#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i22 n ILE 2 N 0.00 0.00 -0.05 3.17 -0.00 -0.65 -4.72 119.36 117.12 3i22 n ILE 2 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 62.75 62.76 3i22 n ILE 2 Cb 0.00 -0.10 -0.00 0.00 -0.00 0.00 0.00 39.64 39.54 3i22 n ILE 2 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3i22 n GLN 3 N -0.29 -0.10 -1.59 0.38 10.64 -1.25 -4.76 117.38 120.40 3i22 n GLN 3 Ca 0.00 0.08 -0.41 0.00 -1.83 0.00 0.00 57.00 54.84 3i22 n GLN 3 Cb 0.00 -0.12 0.01 0.00 -0.86 0.00 0.00 30.24 29.27 3i22 n GLN 3 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 3i22 n GLU 4 N -2.37 1.20 0.00 2.61 1.02 -1.26 -4.28 120.64 117.56 3i22 n GLU 4 Ca -0.00 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 3i22 n GLU 4 Cb 0.02 -1.97 0.00 0.00 -0.02 0.00 0.00 31.44 29.47 3i22 n GLU 4 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3i22 n GLN 5 N 0.12 0.00 -1.97 3.49 1.13 -0.46 -4.98 117.38 114.72 3i22 n GLN 5 Ca 0.10 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 3i22 n GLN 5 Cb 0.40 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.75 3i22 n GLN 5 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3i22 n THR 6 N 0.00-10.75 -2.77 5.09 -1.04 -1.26 -1.66 114.28 101.89 3i22 n THR 6 Ca 0.00 2.45 -0.43 0.00 -2.04 0.00 0.00 64.05 64.04 3i22 n THR 6 Cb 0.00 -5.26 -0.03 0.00 -1.82 0.00 0.00 70.33 63.22 3i22 n THR 6 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 3i22 s MET 7 N -1.00 3.98 0.05 -2.82 1.75 -1.26 -3.58 119.30 116.42 3i22 s MET 7 Ca 0.00 0.81 0.04 0.00 -1.25 0.00 0.00 55.69 55.29 3i22 s MET 7 Cb 0.00 -3.75 -0.04 0.00 2.84 0.00 0.00 34.83 33.88 3i22 s MET 7 CO 0.00 -0.85 -0.03 -0.51 -0.65 0.00 0.00 175.02 172.98 3i22 s LEU 8 N 3.42 3.35 0.38 4.11 1.02 -0.94 -4.83 118.68 125.18 3i22 s LEU 8 Ca 0.40 -0.17 -0.04 0.00 0.02 0.00 0.00 54.13 54.35 3i22 s LEU 8 Cb -0.13 -2.02 -0.04 0.00 0.02 0.00 0.00 46.19 44.02 3i22 s LEU 8 CO 0.15 0.22 0.64 0.20 0.02 0.00 0.00 176.35 177.59 3i22 s ASN 9 N -1.94 6.35 -0.23 2.29 0.02 0.75 -2.04 114.94 120.13 3i22 s ASN 9 Ca 0.22 0.73 -0.15 0.00 -1.02 0.00 0.00 52.86 52.65 3i22 s ASN 9 Cb -0.11 -2.16 -0.04 0.00 0.02 0.00 0.00 41.25 38.96 3i22 s ASN 9 CO 0.14 -0.36 0.34 -0.69 0.02 0.00 0.00 177.10 176.55 3i22 s VAL 10 N -2.39 5.22 -2.19 1.60 1.01 -1.26 -0.95 120.40 121.44 3i22 s VAL 10 Ca 0.44 0.56 0.18 0.00 0.00 0.00 0.00 61.98 63.16 3i22 s VAL 10 Cb -0.10 -3.68 0.41 0.00 0.00 0.00 0.00 36.38 33.02 3i22 s VAL 10 CO 0.37 0.23 1.44 0.00 0.00 0.00 0.00 175.10 177.14 3i22 n ALA 11 N 4.76 2.48 -2.66 5.51 0.00 0.21 -4.85 120.51 125.96 3i22 n ALA 11 Ca -0.10 -0.61 -0.30 0.00 0.00 0.00 0.00 53.44 52.43 3i22 n ALA 11 Cb 0.51 -1.03 -0.08 0.00 0.00 0.00 0.00 19.45 18.85 3i22 n ALA 11 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3i22 s ASP 12 N -1.35 3.58 0.29 0.00 -4.77 -1.26 -1.55 116.67 111.62 3i22 s ASP 12 Ca 0.30 -1.65 -0.13 0.00 -3.30 0.00 0.00 52.55 47.78 