#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i20 n ILE 2 N 0.00 1.18 -1.50 2.02 -0.00 0.22 -4.85 119.36 116.43 3i20 n ILE 2 Ca 0.00 -0.34 0.01 0.00 -0.00 0.00 0.00 62.75 62.42 3i20 n ILE 2 Cb 0.00 -1.65 -0.01 0.00 -0.00 0.00 0.00 39.64 37.99 3i20 n ILE 2 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.55 178.22 3i20 n GLN 3 N -3.75 -3.47 -1.38 0.38 7.27 -1.26 -4.61 117.38 110.57 3i20 n GLN 3 Ca -0.41 2.70 -0.35 0.00 0.07 0.00 0.00 57.00 59.01 3i20 n GLN 3 Cb 0.82 -3.50 0.09 0.00 2.41 0.00 0.00 30.24 30.07 3i20 n GLN 3 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 3i20 n GLU 4 N -2.65 0.56 0.00 3.69 1.02 -1.26 -4.08 120.64 117.92 3i20 n GLU 4 Ca -0.01 0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 3i20 n GLU 4 Cb 0.43 -2.31 0.00 0.00 -0.02 0.00 0.00 31.44 29.53 3i20 n GLU 4 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3i20 n GLN 5 N -2.12 0.00 -2.07 3.49 1.13 -0.67 -5.02 117.38 112.12 3i20 n GLN 5 Ca 0.14 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.18 3i20 n GLN 5 Cb 0.49 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.83 3i20 n GLN 5 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3i20 n THR 6 N 0.00 -7.64 -0.87 5.09 -1.04 -1.26 -3.42 114.28 105.14 3i20 n THR 6 Ca 0.00 1.23 -0.30 0.00 -2.04 0.00 0.00 64.05 62.94 3i20 n THR 6 Cb 0.00 -5.19 0.17 0.00 -1.82 0.00 0.00 70.33 63.48 3i20 n THR 6 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 3i20 s MET 7 N -0.83 0.85 0.17 -2.82 -1.94 -1.26 -1.85 119.30 111.63 3i20 s MET 7 Ca -0.09 1.18 -0.17 0.00 -1.71 0.00 0.00 55.69 54.89 3i20 s MET 7 Cb 0.01 -1.74 0.03 0.00 2.01 0.00 0.00 34.83 35.15 3i20 s MET 7 CO 0.40 -2.62 0.48 -0.48 -0.01 0.00 0.00 175.02 172.79 3i20 s LEU 8 N -6.54 0.13 0.82 -0.03 2.34 0.05 -4.89 118.68 110.55 3i20 s LEU 8 Ca 0.65 -0.38 -0.06 0.00 0.06 0.00 0.00 54.13 54.41 3i20 s LEU 8 Cb -0.21 2.07 0.17 0.00 -0.56 0.00 0.00 46.19 47.66 3i20 s LEU 8 CO 0.59 -0.97 1.12 0.20 -1.06 0.00 0.00 176.35 176.23 3i20 s ASN 9 N -2.84 3.80 0.01 1.48 0.01 0.88 -2.51 114.94 115.78 3i20 s ASN 9 Ca 0.06 -0.24 0.04 0.00 -0.71 0.00 0.00 52.86 52.01 3i20 s ASN 9 Cb 0.00 0.04 -0.01 0.00 0.41 0.00 0.00 41.25 41.69 3i20 s ASN 9 CO -0.07 -2.25 -0.14 -0.69 -1.51 0.00 0.00 177.10 172.45 3i20 s VAL 10 N -3.42 1.07 -0.26 1.60 1.01 -1.25 -1.70 120.40 117.44 3i20 s VAL 10 Ca 0.70 -0.75 0.12 0.00 0.00 0.00 0.00 61.98 62.05 3i20 s VAL 10 Cb -0.04 -0.93 0.54 0.00 0.00 0.00 0.00 36.38 35.96 3i20 s VAL 10 CO 0.48 0.17 1.51 0.00 0.00 0.00 0.00 175.10 177.26 3i20 n ALA 11 N 2.39 3.91 -2.34 5.51 0.00 -0.33 -4.89 120.51 124.78 3i20 n ALA 11 Ca -0.16 -2.75 -0.09 0.00 0.00 0.00 0.00 53.44 50.45 3i20 n ALA 11 Cb 0.55 -0.82 -0.09 0.00 0.00 0.00 0.00 19.45 19.10 3i20 n ALA 11 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3i20 s ASP 12 N -2.12 0.27 0.00 0.00 1.47 -1.26 0.64 116.67 115.68 3i20 s ASP 12 Ca 0.45 -0.93 0.00 0.00 1.18 0.00 0.00 52.55 53.25 3i20 s ASP 12 Cb 0.39 0.30 0.00 0.00 -0.34 0.00 0.00 42.92 43.27 3i20 s ASP 12 CO 0.05 -0.72 0.00 -0.46 0.68 0.00 0.00 175.17 174.72 3i20 n ASN 13 N -0.04 0.00 0.00 2.11 0.23 -1.18 -4.72 115.26 111.65 3i20 n ASN 13 Ca -0.11 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.94 3i20 n ASN 13 Cb 0.62 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.32 3i20 n ASN 13 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3i20 n SER 14 N 0.00 -4.04 0.00 0.53 3.41 -1.26 -3.07 113.62 109.19 3i20 n SER 14 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3i20 n SER 14 Cb 0.00 -2.70 0.00 0.00 -0.26 0.00 0.00 64.21 61.25 3i20 n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i20 n GLY 15 N -0.33 2.76 0.00 5.00 0.00 -1.26 -2.91 105.19 108.44 3i20 n GLY 15 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i20 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i20 n ALA 16 N -0.13 0.00 -0.17 4.61 0.00 -1.17 -1.44 120.51 122.21 3i20 n ALA 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i20 n ALA 16 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i20 