#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i55 s GLU 2 N 0.00 4.45 0.40 0.03 2.12 -1.26 -4.94 118.70 119.50 3i55 s GLU 2 Ca 0.00 1.92 -0.22 0.00 0.36 0.00 0.00 54.97 57.03 3i55 s GLU 2 Cb 0.00 -3.24 -0.14 0.00 0.26 0.00 0.00 34.13 31.01 3i55 s GLU 2 CO 0.00 -0.17 0.42 0.00 -0.54 0.00 0.00 175.26 174.97 3i55 n ALA 3 N 2.76 -2.00 0.11 6.30 0.00 -1.26 -4.88 120.51 121.54 3i55 n ALA 3 Ca 0.06 0.17 -0.23 0.00 0.00 0.00 0.00 53.44 53.43 3i55 n ALA 3 Cb 0.44 -1.68 -0.15 0.00 0.00 0.00 0.00 19.45 18.06 3i55 n ALA 3 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3i55 h LEU 4 N 0.68 0.71 0.00 0.00 6.46 -1.93 -3.47 115.31 117.77 3i55 h LEU 4 Ca -0.39 -0.93 0.00 0.00 -0.12 0.00 0.00 57.88 56.44 3i55 h LEU 4 Cb 1.41 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 41.11 3i55 h LEU 4 CO 0.51 1.61 0.00 0.61 -0.62 0.00 0.00 178.44 180.55 3i55 n GLY 5 N 1.71 0.95 3.58 3.75 0.00 -1.26 -4.82 105.19 109.09 3i55 n GLY 5 Ca -0.16 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 3i55 n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i55 s ALA 6 N -2.00 -1.78 -0.15 4.61 0.00 -1.26 -4.21 121.76 116.97 3i55 s ALA 6 Ca 0.00 1.73 -0.24 0.00 0.00 0.00 0.00 51.96 53.45 3i55 s ALA 6 Cb 0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.42 3i55 s ALA 6 CO 0.00 -0.35 0.77 -0.51 0.00 0.00 0.00 175.76 175.66 3i55 s ASP 7 N -0.29 6.92 0.09 0.00 1.01 -0.03 -4.92 116.67 119.45 3i55 s ASP 7 Ca -0.05 1.12 0.06 0.00 0.71 0.00 0.00 52.55 54.39 3i55 s ASP 7 Cb -0.03 -2.43 -0.04 0.00 1.01 0.00 0.00 42.92 41.44 3i55 s ASP 7 CO 0.05 -0.31 -0.07 -0.69 0.21 0.00 0.00 175.17 174.36 3i55 s VAL 8 N 1.78 3.57 -0.49 -1.27 1.01 -1.26 -0.09 120.40 123.64 3i55 s VAL 8 Ca 0.36 -1.16 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 3i55 s VAL 8 Cb -0.17 -2.67 0.13 0.00 0.00 0.00 0.00 36.38 33.67 3i55 s VAL 8 CO 0.14 0.13 0.30 -0.89 0.00 0.00 0.00 175.10 174.78 3i55 s THR 9 N -1.23 3.50 -0.59 3.92 2.01 -1.26 -5.02 115.64 116.98 3i55 s THR 9 Ca 0.22 -2.38 -0.38 0.00 0.31 0.00 0.00 61.69 59.47 3i55 s THR 9 Cb -0.11 -3.35 -0.17 0.00 0.01 0.00 0.00 72.50 68.87 3i55 s THR 9 CO 0.15 -0.77 2.31 0.00 -0.69 0.00 0.00 174.62 175.62 3i55 n GLN 10 N 4.19 0.32 -0.14 4.92 3.00 -1.26 -4.75 117.38 123.66 3i55 n GLN 10 Ca 0.01 0.07 0.09 0.00 -0.01 0.00 0.00 57.00 57.16 3i55 n GLN 10 Cb 0.40 -1.85 0.28 0.00 0.00 0.00 0.00 30.24 29.08 3i55 n GLN 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i55 n GLY 11 N 6.93 0.64 3.32 1.08 0.00 -1.20 -4.72 105.19 111.24 3i55 n GLY 11 Ca 0.53 -0.45 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 3i55 n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i55 s LEU 12 N -1.33 2.53 0.33 0.99 1.43 0.70 -4.87 118.68 118.46 3i55 s LEU 12 Ca 0.31 -0.98 0.03 0.00 -1.03 0.00 0.00 54.13 52.46 3i55 s LEU 12 Cb 0.16 -0.65 -0.05 0.00 0.03 0.00 0.00 46.19 45.69 3i55 s LEU 12 CO 0.23 -0.17 0.09 -1.61 0.23 0.00 0.00 176.35 175.12 3i55 s GLU 13 N -3.46 1.68 0.13 1.70 2.02 -1.26 0.46 118.70 119.97 3i55 s GLU 13 Ca 0.20 -1.96 -0.31 0.00 0.02 0.00 0.00 54.97 52.92 3i55 s GLU 13 Cb -0.01 -0.67 -0.08 0.00 0.10 0.00 0.00 34.13 33.46 3i55 s GLU 13 CO 0.06 -0.29 1.35 0.21 0.02 0.00 0.00 175.26 176.61 3i55 s LYS 14 N -3.87 4.35 0.00 1.61 2.20 -0.79 -2.05 119.74 121.18 3i55 s LYS 14 Ca 0.33 2.04 0.00 0.00 -0.36 0.00 0.00 55.97 57.98 3i55 s LYS 14 Cb 0.07 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 33.14 3i55 s LYS 14 CO 0.15 -0.37 0.00 0.41 -0.36 0.00 0.00 175.35 175.18 3i55 n GLY 15 N 3.19 0.75 3.77 5.54 0.00 0.72 -4.97 105.19 114.19 3i55 n GLY 15 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 3i55 n GLY 15 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i55 s SER 16 N -2.96 6.85 -0.28 1.61 0.15 -0.87 -4.70 113.70 113.51 3i55 s SER 16 Ca 0.00 2.20 -0.11 0.00 0.70 0.00 0.00 55.95 58.74 3i55 s SER 16 Cb 0.00 -2.61 -0.05 0.00 -1.71 0.00 0.00 66.02 61.66 3i55 s SER 16 CO 0.00 -0.43 0.21 -0.76 1.20 0.00 0.00 173.24 173.46 3i55 s LEU 17 N -2.22 4.03 0.36 3.45 1.43 -1.26 -1.07 118.68 123.40 3i55 s LEU 17 Ca 0.53 0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.69 3i55 s LEU 17 Cb -0.28 -2.15 -0.06 0.00 0.03 0.00 0.00 46.19 43.73 3i55 s LEU 17 CO 0.35 -0.07 0.05 0.27 0.23 0.00 0.00 176.35 177.18 3i55 s ILE 18 N 1.79 1.34 -0.02 -0.59 -4.36 1.00 -4.95 121.20 115.41 3i55 s ILE 18 Ca 0.08 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.31 