3i22 s ASP 12 Cb 0.16 0.46 -0.08 0.00 -1.09 0.00 0.00 42.92 42.38 3i22 s ASP 12 CO 0.23 -0.86 0.67 0.54 0.70 0.00 0.00 175.17 176.45 3i22 s ASN 13 N -3.76 6.70 -0.08 2.11 6.03 -1.20 -4.78 114.94 119.95 3i22 s ASN 13 Ca 0.14 1.13 -0.06 0.00 -1.03 0.00 0.00 52.86 53.04 3i22 s ASN 13 Cb 0.02 -2.31 0.02 0.00 -3.03 0.00 0.00 41.25 35.96 3i22 s ASN 13 CO 0.08 -0.17 0.12 -0.24 -2.03 0.00 0.00 177.10 174.86 3i22 n SER 14 N -0.36 -4.78 0.00 3.54 2.88 -1.26 -4.48 113.62 109.16 3i22 n SER 14 Ca 0.02 1.53 0.00 0.00 -1.33 0.00 0.00 58.87 59.10 3i22 n SER 14 Cb 0.53 -5.05 0.00 0.00 -0.75 0.00 0.00 64.21 58.94 3i22 n SER 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i22 n GLY 15 N 1.69 -0.26 7.00 0.46 0.00 -1.26 -4.71 105.19 108.11 3i22 n GLY 15 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3i22 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i22 n ALA 16 N 0.00 0.00 -1.00 4.61 0.00 -1.26 -3.29 120.51 119.57 3i22 n ALA 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i22 n ALA 16 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i22 n ALA 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i22 n ARG 17 N -0.53 3.12 0.00 0.00 0.63 -1.26 -4.10 116.66 114.52 3i22 n ARG 17 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3i22 n ARG 17 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3i22 n ARG 17 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3i22 n ARG 18 N 0.00 0.00 -3.61 -0.14 1.74 -1.24 -4.19 116.66 109.22 3i22 n ARG 18 Ca 0.00 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.91 3i22 n ARG 18 Cb 0.00 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.29 3i22 n ARG 18 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3i22 s VAL 19 N 0.00 -0.29 -0.16 1.55 1.01 -0.87 -1.78 120.40 119.87 3i22 s VAL 19 Ca 0.00 0.18 -0.07 0.00 0.00 0.00 0.00 61.98 62.09 3i22 s VAL 19 Cb 0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 3i22 s VAL 19 CO 0.00 0.02 0.07 -0.32 0.00 0.00 0.00 175.10 174.86 3i22 s MET 20 N 2.31 3.75 0.45 2.72 0.00 -0.83 -2.21 119.30 125.50 3i22 s MET 20 Ca 0.04 -0.31 -0.24 0.00 0.00 0.00 0.00 55.69 55.17 3i22 s MET 20 Cb -0.13 -3.15 -0.07 0.00 0.00 0.00 0.00 34.83 31.47 3i22 s MET 20 CO -0.08 0.42 1.26 0.00 0.00 0.00 0.00 175.02 176.62 3i22 n ILE 22 N -0.34 0.00 -3.55 0.00 -5.35 -0.05 -1.35 119.36 108.71 3i22 n ILE 22 Ca 0.06 -0.18 -0.01 0.00 -0.27 0.00 0.00 62.75 62.35 3i22 n ILE 22 Cb 0.46 0.89 -0.05 0.00 -1.74 0.00 0.00 39.64 39.20 3i22 n ILE 22 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 3i22 s LYS 23 N -0.47 0.43 -1.23 6.28 2.47 -1.19 -4.92 119.74 121.11 3i22 s LYS 23 Ca 0.00 0.92 -0.13 0.00 -1.56 0.00 0.00 55.97 55.20 3i22 s LYS 23 Cb 0.00 0.38 0.17 0.00 -1.46 0.00 0.00 37.83 36.92 3i22 s LYS 23 CO 0.00 -0.12 1.57 0.28 0.16 0.00 0.00 175.35 177.24 3i22 n VAL 24 N 4.62 4.26 -1.08 4.02 0.31 -1.26 -1.82 118.33 127.38 3i22 n VAL 24 Ca -0.14 -4.61 -0.30 0.00 -0.01 0.00 0.00 64.34 