34 63.97 1a57 n VAL 90 Cb 0.78 -2.27 -0.02 0.00 -0.91 0.00 0.00 33.84 31.42 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 5.71 1.30 -0.29 5.55 6.06 -1.26 -3.04 118.95 132.97 1a57 s ARG 91 Ca 0.99 -0.56 0.02 0.00 -2.50 0.00 0.00 55.73 53.69 1a57 s ARG 91 Cb -0.49 0.54 0.20 0.00 0.06 0.00 0.00 34.95 35.26 1a57 s ARG 91 CO 0.41 -0.58 0.68 -1.83 -2.50 0.00 0.00 175.30 171.48 1a57 s GLU 92 N -3.64 0.48 0.00 5.12 -1.05 -1.26 0.16 118.70 118.51 1a57 s GLU 92 Ca 0.05 0.50 0.00 0.00 -0.15 0.00 0.00 54.97 55.37 1a57 s GLU 92 Cb -0.02 0.24 0.00 0.00 -0.44 0.00 0.00 34.13 33.91 1a57 s GLU 92 CO -0.07 -0.88 0.00 -0.89 0.95 0.00 0.00 175.26 174.37 1a57 n ILE 93 N 5.37 0.00 0.00 1.83 2.08 -1.26 -4.62 119.36 122.76 1a57 n ILE 93 Ca 0.05 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.36 1a57 n ILE 93 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.43 1a57 n ILE 93 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1a57 n SER 94 N 0.17 0.00 0.00 4.38 2.88 0.85 -4.25 113.62 117.64 1a57 n SER 94 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1a57 n SER 94 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1a57 n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a57 n GLY 95 N -0.76 0.10 0.16 0.46 0.00 -1.26 -4.89 105.19 99.00 1a57 n GLY 95 Ca 0.00 0.08 0.06 0.00 0.00 0.00 0.00 46.02 46.16 1a57 n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a57 n ASN 96 N -0.13 1.64 -3.93 1.61 4.13 -1.26 -5.01 115.26 112.31 1a57 n ASN 96 Ca 0.00 -2.61 -0.09 0.00 1.68 0.00 0.00 54.58 53.56 1a57 n ASN 96 Cb 0.00 -0.31 -0.05 0.00 -1.54 0.00 0.00 39.78 37.89 1a57 n ASN 96 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 1a57 s GLU 97 N -1.84 1.53 -0.08 3.52 4.04 -1.26 -4.61 118.70 120.00 1a57 s GLU 97 Ca 0.19 -1.14 -0.01 0.00 0.04 0.00 0.00 54.97 54.05 1a57 s GLU 97 Cb 0.17 0.50 -0.03 0.00 0.02 0.00 0.00 34.13 34.78 1a57 s GLU 97 CO 0.02 -0.65 -0.02 -1.17 -1.84 0.00 0.00 175.26 171.60 1a57 s LEU 98 N -2.97 3.44 0.00 1.83 0.20 -1.26 -0.11 118.68 119.81 1a57 s LEU 98 Ca 0.18 0.09 0.00 0.00 0.69 0.00 0.00 54.13 55.09 1a57 s LEU 98 Cb -0.01 -1.78 0.00 0.00 -0.43 0.00 0.00 46.19 43.97 1a57 s LEU 98 CO 0.06 0.37 0.00 -0.38 -0.29 0.00 0.00 176.35 176.11 1a57 n ILE 99 N 2.17 0.00 0.00 6.68 5.41 -1.26 -3.13 119.36 129.22 1a57 n ILE 99 Ca -0.18 0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.58 1a57 n ILE 99 Cb 0.53 -0.94 0.00 0.00 -0.71 0.00 0.00 39.64 38.53 1a57 n ILE 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1a57 n GLN 100 N -1.45 0.00 -2.74 0.38 1.13 -1.25 -4.24 117.38 109.20 1a57 n GLN 100 Ca 0.00 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.64 1a57 n GLN 100 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.32 1a57 n GLN 100 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1a57 s THR 101 N 0.00 4.19 0.55 5.09 2.01 -1.17 -3.40 115.64 122.90 1a57 s THR 101 Ca 0.00 -0.52 -0.20 0.00 0.31 0.00 0.00 61.69 61.28 1a57 s THR 101 Cb 0.00 -4.84 -0.05 0.00 0.01 0.00 0.00 72.50 67.62 1a57 s THR 101 CO 0.00 -1.66 1.16 -0.31 -0.69 0.00 0.00 174.62 173.12 1a57 s TYR 102 N 4.34 2.61 -0.69 4.92 1.51 -0.43 -1.12 117.35 128.49 1a57 s TYR 102 Ca 0.32 1.53 0.05 0.00 -1.01 0.00 0.00 57.07 57.96 1a57 s TYR 102 Cb -0.09 -3.37 0.24 0.00 -0.11 0.00 0.00 41.96 38.63 1a57 s TYR 102 CO 0.03 -1.78 0.75 2.41 -1.11 0.00 0.00 175.55 175.86 1a57 n THR 103 N -1.27 2.45 -2.96 -0.71 -1.04 -1.25 -3.19 114.28 106.33 1a57 n THR 103 Ca 0.12 -5.21 -0.43 0.00 -2.04 0.00 0.00 64.05 56.49 1a57 n THR 103 Cb 0.50 -2.12 -0.05 0.00 -1.82 0.00 0.00 70.33 66.84 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 -2.31 2.95 0.00 -1.42 5.04 -1.03 -4.45 117.35 116.14 1a57 s TYR 104 Ca 0.37 0.06 0.00 0.00 -2.44 0.00 0.00 57.07 55.05 1a57 s TYR 104 Cb 0.11 -3.74 0.00 0.00 0.35 0.00 0.00 41.96 38.68 1a57 s TYR 104 CO -0.03 -1.07 0.00 -1.91 -1.34 0.00 0.00 175.55 171.20 1a57 n GLU 105 N 6.83 0.00 -0.11 4.97 4.07 -1.25 0.13 120.64 135.27 1a57 n GLU 105 Ca 0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 1a57 n GLU 105 Cb 0.48 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.86 1a57 n GLU 105 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1a57 n GLY 106 N 0.00 0.59 3.08 8.31 0.00 -1.26 -5.04 105.19 110.88 1a57 n GLY 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.20 -0.89 -1.23 1.61 1.01 0.34 -5.07 120.40 113.98 1a57 s VAL 107 Ca 0.00 -0.06 -0.14 0.00 0.00 0.00 0.00 61.98 61.78 1a57 s VAL 107 Cb 0.00 -0.97 0.16 0.00 0.00 0.00 0.00 36.38 35.56 1a57 s VAL 107 CO 0.00 -0.06 1.49 -0.62 0.00 0.00 0.00 175.10 175.91 1a57 n GLU 108 N 5.41 3.35 -3.58 2.72 4.71 -1.26 -3.01 120.64 128.97 1a57 n GLU 108 Ca 0.01 -3.77 -0.33 0.00 -0.01 0.00 0.00 57.16 53.07 1a57 n GLU 108 Cb 0.52 -3.11 -0.05 0.00 -1.01 0.00 0.00 31.44 27.79 1a57 n GLU 108 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1a57 s ALA 109 N 1.94 3.71 0.33 0.62 0.00 -1.19 -4.95 121.76 122.22 1a57 s ALA 109 Ca 0.44 -0.43 0.10 0.00 0.00 0.00 0.00 51.96 52.07 1a57 s ALA 109 Cb -0.02 -2.25 -0.06 0.00 0.00 0.00 0.00 23.12 20.79 1a57 s ALA 109 CO 0.01 0.60 -0.11 0.15 0.00 0.00 0.00 175.76 176.42 1a57 s LYS 110 N -2.46 1.83 -0.04 0.00 1.02 -1.26 -1.32 119.74 117.50 1a57 s LYS 110 Ca 0.40 -1.86 0.03 0.00 0.02 0.00 0.00 55.97 54.56 1a57 s LYS 110 Cb -0.12 -1.76 0.01 0.00 -0.52 0.00 0.00 37.83 35.43 1a57 s LYS 110 CO 0.22 0.19 -0.12 0.50 -0.92 0.00 0.00 175.35 175.23 1a57 s ARG 111 N -3.60 1.40 -0.36 1.68 6.06 -1.22 -4.99 118.95 117.92 1a57 s ARG 111 Ca 0.32 -0.40 -0.18 0.00 -2.50 0.00 0.00 55.73 52.98 1a57 s ARG 111 Cb 0.00 -1.22 -0.00 0.00 0.06 0.00 0.00 34.95 33.79 1a57 s ARG 111 CO 0.17 0.10 0.48 0.42 -2.50 0.00 0.00 175.30 173.97 1a57 s ILE 112 N 0.37 5.04 0.37 4.11 1.09 -1.26 -3.97 121.20 126.96 1a57 s ILE 112 Ca -0.08 0.19 0.03 0.00 -1.10 0.00 0.00 60.65 59.70 1a57 s ILE 112 Cb -0.12 -3.96 -0.04 0.00 -1.06 0.00 0.00 42.46 37.28 1a57 s ILE 112 CO 0.02 -0.24 0.09 -0.36 -0.10 0.00 0.00 174.94 174.36 1a57 s PHE 113 N 2.32 1.84 0.00 3.97 0.08 -1.18 -5.06 117.98 119.95 1a57 s PHE 113 Ca 0.17 -1.14 0.00 0.00 0.12 0.00 0.00 56.93 56.08 1a57 s PHE 113 Cb -0.16 -1.20 0.00 0.00 -0.57 0.00 0.00 43.02 41.09 1a57 s PHE 113 CO 0.13 -0.16 0.00 0.36 -0.10 0.00 0.00 175.22 175.45 1a57 n LYS 114 N -0.80 0.00 -4.88 0.44 -0.00 -1.20 -4.16 118.16 107.57 1a57 n LYS 114 Ca -0.04 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 57.95 1a57 n LYS 114 Cb 0.66 0.00 -0.14 0.00 -0.00 0.00 0.00 35.03 35.55 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 -0.61 2.12 0.00 -1.58 2.20 -1.26 0.30 119.74 120.92 1a57 s LYS 115 Ca 0.00 -0.93 0.00 0.00 -0.36 0.00 0.00 55.97 54.68 1a57 s LYS 115 Cb 0.00 -2.16 0.00 0.00 -1.51 0.00 0.00 37.83 34.16 1a57 s LYS 115 CO 0.00 0.56 0.00 0.39 -0.36 0.00 0.00 175.35 175.94