3i55 s ILE 18 Cb -0.16 -2.79 -0.05 0.00 1.25 0.00 0.00 42.46 40.70 3i55 s ILE 18 CO 0.11 0.00 0.45 -0.89 0.24 0.00 0.00 174.94 174.84 3i55 s THR 19 N -3.14 5.03 -0.66 8.37 2.01 -0.76 -0.14 115.64 126.35 3i55 s THR 19 Ca 0.34 0.92 -0.18 0.00 0.31 0.00 0.00 61.69 63.08 3i55 s THR 19 Cb 0.08 -3.76 0.12 0.00 0.01 0.00 0.00 72.50 68.95 3i55 s THR 19 CO 0.16 0.51 0.76 0.00 -0.69 0.00 0.00 174.62 175.36 3i55 s ALA 21 N 2.34 2.91 0.00 0.00 0.00 -0.81 -4.77 121.76 121.43 3i55 s ALA 21 Ca 0.15 -2.42 0.00 0.00 0.00 0.00 0.00 51.96 49.68 3i55 s ALA 21 Cb -0.20 -4.40 0.00 0.00 0.00 0.00 0.00 23.12 18.51 3i55 s ALA 21 CO 0.02 -3.44 0.00 -0.40 0.00 0.00 0.00 175.76 171.95 3i55 n ASP 22 N 8.23 0.00 -2.12 0.00 5.75 -1.26 -3.34 116.55 123.81 3i55 n ASP 22 Ca 0.31 0.00 -0.26 0.00 -0.01 0.00 0.00 54.79 54.83 3i55 n ASP 22 Cb 0.50 0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.66 3i55 n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 3i55 n ASN 23 N 0.00 6.93 0.12 -1.12 0.23 -1.13 -4.53 115.26 115.76 3i55 n ASN 23 Ca 0.00 -3.44 0.13 0.00 -0.53 0.00 0.00 54.58 50.74 3i55 n ASN 23 Cb 0.00 -1.00 0.33 0.00 -2.08 0.00 0.00 39.78 37.03 3i55 n ASN 23 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 3i55 h THR 24 N 0.99 0.00 0.00 5.53 1.35 -1.92 -3.44 112.91 115.41 3i55 h THR 24 Ca 0.46 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 3i55 h THR 24 Cb 0.95 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 3i55 h THR 24 CO 1.19 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 177.07 3i55 n GLY 25 N 1.27 1.44 3.58 5.82 0.00 -1.26 -5.00 105.19 111.05 3i55 n GLY 25 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3i55 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i55 s ALA 26 N -2.30 3.46 -0.16 4.61 0.00 -1.26 -1.66 121.76 124.44 3i55 s ALA 26 Ca 0.00 -0.75 -0.14 0.00 0.00 0.00 0.00 51.96 51.06 3i55 s ALA 26 Cb 0.00 -3.23 -0.11 0.00 0.00 0.00 0.00 23.12 19.78 3i55 s ALA 26 CO 0.00 -1.35 0.08 0.00 0.00 0.00 0.00 175.76 174.49 3i55 h ARG 27 N 8.43 0.00 -6.24 0.00 3.08 -1.26 -3.41 114.38 114.97 3i55 h ARG 27 Ca -0.26 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.11 3i55 h ARG 27 Cb 1.11 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.98 3i55 h ARG 27 CO 0.86 0.46 -0.70 -2.00 -1.07 0.00 0.00 179.97 177.51 3i55 s GLU 28 N -2.19 2.62 0.03 0.04 2.12 -0.79 -1.80 118.70 118.72 3i55 s GLU 28 Ca -0.18 -0.67 0.07 0.00 0.36 0.00 0.00 54.97 54.56 3i55 s GLU 28 Cb 0.03 -2.53 -0.02 0.00 0.26 0.00 0.00 34.13 31.86 3i55 s GLU 28 CO 0.37 0.62 -0.22 -0.51 -0.54 0.00 0.00 175.26 174.98 3i55 s LEU 29 N -1.24 2.14 -0.20 2.70 1.43 0.81 -1.14 118.68 123.18 3i55 s LEU 29 Ca 0.16 -0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 52.74 3i55 s LEU 29 Cb -0.11 -1.06 0.01 0.00 0.03 0.00 0.00 46.19 45.06 3i55 s LEU 29 CO 0.06 0.20 -0.13 -0.75 0.23 0.00 0.00 176.35 175.96 3i55 s LYS 30 N -1.04 3.13 0.42 1.70 2.20 -0.71 -0.00 119.74 125.44 3i55 s LYS 30 Ca 0.08 -0.76 -0.25 0.00 -0.36 0.00 0.00 55.97 54.68 3i55 s LYS 30 Cb -0.09 -2.76 -0.08 0.00 -1.51 0.00 0.00 37.83 33.39 3i55 s LYS 30 CO 0.01 -0.21 1.25 0.08 -0.36 0.00 0.00 175.35 176.12 3i55 s VAL 31 N 1.36 2.78 0.00 4.02 1.01 -0.23 -1.83 120.40 127.50 3i55 s VAL 31 Ca 0.05 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.69 3i55 s VAL 31 Cb -0.14 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.87 3i55 s VAL 31 CO -0.09 0.07 0.00 -0.38 0.00 0.00 0.00 175.10 174.70 3i55 n ILE 32 N -0.04 0.00 -3.93 2.22 5.41 -0.36 -0.20 119.36 122.46 3i55 n ILE 32 Ca 0.05 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.70 3i55 n ILE 32 Cb 0.45 -0.64 -0.07 0.00 -0.71 0.00 0.00 39.64 38.67 3i55 n ILE 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 3i55 s SER 33 N -4.23 0.08 -0.43 4.38 0.01 -1.20 -4.78 113.70 107.53 3i55 s SER 33 Ca 0.00 -0.80 0.03 0.00 1.31 0.00 0.00 55.95 56.49 3i55 s SER 33 Cb 0.00 0.40 0.12 0.00 0.21 0.00 0.00 66.02 66.75 3i55 s SER 33 CO 0.00 -0.83 0.18 -0.69 0.41 0.00 0.00 173.24 172.31 3i55 s VAL 34 N -3.93 2.17 -0.16 3.43 1.01 -1.26 -0.62 120.40 121.04 3i55 s VAL 34 Ca 0.13 -2.74 -0.18 0.00 0.00 0.00 0.00 61.98 59.19 3i55 s VAL 34 Cb 0.04 -2.55 -0.08 0.00 0.00 0.00 0.00 36.38 33.80 3i55 s VAL 34 CO -0.04 -0.74 0.58 1.57 0.00 0.00 0.00 175.10 176.47 3i55 n HIS 35 N 3.68 0.60 -1.10 5.22 -0.00 -0.54 0.52 115.22 123.59 3i55 n HIS 35 Ca 0.05 0.44 -0.04 0.00 0.46 0.00 0.00 