59.28 3i22 n VAL 24 Cb 0.54 -2.44 0.14 0.00 -0.91 0.00 0.00 33.84 31.17 3i22 n VAL 24 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 3i22 s LEU 25 N 1.24 2.51 0.00 7.52 2.34 -1.25 -4.21 118.68 126.83 3i22 s LEU 25 Ca 0.42 1.73 0.00 0.00 0.06 0.00 0.00 54.13 56.35 3i22 s LEU 25 Cb 0.01 -4.20 0.00 0.00 -0.56 0.00 0.00 46.19 41.44 3i22 s LEU 25 CO 0.01 -2.65 0.00 0.61 -1.06 0.00 0.00 176.35 173.26 3i22 n GLY 26 N -0.76 1.93 3.26 -3.48 0.00 -1.26 -4.69 105.19 100.19 3i22 n GLY 26 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 3i22 n GLY 26 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i22 s GLY 27 N -2.18 -0.20 -0.83 -0.02 0.00 -1.26 -5.10 107.32 97.74 3i22 s GLY 27 Ca 0.00 0.49 -0.25 0.00 0.00 0.00 0.00 44.72 44.97 3i22 s GLY 27 CO 0.00 0.29 1.28 -0.56 0.00 0.00 0.00 173.10 174.11 3i22 s SER 28 N -1.08 6.29 -0.01 1.64 0.01 -1.26 -3.71 113.70 115.58 3i22 s SER 28 Ca -0.11 -0.92 -0.00 0.00 1.31 0.00 0.00 55.95 56.23 3i22 s SER 28 Cb -0.04 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.65 3i22 s SER 28 CO 0.04 -1.64 0.01 1.57 0.41 0.00 0.00 173.24 173.63 3i22 n HIS 29 N 8.84 -0.02 -0.25 2.43 -0.00 -1.26 -5.07 115.22 119.89 3i22 n HIS 29 Ca 0.12 0.01 0.00 0.00 0.46 0.00 0.00 57.72 58.31 3i22 n HIS 29 Cb 0.49 -1.34 0.00 0.00 -0.12 0.00 0.00 29.99 29.02 3i22 n HIS 29 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 3i22 n ARG 30 N -0.68 -0.06 0.00 1.57 1.74 -1.24 -5.07 116.66 112.91 3i22 n ARG 30 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i22 n ARG 30 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 3i22 n ARG 30 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i22 n ARG 31 N -0.79 0.00 -4.32 5.56 5.12 -1.26 -5.07 116.66 115.90 3i22 n ARG 31 Ca 0.00 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.69 3i22 n ARG 31 Cb 0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.22 3i22 n ARG 31 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3i22 s TYR 32 N -0.71 2.64 0.34 -1.55 2.02 -1.26 -3.96 117.35 114.86 3i22 s TYR 32 Ca 0.00 -0.24 0.08 0.00 -0.37 0.00 0.00 57.07 56.55 3i22 s TYR 32 Cb 0.00 -1.17 -0.04 0.00 -0.40 0.00 0.00 41.96 40.35 3i22 s TYR 32 CO 0.00 0.63 0.15 0.00 -1.57 0.00 0.00 175.55 174.76 3i22 s ALA 33 N -2.31 3.52 -0.30 3.71 0.00 -1.26 -4.78 121.76 120.35 3i22 s ALA 33 Ca 0.31 -1.80 -0.15 0.00 0.00 0.00 0.00 51.96 50.32 3i22 s ALA 33 Cb -0.06 -0.78 0.16 0.00 0.00 0.00 0.00 23.12 22.43 3i22 s ALA 33 CO 0.19 0.04 0.97 0.20 0.00 0.00 0.00 175.76 177.16 3i22 s GLY 34 N -3.85 -0.16 0.00 0.00 0.00 -1.26 -1.63 107.32 100.41 3i22 s GLY 34 Ca 0.38 3.04 0.00 0.00 0.00 0.00 0.00 44.72 48.14 3i22 s GLY 34 CO 0.23 3.06 0.00 3.33 0.00 0.00 0.00 173.10 179.71 3i22 n VAL 35 N 4.65 0.00 0.12 1.40 0.24 -1.26 -1.23 118.33 122.25 3i22 n VAL 35 Ca -0.12 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.25 3i22 n VAL 35 Cb 0.54 0.00 0.35 0.00 -1.47 0.00 0.00 33.84 33.25 3i22 n VAL 35 