n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i20 n ARG 17 N 0.00 0.00 -4.77 0.00 5.12 -1.26 -1.65 116.66 114.09 3i20 n ARG 17 Ca 0.00 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.67 3i20 n ARG 17 Cb 0.00 0.00 -0.16 0.00 -1.16 0.00 0.00 32.46 31.14 3i20 n ARG 17 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3i20 s ARG 18 N 0.00 1.70 0.01 5.56 1.81 -1.26 -3.83 118.95 122.94 3i20 s ARG 18 Ca 0.00 -0.56 0.00 0.00 -1.72 0.00 0.00 55.73 53.45 3i20 s ARG 18 Cb 0.00 -1.48 -0.01 0.00 -0.45 0.00 0.00 34.95 33.01 3i20 s ARG 18 CO 0.00 0.21 -0.02 0.54 -0.68 0.00 0.00 175.30 175.35 3i20 s VAL 19 N 0.11 0.08 -0.16 3.52 0.11 -1.04 0.00 120.40 123.02 3i20 s VAL 19 Ca -0.05 -0.49 -0.00 0.00 -2.93 0.00 0.00 61.98 58.51 3i20 s VAL 19 Cb -0.12 -0.16 -0.00 0.00 -1.53 0.00 0.00 36.38 34.57 3i20 s VAL 19 CO 0.02 -0.26 -0.14 -0.32 -3.33 0.00 0.00 175.10 171.07 3i20 s MET 20 N -0.78 3.24 -0.02 1.54 1.75 -0.16 -0.77 119.30 124.10 3i20 s MET 20 Ca -0.08 -0.73 -0.30 0.00 -1.25 0.00 0.00 55.69 53.32 3i20 s MET 20 Cb -0.05 -2.66 -0.06 0.00 2.84 0.00 0.00 34.83 34.89 3i20 s MET 20 CO -0.01 0.00 1.58 0.00 -0.65 0.00 0.00 175.02 175.94 3i20 n ILE 22 N 5.14 0.50 -3.65 0.00 -5.35 0.51 -1.67 119.36 114.83 3i20 n ILE 22 Ca 0.16 -0.75 -0.03 0.00 -0.27 0.00 0.00 62.75 61.86 3i20 n ILE 22 Cb 0.43 0.89 -0.07 0.00 -1.74 0.00 0.00 39.64 39.15 3i20 n ILE 22 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 3i20 s LYS 23 N -1.05 0.10 -0.45 6.28 2.20 -1.12 -4.94 119.74 120.76 3i20 s LYS 23 Ca 0.21 0.13 -0.17 0.00 -0.36 0.00 0.00 55.97 55.78 3i20 s LYS 23 Cb 0.13 0.05 0.04 0.00 -1.51 0.00 0.00 37.83 36.53 3i20 s LYS 23 CO 0.17 -0.01 0.46 0.08 -0.36 0.00 0.00 175.35 175.70 3i20 s VAL 24 N 0.16 5.08 0.61 4.02 1.01 -1.26 -0.45 120.40 129.57 3i20 s VAL 24 Ca 0.05 -0.58 -0.15 0.00 0.00 0.00 0.00 61.98 61.31 3i20 s VAL 24 Cb -0.05 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 3i20 s VAL 24 CO -0.14 -0.55 1.05 -0.76 0.00 0.00 0.00 175.10 174.70 3i20 s LEU 25 N 2.11 3.43 0.00 3.92 1.43 -1.23 -4.51 118.68 123.83 3i20 s LEU 25 Ca 0.10 1.75 0.00 0.00 -1.03 0.00 0.00 54.13 54.96 3i20 s LEU 25 Cb -0.19 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.50 3i20 s LEU 25 CO 0.11 -1.17 0.00 0.61 0.23 0.00 0.00 176.35 176.13 3i20 n GLY 26 N -1.24 0.86 0.00 -3.19 0.00 -1.26 -4.78 105.19 95.58 3i20 n GLY 26 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3i20 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i20 n GLY 27 N 0.00 1.16 3.63 -0.02 0.00 -1.26 -4.99 105.19 103.70 3i20 n GLY 27 Ca 0.00 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 3i20 n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i20 s SER 28 N 0.00 6.15 0.00 1.61 1.04 -1.26 -2.81 113.70 118.43 3i20 s SER 28 Ca 0.00 1.95 0.00 0.00 0.48 0.00 0.00 55.95 58.38 3i20 s SER 28 Cb 0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 3i20 s SER 28 CO 0.00 -1.39 0.00 1.41 0.98 0.00 0.00 173.24 174.24 3i20 n HIS 29 N 9.08 0.00 -1.64 5.02 8.25 -1.26 -5.02 115.22 129.66 3i20 n HIS 29 Ca 0.22 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 57.22 3i20 n HIS 29 Cb 0.44 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.52 3i20 n HIS 29 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 3i20 n ARG 30 N -2.00 1.70 -0.12 -0.41 0.63 -1.12 -4.93 116.66 110.40 3i20 n ARG 30 Ca 0.00 0.60 -0.19 0.00 -0.92 0.00 0.00 57.85 57.34 3i20 n ARG 30 Cb 0.00 -2.17 -0.12 0.00 0.45 0.00 0.00 32.46 30.62 3i20 n ARG 30 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3i20 n ARG 31 N 1.61 0.66 -4.09 -0.14 1.74 -1.26 -4.81 116.66 110.36 3i20 n ARG 31 Ca 0.12 0.17 -0.11 0.00 -0.77 0.00 0.00 57.85 57.25 3i20 n ARG 31 Cb 0.30 -1.54 -0.11 0.00 -1.02 0.00 0.00 32.46 30.10 3i20 n ARG 31 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3i20 s TYR 32 N -2.52 0.70 -0.02 -1.55 2.02 -1.26 -4.08 117.35 110.63 3i20 s TYR 32 Ca -0.34 -0.68 0.05 0.00 -0.37 0.00 0.00 57.07 55.73 3i20 s TYR 32 Cb 0.09 -0.42 -0.01 0.00 -0.40 0.00 0.00 