57.72 58.63 3i55 n HIS 35 Cb 0.36 -0.86 -0.02 0.00 -0.12 0.00 0.00 29.99 29.36 3i55 n HIS 35 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3i55 n GLY 36 N 1.37 0.60 3.70 1.57 0.00 -1.26 -4.81 105.19 106.36 3i55 n GLY 36 Ca 0.11 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 3i55 n GLY 36 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3i55 s TYR 37 N -1.89 3.37 -0.18 1.61 5.04 0.18 -5.06 117.35 120.44 3i55 s TYR 37 Ca 0.00 0.31 0.00 0.00 -2.44 0.00 0.00 57.07 54.94 3i55 s TYR 37 Cb 0.00 -2.22 0.04 0.00 0.35 0.00 0.00 41.96 40.13 3i55 s TYR 37 CO 0.00 0.19 -0.10 0.45 -1.34 0.00 0.00 175.55 174.76 3i55 s SER 38 N 0.65 3.08 0.00 4.32 0.15 -1.26 -4.88 113.70 115.77 3i55 s SER 38 Ca 0.08 -0.74 0.00 0.00 0.70 0.00 0.00 55.95 56.00 3i55 s SER 38 Cb -0.12 -1.13 0.00 0.00 -1.71 0.00 0.00 66.02 63.06 3i55 s SER 38 CO 0.01 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.92 3i55 n GLY 39 N 4.76 0.82 3.57 9.45 0.00 -1.26 -5.14 105.19 117.39 3i55 n GLY 39 Ca -0.14 -1.73 -0.26 0.00 0.00 0.00 0.00 46.02 43.88 3i55 n GLY 39 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i55 s THR 40 N 1.04 1.11 0.26 2.61 -1.32 -1.26 -5.07 115.64 113.00 3i55 s THR 40 Ca 0.00 -2.00 -0.30 0.00 -1.21 0.00 0.00 61.69 58.18 3i55 s THR 40 Cb 0.00 -2.53 -0.10 0.00 -1.51 0.00 0.00 72.50 68.36 3i55 s THR 40 CO 0.00 0.00 1.36 -0.75 -2.21 0.00 0.00 174.62 173.02 3i55 s LYS 41 N -3.80 4.33 0.00 7.08 2.20 -1.26 -2.82 119.74 125.46 3i55 s LYS 41 Ca 0.25 2.21 0.00 0.00 -0.36 0.00 0.00 55.97 58.07 3i55 s LYS 41 Cb 0.05 -3.12 0.00 0.00 -1.51 0.00 0.00 37.83 33.25 3i55 s LYS 41 CO 0.13 -0.30 0.00 0.09 -0.36 0.00 0.00 175.35 174.90 3i55 n ASN 42 N 1.95 0.00 -4.73 1.43 3.02 -1.26 -5.00 115.26 110.67 3i55 n ASN 42 Ca 0.05 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.19 3i55 n ASN 42 Cb 0.41 -0.25 -0.04 0.00 -0.61 0.00 0.00 39.78 39.29 3i55 n ASN 42 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3i55 s ARG 43 N 0.00 4.60 -0.04 3.52 3.52 -1.13 -5.00 118.95 124.43 3i55 s ARG 43 Ca 0.00 1.30 -0.30 0.00 -0.13 0.00 0.00 55.73 56.60 3i55 s ARG 43 Cb 0.00 -3.39 -0.04 0.00 -1.56 0.00 0.00 34.95 29.95 3i55 s ARG 43 CO 0.00 0.18 1.34 -1.01 -0.81 0.00 0.00 175.30 174.99 3i55 s HIS 44 N 0.21 2.91 -0.21 5.12 3.76 -1.26 -4.72 115.29 121.10 3i55 s HIS 44 Ca 0.45 0.93 -0.32 0.00 -0.15 0.00 0.00 55.06 55.96 3i55 s HIS 44 Cb -0.22 -3.59 -0.09 0.00 1.11 0.00 0.00 32.58 29.79 3i55 s HIS 44 CO 0.27 -2.10 2.09 -0.35 -0.85 0.00 0.00 174.74 173.81 3i55 n PRO 45 N 5.54 1.77 -2.63 8.40 -0.04 -1.26 -4.81 135.00 141.97 3i55 n PRO 45 Ca 0.13 0.56 -0.28 0.00 -0.04 0.00 0.00 63.50 63.86 3i55 n PRO 45 Cb 0.44 -2.78 -0.01 0.00 -0.04 0.00 0.00 33.50 31.11 3i55 n PRO 45 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3i55 s LYS 46 N 5.52 3.60 -0.16 0.54 -2.85 -1.26 -1.89 119.74 123.24 3i55 s LYS 46 Ca 1.01 0.31 -0.14 0.00 -1.00 0.00 0.00 55.97 56.15 3i55 s LYS 46 Cb -0.63 -2.36 0.04 0.00 -2.06 0.00 0.00 37.83 32.83 3i55 s LYS 46 CO 0.45 -0.19 0.42 0.00 0.10 0.00 0.00 175.35 176.13 3i55 s ALA 47 N -2.68 -1.04 0.34 0.59 0.00 0.17 -4.86 121.76 114.29 3i55 s ALA 47 Ca 0.49 1.25 0.06 0.00 0.00 0.00 0.00 51.96 53.76 3i55 s ALA 47 Cb -0.10 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 3i55 s ALA 47 CO 0.42 -0.21 0.21 0.41 0.00 0.00 0.00 175.76 176.59 3i55 n GLY 48 N 3.12 3.11 3.68 0.00 0.00 -1.26 -0.21 105.19 113.63 3i55 n GLY 48 Ca -0.15 -1.98 -0.52 0.00 0.00 0.00 0.00 46.02 43.37 3i55 n GLY 48 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3i55 n LEU 49 N 0.00 2.79 0.00 0.99 0.00 -1.26 -1.90 117.00 117.62 3i55 n LEU 49 Ca 0.02 1.04 0.00 0.00 0.00 0.00 0.00 56.01 57.07 3i55 n LEU 49 Cb 0.57 -1.27 0.00 0.00 0.00 0.00 0.00 43.42 42.72 3i55 n LEU 49 CO 0.30 -0.35 0.00 0.61 0.00 0.00 0.00 177.39 177.95 3i55 n GLY 50 N 3.95 0.75 3.74 -3.96 0.00 -0.57 -4.97 105.19 104.13 3i55 n GLY 50 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 3i55 n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i55 s ASP 51 N -2.25 5.37 -0.39 1.61 1.01 -0.80 -4.91 116.67 116.31 3i55 s ASP 51 Ca 0.00 -0.03 -0.18 0.00 0.71 0.00 0.00 52.55 53.05 3i55 s ASP 51 Cb 0.00 -1.42 0.01 0.00 1.01 0.00 0.00 42.92 42.52 3i55 s ASP 51 CO 0.00 0.20 0.51 -0.75 0.21 0.00 0.00 175.17 175.34 3i55 s LYS 52 N -2.16 3.37 0.22 8.23 2.20 -1.26 -2.10 119.74 128.24 3i55 s LYS 52 Ca 0.26 -0.42 0.08 0.00 -0.36 0.00 0.00 55.97 