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i22 n GLY 36 N 0.00 -0.75 3.79 7.63 0.00 -1.26 -2.96 105.19 111.64 3i22 n GLY 36 Ca 0.00 0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 3i22 n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i22 s ASP 37 N -3.60 6.32 -0.01 1.61 1.01 -0.37 -4.86 116.67 116.77 3i22 s ASP 37 Ca -0.01 2.02 -0.03 0.00 0.71 0.00 0.00 52.55 55.24 3i22 s ASP 37 Cb 0.04 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 3i22 s ASP 37 CO 0.13 -0.80 0.17 -0.63 0.21 0.00 0.00 175.17 174.25 3i22 s ILE 38 N -1.85 5.34 -0.04 0.77 1.01 -1.26 -2.16 121.20 123.01 3i22 s ILE 38 Ca 0.66 -0.18 0.01 0.00 0.00 0.00 0.00 60.65 61.14 3i22 s ILE 38 Cb -0.20 -3.48 0.02 0.00 0.01 0.00 0.00 42.46 38.82 3i22 s ILE 38 CO 0.24 0.34 -0.04 -0.63 0.00 0.00 0.00 174.94 174.85 3i22 s ILE 39 N -1.29 0.50 0.14 2.92 -1.09 0.14 -3.82 121.20 118.70 3i22 s ILE 39 Ca 0.26 -0.10 -0.30 0.00 -2.23 0.00 0.00 60.65 58.28 3i22 s ILE 39 Cb -0.12 -0.53 -0.07 0.00 -1.58 0.00 0.00 42.46 40.15 3i22 s ILE 39 CO 0.17 0.22 1.16 -0.75 -1.23 0.00 0.00 174.94 174.51 3i22 s LYS 40 N 0.94 4.51 0.13 2.79 2.47 -0.76 -0.43 119.74 129.40 3i22 s LYS 40 Ca -0.11 1.78 0.04 0.00 -1.56 0.00 0.00 55.97 56.12 3i22 s LYS 40 Cb -0.14 -3.29 -0.04 0.00 -1.46 0.00 0.00 37.83 32.90 3i22 s LYS 40 CO -0.00 -0.08 -0.09 -1.50 0.16 0.00 0.00 175.35 173.83 3i22 s ILE 41 N 0.22 1.03 -0.23 5.43 1.10 -1.15 -0.88 121.20 126.72 3i22 s ILE 41 Ca 0.53 -1.94 0.00 0.00 -0.51 0.00 0.00 60.65 58.73 3i22 s ILE 41 Cb -0.30 -1.71 0.06 0.00 0.15 0.00 0.00 42.46 40.66 3i22 s ILE 41 CO 0.34 -0.73 -0.04 -0.89 -2.11 0.00 0.00 174.94 171.51 3i22 s THR 42 N -3.18 1.42 -0.09 4.00 2.01 -0.43 -3.13 115.64 116.24 3i22 s THR 42 Ca 0.13 -1.16 -0.29 0.00 0.31 0.00 0.00 61.69 60.68 3i22 s THR 42 Cb 0.02 -1.72 -0.06 0.00 0.01 0.00 0.00 72.50 70.75 3i22 s THR 42 CO -0.01 -0.12 1.89 -0.63 -0.69 0.00 0.00 174.62 175.06 3i22 s ILE 43 N 1.44 3.27 0.00 1.82 -1.09 -0.75 -1.97 121.20 123.92 3i22 s ILE 43 Ca -0.05 0.31 0.00 0.00 -2.23 0.00 0.00 60.65 58.68 3i22 s ILE 43 Cb -0.19 -3.25 0.00 0.00 -1.58 0.00 0.00 42.46 37.45 3i22 s ILE 43 CO -0.06 -0.08 0.97 0.29 -1.23 0.00 0.00 174.94 174.83 3i22 n LYS 44 N 7.75 2.80 0.00 2.79 5.02 -0.73 -0.51 118.16 135.28 3i22 n LYS 44 Ca 0.21 -1.44 0.00 0.00 -2.02 0.00 0.00 58.31 55.06 3i22 n LYS 44 Cb 0.43 -0.98 0.00 0.00 -0.02 0.00 0.00 35.03 34.46 3i22 n LYS 44 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3i22 n GLU 45 N -0.47 0.00 -1.58 1.97 4.07 -0.94 -4.88 120.64 118.81 3i22 n GLU 45 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3i22 n GLU 45 Cb 0.26 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.64 3i22 n GLU 45 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3i22 n ALA 46 N -1.42 -2.18 -2.71 4.31 0.00 -1.21 -4.61 120.51 112.69 3i22 n ALA 46 Ca 0.00 0.41 -0.37 0.00 0.00 0.00 0.00 53.44 53.48 3i22 n ALA 46 Cb 0.00 -1.31 -0.07 0.00 0.00 0.00 0.00 19.45 