41.96 41.22 3i20 s TYR 32 CO 0.61 -0.14 -0.17 0.00 -1.57 0.00 0.00 175.55 174.28 3i20 s ALA 33 N -2.31 1.45 0.00 3.71 0.00 -1.26 -4.84 121.76 118.50 3i20 s ALA 33 Ca -0.02 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.23 3i20 s ALA 33 Cb -0.04 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.67 3i20 s ALA 33 CO -0.02 0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.46 3i20 n GLY 34 N 2.86 4.02 0.00 0.00 0.00 -1.26 -0.61 105.19 110.20 3i20 n GLY 34 Ca -0.16 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.41 3i20 n GLY 34 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i20 n VAL 35 N 0.00 0.00 -2.67 1.61 0.31 -1.26 -3.14 118.33 113.18 3i20 n VAL 35 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 3i20 n VAL 35 Cb 0.00 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 32.98 3i20 n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i20 n GLY 36 N 0.00 1.50 3.85 2.92 0.00 -1.26 -4.44 105.19 107.76 3i20 n GLY 36 Ca 0.00 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 3i20 n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i20 s ASP 37 N -2.72 3.25 -0.00 1.61 1.01 -1.19 -4.71 116.67 113.92 3i20 s ASP 37 Ca 0.26 0.58 -0.00 0.00 0.71 0.00 0.00 52.55 54.10 3i20 s ASP 37 Cb 0.45 -0.87 -0.04 0.00 1.01 0.00 0.00 42.92 43.47 3i20 s ASP 37 CO 0.01 -2.68 0.08 -0.63 0.21 0.00 0.00 175.17 172.16 3i20 s ILE 38 N -3.57 4.69 0.11 0.77 -1.09 -1.26 -2.15 121.20 118.70 3i20 s ILE 38 Ca 0.69 -0.43 0.00 0.00 -2.23 0.00 0.00 60.65 58.67 3i20 s ILE 38 Cb -0.09 -3.15 -0.04 0.00 -1.58 0.00 0.00 42.46 37.60 3i20 s ILE 38 CO 0.52 0.34 0.00 -0.51 -1.23 0.00 0.00 174.94 174.07 3i20 s ILE 39 N -1.20 0.36 -0.06 2.92 2.07 -0.73 -3.52 121.20 121.04 3i20 s ILE 39 Ca 0.23 -1.90 0.03 0.00 -1.41 0.00 0.00 60.65 57.59 3i20 s ILE 39 Cb -0.12 -1.87 -0.03 0.00 0.13 0.00 0.00 42.46 40.58 3i20 s ILE 39 CO 0.14 -0.67 -0.13 -0.75 -1.91 0.00 0.00 174.94 171.62 3i20 s LYS 40 N -3.95 2.63 0.03 3.50 2.47 0.41 -2.61 119.74 122.23 3i20 s LYS 40 Ca 0.18 -0.67 0.02 0.00 -1.56 0.00 0.00 55.97 53.93 3i20 s LYS 40 Cb 0.07 -2.44 -0.02 0.00 -1.46 0.00 0.00 37.83 33.98 3i20 s LYS 40 CO -0.02 0.59 -0.06 -1.50 0.16 0.00 0.00 175.35 174.51 3i20 s ILE 41 N -0.63 0.43 -0.06 5.43 1.10 0.20 -0.37 121.20 127.30 3i20 s ILE 41 Ca 0.09 -0.98 0.05 0.00 -0.51 0.00 0.00 60.65 59.30 3i20 s ILE 41 Cb -0.11 -0.51 -0.00 0.00 0.15 0.00 0.00 42.46 41.99 3i20 s ILE 41 CO 0.01 -0.38 -0.22 0.28 -2.11 0.00 0.00 174.94 172.52 3i20 s THR 42 N -1.32 1.84 0.07 4.00 -1.32 -0.24 -1.23 115.64 117.45 3i20 s THR 42 Ca -0.11 -0.93 -0.31 0.00 -1.21 0.00 0.00 61.69 59.13 3i20 s THR 42 Cb -0.09 -1.58 -0.07 0.00 -1.51 0.00 0.00 72.50 69.25 3i20 s THR 42 CO 0.00 0.52 1.40 -0.63 -2.21 0.00 0.00 174.62 173.70 3i20 s ILE 43 N 0.05 3.45 -0.01 5.08 -1.09 0.53 -0.99 121.20 128.23 3i20 s ILE 43 Ca -0.08 0.98 0.04 0.00 -2.23 0.00 0.00 60.65 59.36 3i20 s ILE 43 Cb -0.14 -3.63 -0.06 0.00 -1.58 0.00 0.00 42.46 37.05 3i20 s ILE 43 CO 0.05 0.04 0.08 0.29 -1.23 0.00 0.00 174.94 174.16 3i20 n LYS 44 N 4.55 0.66 0.00 2.79 4.76 -0.31 -2.05 118.16 128.57 3i20 n LYS 44 Ca 0.12 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 3i20 n LYS 44 Cb 0.43 -1.10 0.00 0.00 -1.84 0.00 0.00 35.03 32.52 3i20 n LYS 44 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3i20 n GLU 45 N -1.72 0.00 -1.24 1.97 -0.58 0.10 -4.91 120.64 114.26 3i20 n GLU 45 Ca -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 3i20 n GLU 45 Cb 0.19 -0.01 0.00 0.00 -0.57 0.00 0.00 31.44 31.05 3i20 n GLU 45 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i20 n ALA 46 N -1.28 -2.39 -2.46 0.62 0.00 -0.66 -4.72 120.51 109.62 3i20 n ALA 46 Ca 0.00 0.30 -0.29 0.00 0.00 0.00 0.00 53.44 53.45 3i20 n ALA 46 Cb 0.00 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.31 3i20 n ALA 46 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3i20 s ILE 47 N -1.40 4.98 0.00 0.00 1.10 -0.52 -4.88 121.20 120.48 3i20 s ILE 47 Ca 0.00 0.16 0.00 0.00 -0.51 0.00 0.00 60.65 60.30 3i20 s ILE 47 Cb 