55.54 3i55 s LYS 52 Cb -0.12 -3.89 -0.04 0.00 -1.51 0.00 0.00 37.83 32.27 3i55 s LYS 52 CO 0.18 -0.78 0.00 0.96 -0.36 0.00 0.00 175.35 175.35 3i55 s ILE 53 N 2.38 3.62 0.14 5.43 -4.36 -0.89 -1.47 121.20 126.05 3i55 s ILE 53 Ca 0.17 -1.63 -0.14 0.00 -0.26 0.00 0.00 60.65 58.79 3i55 s ILE 53 Cb -0.16 -2.88 -0.07 0.00 1.25 0.00 0.00 42.46 40.61 3i55 s ILE 53 CO 0.15 -0.23 0.53 -0.89 0.24 0.00 0.00 174.94 174.73 3i55 s THR 54 N -1.99 4.89 0.05 8.37 2.01 0.21 -0.84 115.64 128.34 3i55 s THR 54 Ca 0.29 0.77 -0.09 0.00 0.31 0.00 0.00 61.69 62.97 3i55 s THR 54 Cb -0.08 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.71 3i55 s THR 54 CO 0.19 0.24 0.18 -0.69 -0.69 0.00 0.00 174.62 173.86 3i55 s VAL 55 N -1.47 0.12 -0.03 3.82 1.01 0.24 -1.23 120.40 122.86 3i55 s VAL 55 Ca 0.37 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.47 3i55 s VAL 55 Cb -0.15 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 3i55 s VAL 55 CO 0.19 -0.53 -0.25 -0.94 0.00 0.00 0.00 175.10 173.57 3i55 s SER 56 N -2.21 3.10 -0.40 3.32 1.04 -0.76 0.54 113.70 118.33 3i55 s SER 56 Ca -0.03 -0.47 -0.29 0.00 0.48 0.00 0.00 55.95 55.63 3i55 s SER 56 Cb -0.00 -0.54 0.01 0.00 0.10 0.00 0.00 66.02 65.59 3i55 s SER 56 CO -0.05 0.29 1.36 -0.69 0.98 0.00 0.00 173.24 175.13 3i55 s VAL 57 N -0.45 3.98 -0.01 5.02 1.01 -0.57 -1.73 120.40 127.65 3i55 s VAL 57 Ca 0.05 1.03 -0.03 0.00 0.00 0.00 0.00 61.98 63.03 3i55 s VAL 57 Cb -0.11 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.01 3i55 s VAL 57 CO 0.01 -0.73 0.46 0.74 0.00 0.00 0.00 175.10 175.58 3i55 h THR 58 N 6.34 0.00 -3.51 3.92 2.02 -1.46 -2.74 112.91 117.49 3i55 h THR 58 Ca -0.27 -0.10 -0.66 0.00 0.77 0.00 0.00 66.41 66.16 3i55 h THR 58 Cb 1.10 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 67.35 3i55 h THR 58 CO 1.08 0.00 -0.74 -0.54 0.37 0.00 0.00 175.52 175.69 3i55 s LYS 59 N -2.11 2.07 0.00 6.66 1.02 -1.17 -4.77 119.74 121.45 3i55 s LYS 59 Ca -0.01 -1.08 0.00 0.00 0.02 0.00 0.00 55.97 54.90 3i55 s LYS 59 Cb 0.00 -2.26 0.00 0.00 -0.52 0.00 0.00 37.83 35.05 3i55 s LYS 59 CO 0.04 0.49 0.00 0.41 -0.92 0.00 0.00 175.35 175.38 3i55 n GLY 60 N 0.62 -0.08 3.72 -3.33 0.00 -1.26 -0.79 105.19 104.07 3i55 n GLY 60 Ca -0.13 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 3i55 n GLY 60 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i55 n THR 61 N 6.03 1.91 -0.36 2.61 -2.24 -0.67 -4.66 114.28 116.91 3i55 n THR 61 Ca 0.00 -0.48 -0.02 0.00 -2.27 0.00 0.00 64.05 61.28 3i55 n THR 61 Cb 0.00 -1.69 0.03 0.00 -2.10 0.00 0.00 70.33 66.57 3i55 n THR 61 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3i55 h PRO 62 N 2.81 -0.02 -0.73 -0.78 0.11 -1.95 0.26 132.00 131.69 3i55 h PRO 62 Ca -0.47 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.75 3i55 h PRO 62 Cb 1.27 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.34 3i55 h PRO 62 CO 0.64 -0.01 0.48 0.93 -0.21 0.00 0.00 178.00 179.83 3i55 h GLU 63 N -0.02 0.55 0.00 1.05 4.39 -1.99 -2.53 114.58 116.02 3i55 h GLU 63 Ca 0.33 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.88 3i55 h GLU 63 Cb 0.58 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 3i55 h GLU 63 CO -0.95 0.36 -0.70 0.52 -1.16 0.00 0.00 179.01 177.08 3i55 h MET 64 N 0.56 0.00 -7.11 2.33 2.86 -0.89 -3.47 114.93 109.22 3i55 h MET 64 Ca 0.34 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.44 3i55 h MET 64 Cb 0.58 0.00 0.14 0.00 0.06 0.00 0.00 31.60 32.38 3i55 h MET 64 CO -0.12 0.44 0.50 1.03 1.06 0.00 0.00 176.91 179.81 3i55 s ARG 65 N -2.97 2.71 -1.44 1.72 0.52 -0.52 -3.22 118.95 115.75 3i55 s ARG 65 Ca 0.02 1.98 0.00 0.00 -0.52 0.00 0.00 55.73 57.21 3i55 s ARG 65 Cb 0.08 -1.88 0.00 0.00 0.52 0.00 0.00 34.95 33.67 3i55 s ARG 65 CO 0.76 -1.45 0.00 0.54 0.02 0.00 0.00 175.30 175.17 3i55 n ARG 66 N -1.79 -1.30 -3.63 3.54 1.74 -1.03 -4.94 116.66 109.25 3i55 n ARG 66 Ca 0.15 0.96 -0.37 0.00 -0.77 0.00 0.00 57.85 57.82 3i55 n ARG 66 Cb 0.49 -5.19 -0.06 0.00 -1.02 0.00 0.00 32.46 26.67 3i55 n ARG 66 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3i55 s GLN 67 N -3.07 3.85 -0.52 5.56 -0.21 -1.20 -4.82 119.66 119.25 3i55 s GLN 67 Ca 0.00 0.16 -0.19 0.00 0.02 0.00 0.00 55.36 55.35 3i55 s GLN 67 Cb 0.00 -3.26 0.07 0.00 1.00 0.00 0.00 33.01 30.82 3i55 s GLN 67 CO 0.00 0.60 0.61 0.08 -2.12 0.00 0.00 175.29 174.47 3i55 s VAL 68 N -0.66 4.91 0.40 1.09 1.01 -1.26 -1.52 120.40 124.37 3i55 s VAL 68 Ca 