18.07 3i22 n ALA 46 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3i22 s ILE 47 N -1.88 5.28 0.06 0.00 1.01 -1.26 -4.82 121.20 119.60 3i22 s ILE 47 Ca 0.00 0.57 -0.08 0.00 0.00 0.00 0.00 60.65 61.14 3i22 s ILE 47 Cb 0.00 -3.62 0.03 0.00 0.01 0.00 0.00 42.46 38.87 3i22 s ILE 47 CO 0.00 0.44 0.49 -0.81 0.00 0.00 0.00 174.94 175.06 3i22 n PRO 48 N 3.17 -0.11 0.00 2.79 -0.04 -1.26 -3.38 135.00 136.17 3i22 n PRO 48 Ca -0.13 0.49 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 3i22 n PRO 48 Cb 0.52 -0.72 0.00 0.00 -0.04 0.00 0.00 33.50 33.26 3i22 n PRO 48 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 3i22 n ARG 49 N -4.43 0.00 -0.60 0.54 1.85 -1.26 -5.02 116.66 107.74 3i22 n ARG 49 Ca 0.02 0.00 0.08 0.00 -1.00 0.00 0.00 57.85 56.95 3i22 n ARG 49 Cb 0.11 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.50 3i22 n ARG 49 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3i22 n GLY 50 N 2.67 -1.42 0.35 2.89 0.00 -1.22 -4.80 105.19 103.66 3i22 n GLY 50 Ca 0.00 -1.10 -0.15 0.00 0.00 0.00 0.00 46.02 44.77 3i22 n GLY 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i22 n LYS 51 N -2.80 0.36 -4.04 1.61 4.81 -1.26 -5.00 118.16 111.83 3i22 n LYS 51 Ca 0.00 0.13 -0.31 0.00 -0.87 0.00 0.00 58.31 57.26 3i22 n LYS 51 Cb 0.27 -1.16 -0.06 0.00 0.02 0.00 0.00 35.03 34.10 3i22 n LYS 51 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 3i22 s VAL 52 N -2.30 4.69 0.20 3.15 -7.23 -1.26 -5.11 120.40 112.54 3i22 s VAL 52 Ca -0.22 -0.64 0.10 0.00 -1.81 0.00 0.00 61.98 59.42 3i22 s VAL 52 Cb 0.08 -3.24 -0.04 0.00 0.56 0.00 0.00 36.38 33.73 3i22 s VAL 52 CO 0.31 0.18 -0.16 -1.59 -0.31 0.00 0.00 175.10 173.53 3i22 s LYS 53 N -2.26 1.82 -0.07 4.82 -2.85 -1.26 -4.60 119.74 115.34 3i22 s LYS 53 Ca 0.29 -1.42 -0.34 0.00 -1.00 0.00 0.00 55.97 53.50 3i22 s LYS 53 Cb -0.12 -2.00 -0.12 0.00 -2.06 0.00 0.00 37.83 33.53 3i22 s LYS 53 CO 0.21 0.41 1.88 0.36 0.10 0.00 0.00 175.35 178.31 3i22 n LYS 54 N 0.03 2.25 0.00 1.78 0.00 -1.26 -2.45 118.16 118.51 3i22 n LYS 54 Ca -0.11 0.82 0.00 0.00 -0.00 0.00 0.00 58.31 59.03 3i22 n LYS 54 Cb 0.56 -2.68 0.00 0.00 -0.00 0.00 0.00 35.03 32.91 3i22 n LYS 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i22 n GLY 55 N 4.40 1.27 3.75 2.58 0.00 0.33 -4.98 105.19 112.55 3i22 n GLY 55 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 3i22 n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i22 s ASP 56 N -1.01 5.48 -0.55 1.61 1.01 -1.03 -4.75 116.67 117.42 3i22 s ASP 56 Ca 0.00 2.78 0.06 0.00 0.71 0.00 0.00 52.55 56.11 3i22 s ASP 56 Cb 0.00 -2.64 0.24 0.00 1.01 0.00 0.00 42.92 41.53 3i22 s ASP 56 CO 0.00 -1.43 0.63 0.55 0.21 0.00 0.00 175.17 175.13 3i22 n VAL 57 N -0.78 1.11 -4.17 -1.27 3.14 -1.26 -1.82 118.33 113.29 3i22 n VAL 57 Ca 0.09 -4.70 -0.28 0.00 -2.96 0.00 0.00 64.34 56.49 3i22 n VAL 57 Cb 0.44 -2.04 -0.08 0.00 -1.06 0.00 0.00 33.84 31.11 3i22 n VAL 57 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3i22 