0.00 -3.73 0.00 0.00 0.15 0.00 0.00 42.46 38.88 3i20 s ILE 47 CO 0.00 -0.35 0.71 -2.65 -2.11 0.00 0.00 174.94 170.54 3i20 n PRO 48 N -0.98 0.00 0.00 3.50 -0.02 -1.26 -4.45 135.00 131.79 3i20 n PRO 48 Ca -0.01 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3i20 n PRO 48 Cb 0.54 -1.21 0.00 0.00 -0.02 0.00 0.00 33.50 32.81 3i20 n PRO 48 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3i20 n ARG 49 N -1.60 0.00 -1.13 -0.52 0.00 -1.26 -4.99 116.66 107.16 3i20 n ARG 49 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.97 3i20 n ARG 49 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.41 3i20 n ARG 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i20 n GLY 50 N 0.72 -1.77 0.17 5.14 0.00 -1.26 -4.78 105.19 103.42 3i20 n GLY 50 Ca 0.00 -0.70 -0.06 0.00 0.00 0.00 0.00 46.02 45.26 3i20 n GLY 50 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3i20 h LYS 51 N -1.27 -0.33 -7.23 1.61 3.11 -1.93 -3.47 116.57 107.07 3i20 h LYS 51 Ca -0.06 0.02 -0.47 0.00 -2.81 0.00 0.00 60.65 57.33 3i20 h LYS 51 Cb 1.22 0.07 0.10 0.00 -1.00 0.00 0.00 32.23 32.62 3i20 h LYS 51 CO 0.03 -0.16 0.16 0.14 -2.81 0.00 0.00 179.45 176.81 3i20 s VAL 52 N -2.79 2.05 0.35 2.00 -7.23 -1.15 -5.00 120.40 108.62 3i20 s VAL 52 Ca -0.06 -0.53 0.03 0.00 -1.81 0.00 0.00 61.98 59.61 3i20 s VAL 52 Cb 0.00 -2.52 -0.01 0.00 0.56 0.00 0.00 36.38 34.41 3i20 s VAL 52 CO 0.20 0.00 0.39 -1.59 -0.31 0.00 0.00 175.10 173.80 3i20 s LYS 53 N -5.28 1.87 0.67 4.82 -2.85 -1.26 -4.77 119.74 112.95 3i20 s LYS 53 Ca 0.69 -1.91 -0.17 0.00 -1.00 0.00 0.00 55.97 53.58 3i20 s LYS 53 Cb -0.04 0.39 0.01 0.00 -2.06 0.00 0.00 37.83 36.12 3i20 s LYS 53 CO 0.46 -0.74 1.27 0.15 0.10 0.00 0.00 175.35 176.59 3i20 s LYS 54 N -3.17 2.41 0.00 1.78 1.02 -1.26 -3.00 119.74 117.52 3i20 s LYS 54 Ca 0.35 1.98 0.00 0.00 0.02 0.00 0.00 55.97 58.33 3i20 s LYS 54 Cb 0.01 -1.84 0.00 0.00 -0.52 0.00 0.00 37.83 35.48 3i20 s LYS 54 CO 0.25 -1.68 0.00 0.41 -0.92 0.00 0.00 175.35 173.40 3i20 n GLY 55 N 0.78 0.48 3.79 -3.33 0.00 -0.87 -4.94 105.19 101.09 3i20 n GLY 55 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3i20 n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i20 s ASP 56 N -2.35 5.53 -0.32 1.61 -0.00 -1.16 -4.75 116.67 115.23 3i20 s ASP 56 Ca 0.00 1.93 -0.01 0.00 -0.00 0.00 0.00 52.55 54.47 3i20 s ASP 56 Cb 0.00 -2.55 0.11 0.00 -0.00 0.00 0.00 42.92 40.48 3i20 s ASP 56 CO 0.00 -1.34 0.12 -0.69 -0.00 0.00 0.00 175.17 173.27 3i20 s VAL 57 N -2.32 0.72 0.00 -1.27 1.01 -1.26 -0.35 120.40 116.93 3i20 s VAL 57 Ca 0.66 -1.43 0.00 0.00 0.00 0.00 0.00 61.98 61.21 3i20 s VAL 57 Cb -0.19 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.65 3i20 s VAL 57 CO 0.37 -0.73 0.00 0.00 0.00 0.00 0.00 175.10 174.74 3i20 n LEU 58 N 4.73 0.00 -4.93 3.92 -0.00 -0.37 -4.93 117.00 115.43 3i20 n LEU 58 Ca -0.01 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.77 3i20 n LEU 58 Cb 0.41 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.83 3i20 n LEU 58 CO 0.12 0.00 0.11 -0.54 -0.00 0.00 0.00 177.39 177.08 3i20 s LYS 59 N 0.06 2.32 -0.17 1.47 1.02 -1.16 0.62 119.74 123.90 3i20 s LYS 59 Ca 0.00 -1.84 -0.30 0.00 0.02 0.00 0.00 55.97 53.84 3i20 s LYS 59 Cb 0.00 -2.28 0.14 0.00 -0.52 0.00 0.00 37.83 35.17 3i20 s LYS 59 CO 0.00 -0.60 1.08 0.00 -0.92 0.00 0.00 175.35 174.91 3i20 s ALA 60 N -2.69 -1.97 -0.31 5.17 0.00 -1.07 -0.53 121.76 120.35 3i20 s ALA 60 Ca 0.43 1.57 -0.13 0.00 0.00 0.00 0.00 51.96 53.83 3i20 s ALA 60 Cb -0.03 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 3i20 s ALA 60 CO 0.27 -0.38 0.28 0.08 0.00 0.00 0.00 175.76 176.00 3i20 s VAL 61 N -1.52 5.25 0.22 0.00 1.01 -0.31 -1.77 120.40 123.28 3i20 s VAL 61 Ca 0.03 0.12 -0.32 0.00 0.00 0.00 0.00 61.98 61.81 3i20 s VAL 61 Cb -0.01 -3.67 -0.14 0.00 0.00 0.00 0.00 36.38 32.56 3i20 s VAL 61 CO -0.02 0.09 1.34 0.52 0.00 0.00 0.00 175.10 177.03 3i20 n VAL 62 N 5.12 0.93 -0.00 2.92 0.31 -0.91 -1.33 118.33 125.37 3i20 n VAL 62 Ca -0.11 -0.23 -0.00 0.00 -0.01 0.00 0.00 64.34 63.98 3i20 n VAL 