0.19 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.51 3i55 s VAL 68 Cb -0.14 -4.33 -0.06 0.00 0.00 0.00 0.00 36.38 31.85 3i55 s VAL 68 CO 0.08 -0.86 0.03 -0.76 0.00 0.00 0.00 175.10 173.59 3i55 s LEU 69 N 2.50 2.53 0.07 3.92 1.43 0.19 -4.91 118.68 124.42 3i55 s LEU 69 Ca 0.13 -1.43 0.02 0.00 -1.03 0.00 0.00 54.13 51.81 3i55 s LEU 69 Cb -0.21 -0.67 -0.04 0.00 0.03 0.00 0.00 46.19 45.30 3i55 s LEU 69 CO 0.10 -0.58 0.14 -1.61 0.23 0.00 0.00 176.35 174.62 3i55 s GLU 70 N -3.79 3.12 0.25 1.70 2.02 -1.26 0.80 118.70 121.55 3i55 s GLU 70 Ca 0.31 -0.59 0.03 0.00 0.02 0.00 0.00 54.97 54.74 3i55 s GLU 70 Cb 0.08 -2.86 -0.01 0.00 0.10 0.00 0.00 34.13 31.44 3i55 s GLU 70 CO 0.15 0.58 0.28 0.00 0.02 0.00 0.00 175.26 176.29 3i55 n ALA 71 N 0.35 0.18 -3.70 5.21 0.00 -0.02 -0.16 120.51 122.37 3i55 n ALA 71 Ca -0.07 -1.34 -0.20 0.00 0.00 0.00 0.00 53.44 51.83 3i55 n ALA 71 Cb 0.51 1.08 -0.17 0.00 0.00 0.00 0.00 19.45 20.88 3i55 n ALA 71 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i55 s VAL 72 N -2.87 0.31 -0.49 0.00 1.01 -0.15 -2.11 120.40 116.10 3i55 s VAL 72 Ca 0.26 0.07 -0.27 0.00 0.00 0.00 0.00 61.98 62.03 3i55 s VAL 72 Cb 0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 3i55 s VAL 72 CO 0.19 0.20 1.81 -0.69 0.00 0.00 0.00 175.10 176.61 3i55 s VAL 73 N 1.37 3.44 -0.01 2.92 1.01 -0.89 -1.78 120.40 126.46 3i55 s VAL 73 Ca -0.04 0.36 -0.01 0.00 0.00 0.00 0.00 61.98 62.29 3i55 s VAL 73 Cb -0.13 -3.85 -0.26 0.00 0.00 0.00 0.00 36.38 32.14 3i55 s VAL 73 CO -0.02 -0.71 0.80 0.58 0.00 0.00 0.00 175.10 175.75 3i55 h VAL 74 N 6.83 1.08 -4.16 2.92 2.07 -1.45 -1.52 116.25 122.03 3i55 h VAL 74 Ca -0.29 -2.76 -0.12 0.00 0.82 0.00 0.00 66.70 64.35 3i55 h VAL 74 Cb 1.16 2.69 -0.15 0.00 -1.52 0.00 0.00 31.29 33.47 3i55 h VAL 74 CO 1.14 0.79 -0.60 -0.13 0.02 0.00 0.00 177.57 178.78 3i55 s ARG 75 N -2.61 0.70 0.10 1.57 0.52 -0.58 -3.39 118.95 115.27 3i55 s ARG 75 Ca -0.09 -1.19 -0.24 0.00 -0.52 0.00 0.00 55.73 53.69 3i55 s ARG 75 Cb 0.07 0.24 0.07 0.00 0.52 0.00 0.00 34.95 35.85 3i55 s ARG 75 CO 0.84 -0.17 0.60 1.14 0.02 0.00 0.00 175.30 177.73 3i55 s GLN 76 N -3.92 1.20 0.08 3.54 -2.07 -1.20 -1.10 119.66 116.18 3i55 s GLN 76 Ca 0.09 -0.30 -0.05 0.00 -1.82 0.00 0.00 55.36 53.27 3i55 s GLN 76 Cb 0.07 0.56 -0.28 0.00 -1.09 0.00 0.00 33.01 32.27 3i55 s GLN 76 CO -0.09 -0.49 1.14 0.00 -1.32 0.00 0.00 175.29 174.54 3i55 h ARG 77 N 2.30 0.28 -6.65 9.60 3.08 -1.73 -2.08 114.38 119.18 3i55 h ARG 77 Ca -0.32 -0.48 -0.52 0.00 0.07 0.00 0.00 59.98 58.72 3i55 h ARG 77 Cb 1.26 0.18 0.03 0.00 0.08 0.00 0.00 29.97 31.52 3i55 h ARG 77 CO 0.39 1.23 0.66 0.21 -1.07 0.00 0.00 179.97 181.39 3i55 s LYS 78 N -2.67 4.38 1.03 0.04 2.47 -1.26 -4.30 119.74 119.42 3i55 s LYS 78 Ca -0.04 2.05 -0.15 0.00 -1.56 0.00 0.00 55.97 56.27 3i55 s LYS 78 Cb 0.07 -3.21 0.08 0.00 -1.46 0.00 0.00 37.83 33.32 3i55 s LYS 78 CO 0.89 -0.29 0.35 -2.30 0.16 0.00 0.00 175.35 174.15 3i55 n PRO 79 N 2.91 -0.92 -3.87 4.03 -0.02 -1.26 -4.79 135.00 131.09 3i55 n PRO 79 Ca 0.07 -0.23 -0.11 0.00 -2.02 0.00 0.00 63.50 61.20 3i55 n PRO 79 Cb 0.43 -1.85 -0.12 0.00 -0.02 0.00 0.00 33.50 31.94 3i55 n PRO 79 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3i55 s ILE 80 N -2.35 0.05 -0.02 4.25 -4.36 -0.63 -3.98 121.20 114.16 3i55 s ILE 80 Ca 0.58 -0.39 -0.11 0.00 -0.26 0.00 0.00 60.65 60.47 3i55 s ILE 80 Cb -0.18 -0.27 -0.05 0.00 1.25 0.00 0.00 42.46 43.21 3i55 s ILE 80 CO 0.66 -0.21 0.33 -0.60 0.24 0.00 0.00 174.94 175.36 3i55 s ARG 81 N -0.68 3.75 0.13 0.37 3.52 0.87 -1.00 118.95 125.91 3i55 s ARG 81 Ca -0.08 0.20 0.07 0.00 -0.13 0.00 0.00 55.73 55.80 3i55 s ARG 81 Cb -0.05 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 30.14 3i55 s ARG 81 CO 0.00 0.69 -0.06 1.03 -0.81 0.00 0.00 175.30 176.16 3i55 s ARG 82 N -1.25 2.25 0.20 5.12 0.52 -0.35 -0.85 118.95 124.59 3i55 s ARG 82 Ca 0.23 -1.05 0.05 0.00 -0.52 0.00 0.00 55.73 54.44 3i55 s ARG 82 Cb -0.15 -2.34 0.57 0.00 0.52 0.00 0.00 34.95 33.56 3i55 s ARG 82 CO 0.12 0.49 0.96 -2.30 0.02 0.00 0.00 175.30 174.59 3i55 n PRO 83 N 0.38 -0.05 -0.11 3.54 -0.02 -1.26 0.25 135.00 137.73 3i55 n PRO 83 Ca -0.12 0.90 0.02 0.00 -2.02 0.00 0.00 63.50 62.28 3i55 n PRO 83 Cb 0.53 -1.48 0.06 0.00 -0.02 0.00 0.00 33.50 32.60 3i55 n PRO 83 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3i55 n ASP 84 N -4.67 1.32 0.00 2.55 5.75 -1.26 -4.88 116.55 115.35 3i55 n ASP 84 Ca 