s LEU 58 N -1.84 3.40 0.84 6.55 1.43 -1.18 -4.71 118.68 123.17 3i22 s LEU 58 Ca 0.37 -0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 53.05 3i22 s LEU 58 Cb 0.13 -2.08 0.09 0.00 0.03 0.00 0.00 46.19 44.36 3i22 s LEU 58 CO -0.07 0.12 1.11 -1.59 0.23 0.00 0.00 176.35 176.14 3i22 s LYS 59 N -2.74 1.77 0.18 1.70 -2.85 -1.26 -2.95 119.74 113.59 3i22 s LYS 59 Ca 0.27 0.57 -0.16 0.00 -1.00 0.00 0.00 55.97 55.66 3i22 s LYS 59 Cb -0.10 -1.89 0.02 0.00 -2.06 0.00 0.00 37.83 33.80 3i22 s LYS 59 CO 0.19 -1.82 0.46 0.00 0.10 0.00 0.00 175.35 174.28 3i22 s ALA 60 N -3.16 -0.78 -0.11 0.59 0.00 0.43 -3.21 121.76 115.53 3i22 s ALA 60 Ca 0.62 -0.31 -0.00 0.00 0.00 0.00 0.00 51.96 52.26 3i22 s ALA 60 Cb -0.15 0.83 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 3i22 s ALA 60 CO 0.54 -0.75 -0.08 0.14 0.00 0.00 0.00 175.76 175.60 3i22 s VAL 61 N -3.88 3.51 0.70 0.00 -7.23 0.09 0.28 120.40 113.87 3i22 s VAL 61 Ca 0.10 -0.52 -0.16 0.00 -1.81 0.00 0.00 61.98 59.58 3i22 s VAL 61 Cb 0.00 -2.47 0.02 0.00 0.56 0.00 0.00 36.38 34.49 3i22 s VAL 61 CO -0.04 0.55 1.24 -0.69 -0.31 0.00 0.00 175.10 175.85 3i22 s VAL 62 N -0.13 2.20 0.00 1.32 1.01 -0.92 -0.33 120.40 123.55 3i22 s VAL 62 Ca 0.01 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.10 3i22 s VAL 62 Cb -0.13 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.42 3i22 s VAL 62 CO 0.03 -0.04 0.00 0.52 0.00 0.00 0.00 175.10 175.61 3i22 n VAL 63 N -2.40 0.00 -4.07 2.92 0.31 -1.00 -4.38 118.33 109.71 3i22 n VAL 63 Ca 0.14 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.29 3i22 n VAL 63 Cb 0.49 -0.61 -0.16 0.00 -0.91 0.00 0.00 33.84 32.65 3i22 n VAL 63 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3i22 s ARG 64 N -1.75 0.57 0.18 5.55 0.52 -1.22 -4.74 118.95 118.05 3i22 s ARG 64 Ca 0.00 -0.04 0.08 0.00 -0.52 0.00 0.00 55.73 55.25 3i22 s ARG 64 Cb 0.00 -0.64 -0.04 0.00 0.52 0.00 0.00 34.95 34.79 3i22 s ARG 64 CO 0.00 -0.08 -0.16 0.95 0.02 0.00 0.00 175.30 176.03 3i22 s THR 65 N 0.84 1.74 -2.06 0.02 -4.23 -1.25 -0.60 115.64 110.11 3i22 s THR 65 Ca -0.10 -2.06 0.28 0.00 -1.18 0.00 0.00 61.69 58.63 3i22 s THR 65 Cb -0.13 -1.92 0.76 0.00 1.34 0.00 0.00 72.50 72.55 3i22 s THR 65 CO -0.01 -0.47 2.02 1.17 -0.54 0.00 0.00 174.62 176.80 3i22 n LYS 66 N -0.04 1.09 -0.00 3.99 4.81 -1.25 -2.48 118.16 124.28 3i22 n LYS 66 Ca -0.11 -0.14 0.03 0.00 -0.87 0.00 0.00 58.31 57.23 3i22 n LYS 66 Cb 0.59 -1.44 -0.05 0.00 0.02 0.00 0.00 35.03 34.14 3i22 n LYS 66 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3i22 n LYS 67 N -0.78 0.75 0.00 1.64 4.81 -1.26 -4.81 118.16 118.51 3i22 n LYS 67 Ca 0.21 -0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 3i22 n LYS 67 Cb 0.13 -1.13 0.00 0.00 0.02 0.00 0.00 35.03 34.06 3i22 n LYS 67 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i22 n GLY 68 N 1.99 0.71 3.32 3.14 0.00 -1.03 -4.77 105.19 108.55 3i22 n GLY 68 Ca -0.01 -0.76 -0.17 0.00 