62 Cb 0.51 -1.29 -0.00 0.00 -0.91 0.00 0.00 33.84 32.14 3i20 n VAL 62 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3i20 n VAL 63 N 1.80 0.03 -4.09 2.52 0.31 0.33 -4.13 118.33 115.09 3i20 n VAL 63 Ca 0.13 -0.02 -0.14 0.00 -0.01 0.00 0.00 64.34 64.30 3i20 n VAL 63 Cb 0.29 -0.95 -0.13 0.00 -0.91 0.00 0.00 33.84 32.15 3i20 n VAL 63 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3i20 s ARG 64 N -2.01 0.47 0.11 5.55 0.52 -0.60 -4.55 118.95 118.43 3i20 s ARG 64 Ca -0.00 -0.50 -0.06 0.00 -0.52 0.00 0.00 55.73 54.64 3i20 s ARG 64 Cb 0.00 -0.32 -0.01 0.00 0.52 0.00 0.00 34.95 35.14 3i20 s ARG 64 CO 0.02 0.07 0.16 0.95 0.02 0.00 0.00 175.30 176.52 3i20 s THR 65 N -0.84 0.13 -0.18 0.02 -4.23 -1.25 -1.11 115.64 108.17 3i20 s THR 65 Ca -0.05 -1.43 0.18 0.00 -1.18 0.00 0.00 61.69 59.21 3i20 s THR 65 Cb -0.07 -1.58 0.01 0.00 1.34 0.00 0.00 72.50 72.20 3i20 s THR 65 CO 0.00 -0.60 1.17 0.50 -0.54 0.00 0.00 174.62 175.15 3i20 h LYS 66 N 2.78 0.00 0.10 3.99 1.63 -1.73 -2.28 116.57 121.06 3i20 h LYS 66 Ca -0.34 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.46 3i20 h LYS 66 Cb 1.20 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 3i20 h LYS 66 CO 0.56 0.30 -0.05 0.87 -3.45 0.00 0.00 179.45 177.68 3i20 h LYS 67 N 0.00 -0.12 0.00 1.90 1.79 -1.93 -3.39 116.57 114.82 3i20 h LYS 67 Ca -0.06 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 3i20 h LYS 67 Cb 1.36 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.04 3i20 h LYS 67 CO 0.04 0.32 0.00 0.41 -1.08 0.00 0.00 179.45 179.15 3i20 n GLY 68 N 0.23 0.96 0.00 3.86 0.00 -1.26 -4.71 105.19 104.27 3i20 n GLY 68 Ca -0.08 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.84 3i20 n GLY 68 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i20 n VAL 69 N 0.00 0.00 0.00 1.61 0.31 -1.16 -4.42 118.33 114.67 3i20 n VAL 69 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i20 n VAL 69 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3i20 n VAL 69 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i20 n ARG 70 N -0.28 0.00 0.00 5.55 5.12 -1.26 -2.05 116.66 123.74 3i20 n ARG 70 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3i20 n ARG 70 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3i20 n ARG 70 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3i20 n ARG 71 N -1.22 0.00 -4.29 5.56 5.12 -1.26 -4.58 116.66 115.99 3i20 n ARG 71 Ca 0.00 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.68 3i20 n ARG 71 Cb 0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.23 3i20 n ARG 71 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3i20 n PRO 72 N 0.00 0.61 0.00 5.56 -0.04 -1.26 -4.89 135.00 134.98 3i20 n PRO 72 Ca 0.00 -3.28 0.00 0.00 -0.04 0.00 0.00 63.50 60.18 3i20 n PRO 72 Cb 0.00 1.74 0.00 0.00 -0.04 0.00 0.00 33.50 35.20 3i20 n PRO 72 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3i20 n ASP 73 N -1.54 0.00 0.00 3.54 -0.08 -1.26 -3.52 116.55 113.69 3i20 n ASP 73 Ca -0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.22 3i20 n ASP 73 Cb 0.58 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.04 3i20 n ASP 73 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3i20 n GLY 74 N 0.00 1.14 3.48 0.27 0.00 -1.26 -5.13 105.19 103.68 3i20 n GLY 74 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3i20 n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i20 s SER 75 N -0.75 0.07 -0.17 1.61 0.01 -1.23 -5.04 113.70 108.20 3i20 s SER 75 Ca 0.00 0.71 -0.22 0.00 1.31 0.00 0.00 55.95 57.75 3i20 s SER 75 Cb 0.00 -0.98 0.06 0.00 0.21 0.00 0.00 66.02 65.31 3i20 s SER 75 CO 0.00 -4.65 0.58 -0.69 0.41 0.00 0.00 173.24 168.89 3i20 s VAL 76 N -2.72 0.01 -0.21 3.43 1.01 -1.25 -4.33 120.40 116.33 3i20 s VAL 76 Ca 0.70 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.65 3i20 s VAL 76 Cb -0.11 -0.84 0.04 0.00 0.00 0.00 0.00 36.38 35.48 3i20 s VAL 76 CO 0.57 -0.02 -0.12 -0.63 0.00 0.00 0.00 175.10 174.89 3i20 s ILE 77 N -0.09 1.85 0.07 2.22 1.09 -0.87 -4.96 121.20 120.51 3i20 s ILE 77 Ca -0.03 -1.15 0.00 