0.17 -2.09 0.00 0.00 -0.01 0.00 0.00 54.79 52.86 3i55 n ASP 84 Cb 0.56 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 3i55 n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i55 n GLY 85 N 0.35 2.95 3.76 6.12 0.00 0.70 -5.01 105.19 114.07 3i55 n GLY 85 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3i55 n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i55 s THR 86 N -1.71 2.58 0.28 2.61 2.01 -1.24 -4.58 115.64 115.59 3i55 s THR 86 Ca 0.00 0.46 0.03 0.00 0.31 0.00 0.00 61.69 62.49 3i55 s THR 86 Cb 0.00 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.24 3i55 s THR 86 CO 0.00 0.02 0.43 -0.13 -0.69 0.00 0.00 174.62 174.25 3i55 s ARG 87 N -2.65 3.45 -0.15 4.92 1.81 -1.26 -1.21 118.95 123.86 3i55 s ARG 87 Ca 0.65 -0.62 -0.06 0.00 -1.72 0.00 0.00 55.73 53.98 3i55 s ARG 87 Cb -0.36 -2.81 0.07 0.00 -0.45 0.00 0.00 34.95 31.40 3i55 s ARG 87 CO 0.44 0.32 0.32 0.08 -0.68 0.00 0.00 175.30 175.78 3i55 s VAL 88 N -2.10 -0.33 0.09 3.52 1.01 -0.17 -4.90 120.40 117.52 3i55 s VAL 88 Ca 0.36 0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.58 3i55 s VAL 88 Cb -0.09 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 3i55 s VAL 88 CO 0.31 0.08 -0.12 -1.59 0.00 0.00 0.00 175.10 173.78 3i55 s LYS 89 N 2.06 0.87 0.34 2.72 -2.85 -1.26 -1.60 119.74 120.02 3i55 s LYS 89 Ca -0.03 -1.10 0.08 0.00 -1.00 0.00 0.00 55.97 53.92 3i55 s LYS 89 Cb -0.11 -0.72 -0.03 0.00 -2.06 0.00 0.00 37.83 34.91 3i55 s LYS 89 CO -0.10 0.14 0.25 -0.06 0.10 0.00 0.00 175.35 175.67 3i55 s PHE 90 N -1.93 2.83 0.27 1.78 0.40 -0.78 -5.02 117.98 115.53 3i55 s PHE 90 Ca 0.03 -0.34 0.34 0.00 -0.60 0.00 0.00 56.93 56.36 3i55 s PHE 90 Cb -0.06 -1.76 1.56 0.00 0.51 0.00 0.00 43.02 43.27 3i55 s PHE 90 CO 0.02 0.22 2.06 1.49 0.70 0.00 0.00 175.22 179.71 3i55 h GLU 91 N 1.34 0.00 -3.02 0.44 4.22 -1.93 -3.37 114.58 112.25 3i55 h GLU 91 Ca -0.44 0.00 0.04 0.00 0.08 0.00 0.00 59.36 59.04 3i55 h GLU 91 Cb 1.25 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.43 3i55 h GLU 91 CO 0.60 0.04 0.21 0.16 -2.18 0.00 0.00 179.01 177.85 3i55 s ASP 92 N -5.70 -0.35 -0.02 1.04 -4.77 -1.26 -4.94 116.67 100.66 3i55 s ASP 92 Ca -0.01 -0.42 -0.15 0.00 -3.30 0.00 0.00 52.55 48.68 3i55 s ASP 92 Cb 0.11 0.68 -0.05 0.00 -1.09 0.00 0.00 42.92 42.56 3i55 s ASP 92 CO 0.53 -1.22 0.40 0.20 0.70 0.00 0.00 175.17 175.78 3i55 s ASN 93 N -2.87 6.77 -0.07 2.11 0.01 -1.26 -3.26 114.94 116.37 3i55 s ASN 93 Ca 0.08 0.92 -0.30 0.00 -0.71 0.00 0.00 52.86 52.85 3i55 s ASN 93 Cb -0.04 -2.24 0.10 0.00 0.41 0.00 0.00 41.25 39.47 3i55 s ASN 93 CO 0.00 0.30 0.82 0.00 -1.51 0.00 0.00 177.10 176.72 3i55 s ALA 94 N -0.92 -1.82 0.05 0.60 0.00 -0.26 -1.83 121.76 117.57 3i55 s ALA 94 Ca 0.23 1.31 -0.03 0.00 0.00 0.00 0.00 51.96 53.47 3i55 s ALA 94 Cb -0.16 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 3i55 s ALA 94 CO 0.12 -0.42 0.04 0.00 0.00 0.00 0.00 175.76 175.50 3i55 s ALA 95 N -1.62 0.21 -0.13 0.00 0.00 0.83 -1.06 121.76 119.99 3i55 s ALA 95 Ca -0.04 -0.89 -0.03 0.00 0.00 0.00 0.00 51.96 50.99 3i55 s ALA 95 Cb -0.00 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.37 3i55 s ALA 95 CO 0.02 -0.36 0.00 0.08 0.00 0.00 0.00 175.76 175.51 3i55 s VAL 96 N -3.33 4.27 0.84 0.00 1.01 -0.73 -1.93 120.40 120.52 3i55 s VAL 96 Ca 0.01 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 3i55 s VAL 96 Cb 0.03 -2.84 0.10 0.00 0.00 0.00 0.00 36.38 33.66 3i55 s VAL 96 CO -0.08 0.54 1.10 -0.63 0.00 0.00 0.00 175.10 176.03 3i55 s ILE 97 N -0.25 2.94 0.04 2.22 1.01 -1.26 -0.98 121.20 124.93 3i55 s ILE 97 Ca 0.06 0.31 -0.13 0.00 0.00 0.00 0.00 60.65 60.88 3i55 s ILE 97 Cb -0.12 -2.73 0.02 0.00 0.01 0.00 0.00 42.46 39.63 3i55 s ILE 97 CO 0.02 -0.40 0.30 -0.69 0.00 0.00 0.00 174.94 174.17 3i55 s VAL 98 N -2.88 0.08 0.68 2.92 1.01 0.77 -3.14 120.40 119.85 3i55 s VAL 98 Ca 0.63 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.96 3i55 s VAL 98 Cb -0.18 -0.94 0.13 0.00 0.00 0.00 0.00 36.38 35.39 3i55 s VAL 98 CO 0.57 -0.38 0.94 1.51 0.00 0.00 0.00 175.10 177.73 3i55 s ASP 99 N -2.07 4.55 0.40 3.32 1.47 -0.82 -4.16 116.67 119.37 3i55 s ASP 99 Ca -0.05 -0.68 0.19 0.00 1.18 0.00 0.00 52.55 53.19 3i55 s ASP 99 Cb -0.01 0.32 1.12 0.00 -0.34 0.00 0.00 42.92 44.01 3i55 s ASP 99 CO -0.03 -1.74 1.77 -0.08 0.68 0.00 0.00 175.17 175.76 3i55 h GLU 100 N -0.29 0.36 -0.51 2.11 4.81 -1.99 0.38 114.58 119.45 3i55 h GLU 100 Ca -0.32 