0.00 0.00 0.00 46.02 45.08 3i22 n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i22 s VAL 69 N 0.00 1.36 -0.23 1.61 1.01 -0.94 -4.92 120.40 118.30 3i22 s VAL 69 Ca 0.00 -2.11 -0.09 0.00 0.00 0.00 0.00 61.98 59.79 3i22 s VAL 69 Cb 0.00 -2.12 0.10 0.00 0.00 0.00 0.00 36.38 34.36 3i22 s VAL 69 CO 0.00 -0.53 0.50 0.00 0.00 0.00 0.00 175.10 175.07 3i22 s ARG 70 N -3.75 0.43 0.00 2.72 1.70 -1.26 -1.66 118.95 117.13 3i22 s ARG 70 Ca 0.23 1.15 0.00 0.00 -0.47 0.00 0.00 55.73 56.64 3i22 s ARG 70 Cb 0.03 0.45 0.00 0.00 -0.57 0.00 0.00 34.95 34.85 3i22 s ARG 70 CO 0.06 -0.22 0.00 -2.13 -1.08 0.00 0.00 175.30 171.93 3i22 n ARG 71 N 5.24 0.00 0.00 3.89 3.00 -1.25 -4.88 116.66 122.65 3i22 n ARG 71 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.73 3i22 n ARG 71 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.96 3i22 n ARG 71 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 3i22 n PRO 72 N -0.08 0.00 0.23 -0.14 -0.02 -1.26 -4.30 135.00 129.42 3i22 n PRO 72 Ca 0.00 0.13 0.16 0.00 -2.02 0.00 0.00 63.50 61.76 3i22 n PRO 72 Cb 0.00 -0.58 0.71 0.00 -0.02 0.00 0.00 33.50 33.61 3i22 n PRO 72 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 3i22 h ASP 73 N 0.00 0.00 0.00 2.55 2.03 -2.05 -3.45 116.42 115.49 3i22 h ASP 73 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3i22 h ASP 73 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3i22 h ASP 73 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 3i22 n GLY 74 N -0.36 0.75 3.72 7.15 0.00 -1.26 -5.06 105.19 110.13 3i22 n GLY 74 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3i22 n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i22 s SER 75 N -2.44 6.49 -0.03 1.61 1.04 -1.26 -4.85 113.70 114.25 3i22 s SER 75 Ca 0.00 2.75 0.00 0.00 0.48 0.00 0.00 55.95 59.18 3i22 s SER 75 Cb 0.00 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 63.48 3i22 s SER 75 CO 0.00 -0.88 0.01 -0.69 0.98 0.00 0.00 173.24 172.66 3i22 s VAL 76 N 0.96 4.30 -0.27 5.02 1.01 -1.26 -3.91 120.40 126.25 3i22 s VAL 76 Ca 0.71 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 62.26 3i22 s VAL 76 Cb -0.46 -2.89 0.07 0.00 0.00 0.00 0.00 36.38 33.10 3i22 s VAL 76 CO 0.34 0.45 -0.06 -0.63 0.00 0.00 0.00 175.10 175.20 3i22 s ILE 77 N -1.03 1.95 -0.06 2.22 1.01 -0.66 -5.01 121.20 119.61 3i22 s ILE 77 Ca 0.18 -1.61 0.06 0.00 0.00 0.00 0.00 60.65 59.28 3i22 s ILE 77 Cb -0.12 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.17 3i22 s ILE 77 CO 0.08 -0.15 -0.24 0.00 0.00 0.00 0.00 174.94 174.63 3i22 s ARG 78 N 1.18 2.56 0.29 2.79 1.70 -1.26 -2.21 118.95 124.00 3i22 s ARG 78 Ca -0.05 -0.87 0.03 0.00 -0.47 0.00 0.00 55.73 54.37 3i22 s ARG 78 Cb -0.19 -2.13 -0.03 0.00 -0.57 0.00 0.00 34.95 32.03 3i22 s ARG 78 CO -0.06 0.33 0.44 -0.06 -1.08 0.00 0.00 175.30 174.87 3i22 s PHE 79 N -0.05 3.47 -0.87 5.89 0.40 -1.17 -4.99 117.98 120.66 3i22 s PHE 79 Ca -0.06 0.16 0.26 0.00 -0.60 0.00 0.00 56.93 56.68 3i22 s PHE 