0.00 -1.10 0.00 0.00 60.65 58.37 3i20 s ILE 77 Cb -0.04 -1.88 -0.04 0.00 -1.06 0.00 0.00 42.46 39.44 3i20 s ILE 77 CO 0.03 0.19 0.21 -0.13 -0.10 0.00 0.00 174.94 175.13 3i20 s ARG 78 N 1.30 3.41 -0.02 2.79 0.52 -1.26 -2.98 118.95 122.70 3i20 s ARG 78 Ca -0.02 -0.47 0.06 0.00 -0.52 0.00 0.00 55.73 54.78 3i20 s ARG 78 Cb -0.17 -3.01 -0.02 0.00 0.52 0.00 0.00 34.95 32.27 3i20 s ARG 78 CO -0.08 0.60 -0.20 -0.06 0.02 0.00 0.00 175.30 175.58 3i20 s PHE 79 N -1.52 2.53 -0.09 -0.53 0.40 -0.86 -5.01 117.98 112.90 3i20 s PHE 79 Ca 0.35 -0.29 0.15 0.00 -0.60 0.00 0.00 56.93 56.54 3i20 s PHE 79 Cb -0.13 -1.55 0.83 0.00 0.51 0.00 0.00 43.02 42.69 3i20 s PHE 79 CO 0.28 0.11 1.40 -0.25 0.70 0.00 0.00 175.22 177.45 3i20 n ASP 80 N 2.22 0.40 -3.56 1.36 9.92 -1.26 -3.91 116.55 121.73 3i20 n ASP 80 Ca -0.17 0.62 -0.04 0.00 -0.53 0.00 0.00 54.79 54.67 3i20 n ASP 80 Cb 0.52 -0.61 -0.00 0.00 -0.64 0.00 0.00 41.12 40.39 3i20 n ASP 80 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3i20 s GLY 81 N -3.25 -0.06 -0.14 0.44 0.00 -1.26 -4.98 107.32 98.07 3i20 s GLY 81 Ca -0.02 -0.11 -0.09 0.00 0.00 0.00 0.00 44.72 44.50 3i20 s GLY 81 CO 0.14 0.75 0.17 -1.31 0.00 0.00 0.00 173.10 172.86 3i20 s ASN 82 N -3.10 6.38 -0.14 1.64 0.01 -1.26 -3.90 114.94 114.56 3i20 s ASN 82 Ca 0.16 0.44 -0.25 0.00 -0.71 0.00 0.00 52.86 52.51 3i20 s ASN 82 Cb -0.02 -2.10 0.06 0.00 0.41 0.00 0.00 41.25 39.60 3i20 s ASN 82 CO 0.04 0.31 0.61 0.00 -1.51 0.00 0.00 177.10 176.55 3i20 s ALA 83 N -0.48 -1.55 0.29 0.60 0.00 -0.27 -0.09 121.76 120.26 3i20 s ALA 83 Ca 0.14 1.44 0.04 0.00 0.00 0.00 0.00 51.96 53.58 3i20 s ALA 83 Cb -0.12 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 3i20 s ALA 83 CO 0.03 -0.32 0.26 0.00 0.00 0.00 0.00 175.76 175.72 3i20 s VAL 85 N -3.62 0.66 0.26 0.00 1.01 -0.44 -1.18 120.40 117.08 3i20 s VAL 85 Ca 0.39 -0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.92 3i20 s VAL 85 Cb 0.03 -0.81 -0.10 0.00 0.00 0.00 0.00 36.38 35.50 3i20 s VAL 85 CO 0.23 0.23 1.51 -0.76 0.00 0.00 0.00 175.10 176.30 3i20 s LEU 86 N 1.85 4.37 0.10 3.92 1.43 -1.26 -1.16 118.68 127.93 3i20 s LEU 86 Ca 0.04 2.76 0.09 0.00 -1.03 0.00 0.00 54.13 55.99 3i20 s LEU 86 Cb -0.13 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 3i20 s LEU 86 CO -0.07 -0.79 -0.22 -0.76 0.23 0.00 0.00 176.35 174.75 3i20 s LEU 87 N -0.27 2.50 0.26 1.79 1.43 0.31 -1.80 118.68 122.91 3i20 s LEU 87 Ca 0.62 -0.61 -0.31 0.00 -1.03 0.00 0.00 54.13 52.80 3i20 s LEU 87 Cb -0.44 -1.40 -0.12 0.00 0.03 0.00 0.00 46.19 44.26 3i20 s LEU 87 CO 0.44 0.20 1.64 0.21 0.23 0.00 0.00 176.35 179.06 3i20 s ASN 88 N -1.93 6.37 0.26 2.29 2.47 -0.76 -3.01 114.94 120.64 3i20 s ASN 88 Ca 0.15 2.92 -0.01 0.00 0.42 0.00 0.00 52.86 56.35 3i20 s ASN 88 Cb -0.10 -2.62 0.52 0.00 -1.45 0.00 0.00 41.25 37.60 3i20 s ASN 88 CO 0.07 -0.94 1.77 -1.13 -3.72 0.00 0.00 177.10 173.15 3i20 h ASN 89 N 5.53 0.55 0.55 -4.21 -0.00 -1.92 -2.56 115.58 113.53 3i20 h ASN 89 Ca -0.46 0.09 -0.06 0.00 -0.00 0.00 0.00 56.30 55.88 3i20 h ASN 89 Cb 1.21 -0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.52 3i20 h ASN 89 CO 0.85 0.24 -1.50 0.59 -0.00 0.00 0.00 177.43 177.61 3i20 n ASN 90 N -4.86 0.52 -0.82 1.15 3.02 -1.26 -4.53 115.26 108.48 3i20 n ASN 90 Ca 0.17 0.21 0.05 0.00 -0.03 0.00 0.00 54.58 54.98 3i20 n ASN 90 Cb 0.42 0.93 0.14 0.00 -0.61 0.00 0.00 39.78 40.66 3i20 n ASN 90 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3i20 n SER 91 N -2.59 1.48 0.00 6.41 7.64 -1.10 -5.08 113.62 120.38 3i20 n SER 91 Ca -0.05 -3.19 0.00 0.00 1.01 0.00 0.00 58.87 56.64 3i20 n SER 91 Cb 0.65 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 3i20 n SER 91 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3i20 n GLU 92 N -0.61 0.00 -2.02 1.43 -0.58 -0.98 -4.85 120.64 113.02 3i20 n GLU 92 Ca 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 3i20 n GLU 92 Cb 0.83 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.70 3i20 n GLU 92 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 3i20 n GLN 