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 3i55 h GLU 100 Cb 1.27 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.57 3i55 h GLU 100 CO 0.38 0.24 0.00 0.09 -0.73 0.00 0.00 179.01 178.99 3i55 n ASN 101 N -4.62 2.57 -3.03 1.04 3.02 -1.26 -4.93 115.26 108.06 3i55 n ASN 101 Ca 0.26 -2.15 -0.18 0.00 -0.03 0.00 0.00 54.58 52.47 3i55 n ASN 101 Cb 0.90 -0.37 0.07 0.00 -0.61 0.00 0.00 39.78 39.77 3i55 n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3i55 n GLU 102 N 0.58 -6.27 -5.23 3.52 1.02 0.13 -5.03 120.64 109.37 3i55 n GLU 102 Ca 0.14 0.68 -0.32 0.00 -0.02 0.00 0.00 57.16 57.65 3i55 n GLU 102 Cb 0.47 -5.27 -0.16 0.00 -0.02 0.00 0.00 31.44 26.45 3i55 n GLU 102 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3i55 s ASP 103 N -3.49 3.16 -0.28 1.62 1.01 -1.26 -4.70 116.67 112.73 3i55 s ASP 103 Ca 0.36 -0.49 -0.39 0.00 0.71 0.00 0.00 52.55 52.74 3i55 s ASP 103 Cb -0.16 -0.91 -0.14 0.00 1.01 0.00 0.00 42.92 42.72 3i55 s ASP 103 CO 0.60 0.24 1.87 -0.81 0.21 0.00 0.00 175.17 177.28 3i55 n PRO 104 N 2.97 1.24 -0.13 8.23 -0.04 -1.26 -1.94 135.00 144.07 3i55 n PRO 104 Ca -0.18 0.43 -0.05 0.00 -0.04 0.00 0.00 63.50 63.67 3i55 n PRO 104 Cb 0.52 -2.23 0.04 0.00 -0.04 0.00 0.00 33.50 31.79 3i55 n PRO 104 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3i55 h ARG 105 N 8.62 0.33 0.00 0.54 2.43 -1.87 -3.43 114.38 121.02 3i55 h ARG 105 Ca -0.41 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 3i55 h ARG 105 Cb 1.32 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3i55 h ARG 105 CO 0.98 0.22 0.00 0.41 -1.51 0.00 0.00 179.97 180.07 3i55 n GLY 106 N -1.24 -2.15 0.00 2.80 0.00 -1.26 -4.99 105.19 98.35 3i55 n GLY 106 Ca 0.03 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.78 3i55 n GLY 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i55 n THR 107 N -0.37 0.00 -4.69 2.61 -1.04 -1.26 -5.01 114.28 104.53 3i55 n THR 107 Ca 0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.77 3i55 n THR 107 Cb 0.00 -0.48 -0.16 0.00 -1.82 0.00 0.00 70.33 67.88 3i55 n THR 107 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3i55 s GLU 108 N -1.68 1.40 0.10 -2.82 8.01 -1.26 -4.99 118.70 117.45 3i55 s GLU 108 Ca 0.00 -0.51 -0.18 0.00 0.01 0.00 0.00 54.97 54.29 3i55 s GLU 108 Cb 0.00 -1.27 -0.07 0.00 -4.31 0.00 0.00 34.13 28.48 3i55 s GLU 108 CO 0.00 0.24 0.57 -0.51 0.01 0.00 0.00 175.26 175.57 3i55 s LEU 109 N -0.05 4.47 -0.09 1.80 1.43 -1.23 -2.83 118.68 122.17 3i55 s LEU 109 Ca -0.00 1.22 -0.08 0.00 -1.03 0.00 0.00 54.13 54.24 3i55 s LEU 109 Cb -0.09 -3.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.06 3i55 s LEU 109 CO 0.01 0.22 0.18 -0.54 0.23 0.00 0.00 176.35 176.44 3i55 s LYS 110 N -1.38 3.50 0.14 1.70 1.02 -1.21 -4.55 119.74 118.96 3i55 s LYS 110 Ca 0.32 -0.08 0.00 0.00 0.02 0.00 0.00 55.97 56.23 3i55 s LYS 110 Cb -0.18 -3.18 0.00 0.00 -0.52 0.00 0.00 37.83 33.95 3i55 s LYS 110 CO 0.19 0.76 0.00 0.41 -0.92 0.00 0.00 175.35 175.79 3i55 n GLY 111 N 1.84 -1.65 3.91 -3.33 0.00 -1.26 -4.70 105.19 100.00 3i55 n GLY 111 Ca -0.18 -1.38 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 3i55 n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i55 s PRO 112 N -1.68 1.89 0.06 1.61 0.04 -1.26 -4.44 135.00 131.23 3i55 s PRO 112 Ca 0.00 0.04 0.01 0.00 0.04 0.00 0.00 61.00 61.09 3i55 s PRO 112 Cb 0.00 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 3i55 s PRO 112 CO 0.00 -1.62 -0.06 0.42 0.04 0.00 0.00 177.00 175.78 3i55 s ILE 113 N -3.57 0.51 0.21 0.56 1.01 -0.73 -4.81 121.20 114.38 3i55 s ILE 113 Ca 0.63 -1.52 -0.27 0.00 0.00 0.00 0.00 60.65 59.48 3i55 s ILE 113 Cb -0.10 -1.15 -0.08 0.00 0.01 0.00 0.00 42.46 41.13 3i55 s ILE 113 CO 0.49 -0.69 0.85 0.00 0.00 0.00 0.00 174.94 175.59 3i55 s ALA 114 N -2.69 3.39 0.56 9.38 0.00 -1.22 -0.15 121.76 131.02 3i55 s ALA 114 Ca 0.01 0.48 0.24 0.00 0.00 0.00 0.00 51.96 52.69 3i55 s ALA 114 Cb -0.01 -3.07 1.51 0.00 0.00 0.00 0.00 23.12 21.54 3i55 s ALA 114 CO -0.03 0.25 2.12 0.07 0.00 0.00 0.00 175.76 178.17 3i55 h ARG 115 N 4.19 0.00 0.00 0.00 0.11 0.90 -1.22 114.38 118.35 3i55 h ARG 115 Ca -0.46 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.54 3i55 h ARG 115 Cb 1.20 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.27 3i55 h ARG 115 CO 0.67 0.00 -0.38 0.93 0.10 0.00 0.00 179.97 181.28 3i55 h GLU 116 N 0.00 0.00 -0.27 0.08 3.07 -1.88 -3.13 114.58 112.46 3i55 h GLU 116 Ca 0.08 