93 N 9.26 -4.85 -1.79 3.49 -0.06 -1.26 -2.37 117.38 119.79 3i20 n GLN 93 Ca 0.00 3.41 -0.42 0.00 -2.00 0.00 0.00 57.00 57.99 3i20 n GLN 93 Cb 0.00 -3.78 -0.03 0.00 -4.06 0.00 0.00 30.24 22.37 3i20 n GLN 93 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 3i20 s PRO 94 N -0.48 4.16 0.22 3.69 0.04 -1.26 -1.82 135.00 139.55 3i20 s PRO 94 Ca 0.00 2.52 0.03 0.00 0.04 0.00 0.00 61.00 63.59 3i20 s PRO 94 Cb 0.00 -3.25 0.22 0.00 0.04 0.00 0.00 34.50 31.50 3i20 s PRO 94 CO 0.00 -0.74 1.54 0.97 0.04 0.00 0.00 177.00 178.82 3i20 h ILE 95 N 4.14 1.37 -2.97 0.56 6.09 -1.66 -3.46 117.51 121.58 3i20 h ILE 95 Ca -0.44 -1.94 -0.41 0.00 -1.37 0.00 0.00 64.86 60.71 3i20 h ILE 95 Cb 1.21 1.95 0.22 0.00 0.47 0.00 0.00 36.82 40.66 3i20 h ILE 95 CO 0.94 0.58 -0.16 0.61 -3.07 0.00 0.00 178.15 177.05 3i20 n GLY 96 N 0.27 -2.72 0.00 8.18 0.00 -1.26 -4.91 105.19 104.75 3i20 n GLY 96 Ca -0.03 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.67 3i20 n GLY 96 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i20 n THR 97 N -5.25 0.00 -4.51 2.61 -2.24 -1.26 -5.00 114.28 98.64 3i20 n THR 97 Ca 0.05 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.59 3i20 n THR 97 Cb 0.56 0.05 -0.10 0.00 -2.10 0.00 0.00 70.33 68.73 3i20 n THR 97 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i20 s ARG 98 N -1.33 1.74 0.08 -0.78 1.81 -1.26 -5.03 118.95 114.18 3i20 s ARG 98 Ca 0.00 -1.86 0.06 0.00 -1.72 0.00 0.00 55.73 52.21 3i20 s ARG 98 Cb 0.00 -1.67 -0.03 0.00 -0.45 0.00 0.00 34.95 32.80 3i20 s ARG 98 CO 0.00 0.20 -0.17 0.42 -0.68 0.00 0.00 175.30 175.07 3i20 s ILE 99 N -2.62 1.34 0.19 1.52 1.09 -1.25 -3.12 121.20 118.35 3i20 s ILE 99 Ca 0.31 -1.38 0.09 0.00 -1.10 0.00 0.00 60.65 58.57 3i20 s ILE 99 Cb 0.00 -1.25 -0.04 0.00 -1.06 0.00 0.00 42.46 40.10 3i20 s ILE 99 CO 0.15 -0.15 -0.17 -0.36 -0.10 0.00 0.00 174.94 174.31 3i20 s PHE 100 N -1.20 1.86 0.37 3.97 0.40 0.21 -4.28 117.98 119.30 3i20 s PHE 100 Ca 0.01 -0.48 0.00 0.00 -0.60 0.00 0.00 56.93 55.86 3i20 s PHE 100 Cb -0.10 -0.89 0.00 0.00 0.51 0.00 0.00 43.02 42.54 3i20 s PHE 100 CO 0.03 0.39 0.00 0.41 0.70 0.00 0.00 175.22 176.75 3i20 n GLY 101 N -0.01 -3.09 3.58 4.36 0.00 -1.26 -4.75 105.19 104.01 3i20 n GLY 101 Ca -0.11 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.41 3i20 n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i20 s PRO 102 N -3.79 -1.05 0.05 1.61 0.04 -1.26 -4.26 135.00 126.35 3i20 s PRO 102 Ca 0.00 0.11 -0.00 0.00 0.04 0.00 0.00 61.00 61.15 3i20 s PRO 102 Cb 0.00 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.94 3i20 s PRO 102 CO 0.00 -3.63 0.08 1.33 0.04 0.00 0.00 177.00 174.81 3i20 n VAL 103 N -4.74 0.00 -4.88 -0.36 0.24 -1.20 -4.92 118.33 102.48 3i20 n VAL 103 Ca 0.11 -0.26 -0.28 0.00 -2.04 0.00 0.00 64.34 61.86 3i20 n VAL 103 Cb 0.59 0.17 -0.15 0.00 -1.47 0.00 0.00 33.84 32.98 3i20 n VAL 103 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3i20 s THR 104 N -2.51 1.88 0.63 3.34 -4.23 -1.26 -4.47 115.64 109.01 3i20 s THR 104 Ca 0.04 -1.21 0.31 0.00 -1.18 0.00 0.00 61.69 59.65 3i20 s THR 104 Cb -0.00 -1.60 0.35 0.00 1.34 0.00 0.00 72.50 72.59 3i20 s THR 104 CO 0.03 0.35 2.01 0.08 -0.54 0.00 0.00 174.62 176.55 3i20 h ARG 105 N 5.03 0.00 0.00 3.99 -0.00 -1.96 -1.74 114.38 119.69 3i20 h ARG 105 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.55 3i20 h ARG 105 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.12 3i20 h ARG 105 CO 0.45 0.00 0.00 0.39 -0.00 0.00 0.00 179.97 180.81 3i20 n GLU 106 N -3.35 0.09 0.00 0.08 4.71 -1.26 -0.73 120.64 120.18 3i20 n GLU 106 Ca 0.01 0.51 0.14 0.00 -0.01 0.00 0.00 57.16 57.82 3i20 n GLU 106 Cb 0.40 -1.76 0.62 0.00 -1.01 0.00 0.00 31.44 29.70 3i20 n GLU 106 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 3i20 n LEU 107 N -1.94 0.53 -0.50 -4.62 7.94 -0.66 -4.06 117.00 113.69 3i20 n LEU 107 Ca 0.00 -0.04 0.00 0.00 -1.11 0.00 0.00 56.01 54.87 3i20 n LEU 107 Cb 0.07 -0.16 0.00 0.00 0.53 0.00 0.00 43.42 43.87 3i20 n LEU 107 CO 0.09 0.10 0.00 -1.14 -1.11 0.00 0.00 177.39 175.33 3i20 n ARG 108 N -0.87 0.00 -1.44 1.96 3.00 0.09 -4.56 116.66 114.85 3i20 n ARG 108 Ca 0.15 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.68 3i20 n ARG 108 Cb 0.27 -0.99 0.08 0.00 0.00 0.00 0.00 32.46 31.83 3i20 n ARG 108 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 3i20 s SER 109 N -0.98 4.53 0.10 6.15 0.01 -1.26 -4.95 113.70 117.30 3i20 s SER 109 Ca 0.00 2.03 -0.26 0.00 1.31 0.00 0.00 55.95 59.03 3i20 s SER 109 Cb 0.00 -2.55 -0.11 0.00 0.21 0.00 0.00 66.02 63.57 3i20 s SER 109 CO 0.00 -2.02 1.68 -0.33 0.41 0.00 0.00 173.24 172.97 3i20 h GLU 110 N -0.58 -0.32 0.00 12.44 4.39 -1.99 -2.39 114.58 126.13 3i20 h GLU 110 Ca -0.46 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.27 3i20 h GLU 110 Cb 1.25 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 3i20 h GLU 110 CO 0.51 -0.21 0.00 0.36 -1.16 0.00 0.00 179.01 178.51 3i20 n LYS 111 N -5.28 0.43 -0.24 2.33 0.00 -1.26 -2.41 118.16 111.74 3i20 n LYS 111 Ca -0.07 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.27 3i20 n LYS 111 Cb 0.20 -1.02 0.05 0.00 -0.00 0.00 0.00 35.03 34.26 3i20 n LYS 111 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3i20 n PHE 112 N -0.52 0.00 -0.12 5.58 0.99 -0.90 -4.61 117.46 117.88 3i20 n PHE 112 Ca 0.00 -0.39 -0.11 0.00 -0.00 0.00 0.00 57.45 56.95 3i20 n PHE 112 Cb 0.00 -0.08 -0.03 0.00 -1.00 0.00 0.00 39.48 38.38 3i20 n PHE 112 CO 0.00 0.00 0.00 1.98 -0.00 0.00 0.00 176.76 178.74 3i20 h MET 113 N 0.00 0.63 -0.94 -1.08 4.05 -1.47 -0.59 114.93 115.52 3i20 h MET 113 Ca 0.00 -0.23 0.25 0.00 -0.28 0.00 0.00 59.70 59.45 3i20 h MET 113 Cb 1.12 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 31.82 3i20 h MET 113 CO 0.00 0.78 0.65 -0.22 0.23 0.00 0.00 176.91 178.35 3i20 h LYS 114 N 0.42 0.17 0.00 0.39 1.63 -1.87 -1.38 116.57 115.94 3i20 h LYS 114 Ca 0.09 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 3i20 h LYS 114 Cb 0.53 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 3i20 h LYS 114 CO 0.03 0.11 0.00 1.51 -3.45 0.00 0.00 179.45 177.65 3i20 n ILE 115 N -4.38 0.60 -0.07 2.00 3.06 -0.23 -2.71 119.36 117.62 3i20 n ILE 115 Ca 0.20 0.11 -0.09 0.00 -2.50 0.00 0.00 62.75 60.47 3i20 n ILE 115 Cb 0.90 -0.81 -0.09 0.00 0.54 0.00 0.00 39.64 40.18 3i20 n ILE 115 CO 0.00 0.00 0.00 2.30 -2.50 0.00 0.00 176.55 176.35 3i20 n ILE 116 N -1.67 0.91 -0.21 9.51 -6.64 -0.55 -4.49 119.36 116.21 3i20 n ILE 116 Ca 0.05 -0.43 -0.01 0.00 -1.77 0.00 0.00 62.75 60.59 3i20 n ILE 116 Cb 0.26 -0.92 0.10 0.00 -1.44 0.00 0.00 39.64 37.64 3i20 n ILE 116 CO 0.00 0.00 0.00 0.28 -1.77 0.00 0.00 176.55 175.06 3i20 h SER 117 N 0.00 0.43 0.00 7.28 0.02 -1.38 -3.36 113.55 116.54 3i20 h SER 117 Ca -0.36 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 3i20 h SER 117 Cb 1.65 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 64.16 3i20 h SER 117 CO -0.03 0.27 0.00 0.18 -1.14 0.00 0.00 176.83 176.11 3i20 n LEU 118 N -4.86 0.00 -1.75 5.07 4.32 -1.10 -4.94 117.00 113.73 3i20 n LEU 118 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 3i20 n LEU 118 Cb 0.21 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.01 3i20 n LEU 118 CO 0.27 0.00 -0.30 0.00 -1.22 0.00 0.00 177.39 176.14 3i20 n ALA 119 N -3.00 -1.60 -0.21 -1.18 0.00 -1.26 -4.82 120.51 108.44 3i20 n ALA 119 Ca 0.00 0.30 -0.08 0.00 0.00 0.00 0.00 53.44 53.66 3i20 n ALA 119 Cb 0.00 -1.10 0.03 0.00 0.00 0.00 0.00 19.45 18.38 3i20 n ALA 119 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3i20 h PRO 120 N 2.63 0.91 -4.92 0.00 0.13 -1.82 -3.48 132.00 125.46 3i20 h PRO 120 Ca 0.00 -0.19 -0.31 0.00 -0.87 0.00 0.00 66.00 64.63 3i20 h PRO 120 Cb 0.00 -0.14 -0.15 0.00 0.13 0.00 0.00 31.00 30.85 3i20 h PRO 120 CO 0.00 0.80 -0.68 -2.00 -0.23 0.00 0.00 178.00 175.90 3i20 s GLU 121 N -5.45 1.14 0.00 0.86 2.12 -1.26 -5.03 118.70 111.07 3i20 s GLU 121 Ca -0.13 -1.54 0.00 0.00 0.36 0.00 0.00 54.97 53.67 3i20 s GLU 121 Cb 0.13 -0.43 0.00 0.00 0.26 0.00 0.00 34.13 34.09 3i20 s GLU 121 CO 0.80 -0.07 0.00 0.28 -0.54 0.00 0.00 175.26 175.73