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.82 3i55 h GLU 116 Cb 0.37 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.28 3i55 h GLU 116 CO -0.00 0.38 -0.31 0.28 -1.40 0.00 0.00 179.01 177.97 3i55 h VAL 117 N 0.00 1.31 -0.59 3.13 2.07 -1.57 -3.15 116.25 117.44 3i55 h VAL 117 Ca -0.00 -1.48 0.12 0.00 0.82 0.00 0.00 66.70 66.15 3i55 h VAL 117 Cb 0.94 1.63 -0.09 0.00 -1.52 0.00 0.00 31.29 32.25 3i55 h VAL 117 CO 0.05 0.47 0.07 0.00 0.02 0.00 0.00 177.57 178.18 3i55 h ALA 118 N 0.69 0.65 -0.00 1.67 0.00 -1.55 -1.29 119.26 119.42 3i55 h ALA 118 Ca 0.04 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3i55 h ALA 118 Cb 0.88 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3i55 h ALA 118 CO 0.07 -0.35 0.00 1.04 0.00 0.00 0.00 179.25 180.01 3i55 n GLN 119 N -5.20 0.00 0.29 0.00 6.02 -1.19 -2.67 117.38 114.63 3i55 n GLN 119 Ca 0.09 0.89 -0.17 0.00 -0.01 0.00 0.00 57.00 57.79 3i55 n GLN 119 Cb 0.33 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.00 3i55 n GLN 119 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i55 h ARG 120 N 0.00 -0.94 -3.98 -1.09 3.08 -1.57 -3.35 114.38 106.52 3i55 h ARG 120 Ca 0.00 0.06 -0.74 0.00 0.07 0.00 0.00 59.98 59.37 3i55 h ARG 120 Cb 0.00 0.21 -0.29 0.00 0.08 0.00 0.00 29.97 29.98 3i55 h ARG 120 CO 0.00 -0.63 -0.21 -0.06 -1.07 0.00 0.00 179.97 178.00 3i55 s PHE 121 N -5.69 3.50 -0.03 3.04 0.40 -0.51 -4.94 117.98 113.74 3i55 s PHE 121 Ca -0.17 -1.99 -0.26 0.00 -0.60 0.00 0.00 56.93 53.91 3i55 s PHE 121 Cb 0.04 -3.58 -0.21 0.00 0.51 0.00 0.00 43.02 39.78 3i55 s PHE 121 CO 0.57 -0.97 1.21 0.78 0.70 0.00 0.00 175.22 177.51 3i55 h GLY 122 N 8.03 0.03 1.25 4.36 0.00 -1.65 -2.77 103.07 112.31 3i55 h GLY 122 Ca -0.09 -0.03 0.05 0.00 0.00 0.00 0.00 47.33 47.26 3i55 h GLY 122 CO 0.83 0.03 0.33 1.48 0.00 0.00 0.00 176.54 179.20 3i55 h SER 123 N -0.52 0.00 0.03 0.19 4.64 -1.88 0.77 113.55 116.77 3i55 h SER 123 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 3i55 h SER 123 Cb 0.57 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.68 3i55 h SER 123 CO 0.00 0.00 -0.68 0.58 -0.87 0.00 0.00 176.83 175.86 3i55 h VAL 124 N 0.00 1.43 0.51 0.95 2.07 -1.82 -3.32 116.25 116.07 3i55 h VAL 124 Ca 0.08 -2.17 -0.02 0.00 0.82 0.00 0.00 66.70 65.40 3i55 h VAL 124 Cb 0.73 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 33.19 3i55 h VAL 124 CO -0.00 0.63 -0.24 0.00 0.02 0.00 0.00 177.57 177.98 3i55 h ALA 125 N 0.29 -0.68 0.00 1.67 0.00 0.62 -2.90 119.26 118.26 3i55 h ALA 125 Ca -0.09 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3i55 h ALA 125 Cb 1.41 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 3i55 h ALA 125 CO 0.13 -0.86 0.14 -1.13 0.00 0.00 0.00 179.25 177.53 3i55 n SER 126 N -5.36 1.79 0.00 0.00 3.41 0.95 0.11 113.62 114.52 3i55 n SER 126 Ca -0.12 -1.72 0.00 0.00 -0.26 0.00 0.00 58.87 56.77 3i55 n SER 126 Cb 0.29 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 3i55 n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i55 n ALA 127 N 2.53 0.14 -2.66 7.33 0.00 -1.11 -4.95 120.51 121.79 3i55 n ALA 127 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.15 3i55 n ALA 127 Cb 0.27 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.65 3i55 n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i55 s ALA 128 N 0.00 3.54 0.01 0.00 0.00 0.30 -3.47 121.76 122.14 3i55 s ALA 128 Ca 0.00 -0.38 -0.07 0.00 0.00 0.00 0.00 51.96 51.51 3i55 s ALA 128 Cb 0.00 -2.84 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 3i55 s ALA 128 CO 0.00 -0.46 1.01 1.15 0.00 0.00 0.00 175.76 177.46 3i55 h THR 129 N 5.13 0.00 -3.28 0.00 2.02 -1.82 -3.44 112.91 111.52 3i55 h THR 129 Ca -0.33 -0.02 -0.68 0.00 0.77 0.00 0.00 66.41 66.14 3i55 h THR 129 Cb 1.15 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.42 3i55 h THR 129 CO 0.75 0.00 -0.61 -0.04 0.37 0.00 0.00 175.52 175.98 3i55 s MET 130 N -3.39 3.01 -0.24 6.66 -1.94 -1.26 -5.08 119.30 117.05 3i55 s MET 130 Ca -0.04 -0.39 -0.03 0.00 -1.71 0.00 0.00 55.69 53.52 3i55 s MET 130 Cb 0.00 -2.82 0.08 0.00 2.01 0.00 0.00 34.83 34.10 3i55 s MET 130 CO 0.12 0.71 0.09 0.42 -0.01 0.00 0.00 175.02 176.34 3i55 s ILE 131 N -0.89 0.25 -2.88 2.53 1.01 -1.26 -1.77 121.20 118.19 3i55 s ILE 131 Ca 0.13 -0.67 0.23 0.00 0.00 0.00 0.00 60.65 60.35 3i55 s ILE 131 Cb -0.11 -1.01 0.18 0.00 0.01 0.00 0.00 42.46 41.53 3i55 s ILE 131 CO 0.02 -0.47 1.23 0.52 0.00 0.00 0.00 174.94 176.25