79 Cb -0.14 -1.73 0.61 0.00 0.51 0.00 0.00 43.02 42.27 3i22 s PHE 79 CO 0.04 0.30 1.50 -0.25 0.70 0.00 0.00 175.22 177.52 3i22 n ASP 80 N -1.54 0.49 -4.54 1.36 10.43 -1.26 -4.05 116.55 117.44 3i22 n ASP 80 Ca -0.07 0.06 -0.24 0.00 2.57 0.00 0.00 54.79 57.11 3i22 n ASP 80 Cb 0.56 0.02 -0.09 0.00 1.84 0.00 0.00 41.12 43.45 3i22 n ASP 80 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 3i22 s GLY 81 N -3.24 1.78 -0.43 0.44 0.00 -1.26 -4.87 107.32 99.73 3i22 s GLY 81 Ca 0.10 -1.74 -0.14 0.00 0.00 0.00 0.00 44.72 42.93 3i22 s GLY 81 CO 0.67 -1.81 0.33 -1.31 0.00 0.00 0.00 173.10 170.98 3i22 s ASN 82 N -3.43 6.06 0.38 1.64 0.01 -1.26 -3.76 114.94 114.58 3i22 s ASN 82 Ca 0.29 -1.13 0.08 0.00 -0.71 0.00 0.00 52.86 51.39 3i22 s ASN 82 Cb -0.06 -2.14 -0.07 0.00 0.41 0.00 0.00 41.25 39.38 3i22 s ASN 82 CO 0.16 -0.53 -0.01 0.00 -1.51 0.00 0.00 177.10 175.21 3i22 s ALA 83 N 1.63 3.13 0.21 0.60 0.00 0.23 -0.18 121.76 127.39 3i22 s ALA 83 Ca 0.04 -2.20 -0.17 0.00 0.00 0.00 0.00 51.96 49.63 3i22 s ALA 83 Cb -0.22 0.01 0.02 0.00 0.00 0.00 0.00 23.12 22.94 3i22 s ALA 83 CO 0.08 -0.04 0.54 0.00 0.00 0.00 0.00 175.76 176.34 3i22 s VAL 85 N -3.89 1.10 0.17 0.00 1.01 0.54 0.65 120.40 119.97 3i22 s VAL 85 Ca 0.11 -0.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 3i22 s VAL 85 Cb -0.02 -1.13 -0.08 0.00 0.00 0.00 0.00 36.38 35.15 3i22 s VAL 85 CO -0.00 0.34 1.24 -0.76 0.00 0.00 0.00 175.10 175.91 3i22 s LEU 86 N 1.67 4.42 0.41 3.92 1.43 -1.26 -0.73 118.68 128.55 3i22 s LEU 86 Ca 0.04 2.25 0.03 0.00 -1.03 0.00 0.00 54.13 55.43 3i22 s LEU 86 Cb -0.13 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 3i22 s LEU 86 CO -0.08 -0.44 0.08 -1.48 0.23 0.00 0.00 176.35 174.65 3i22 s LEU 87 N 0.06 2.16 0.00 1.79 2.34 -1.20 -1.15 118.68 122.68 3i22 s LEU 87 Ca 0.55 -1.57 0.00 0.00 0.06 0.00 0.00 54.13 53.17 3i22 s LEU 87 Cb -0.33 -0.35 0.00 0.00 -0.56 0.00 0.00 46.19 44.94 3i22 s LEU 87 CO 0.36 -0.80 0.27 0.59 -1.06 0.00 0.00 176.35 175.71 3i22 n ASN 88 N -1.11 0.12 0.00 1.48 3.02 0.41 -4.56 115.26 114.61 3i22 n ASN 88 Ca -0.08 -0.66 0.00 0.00 -0.03 0.00 0.00 54.58 53.82 3i22 n ASN 88 Cb 0.66 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 3i22 n ASN 88 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3i22 n ASN 89 N -0.20 0.00 0.28 6.41 2.85 -1.26 -2.32 115.26 121.02 3i22 n ASN 89 Ca 0.00 0.00 0.14 0.00 -0.11 0.00 0.00 54.58 54.61 3i22 n ASN 89 Cb 0.03 0.00 0.84 0.00 1.24 0.00 0.00 39.78 41.89 3i22 n ASN 89 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 3i22 h ASN 90 N 0.00 0.00 -0.20 1.20 -1.07 -1.98 -2.96 115.58 110.58 3i22 h ASN 90 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3i22 h ASN 90 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 3i22 h ASN 90 CO 0.00 0.05 0.00 -1.20 0.07 0.00 0.00 177.43 176.35 3i22 n SER 91 N -3.73 2.75 0.00 6.14 7.64 -0.98 -5.05 113.62 120.39 3i22 n SER 91 Ca -0.02 -1.80 0.00 0.00 1.01 0.00 0.00 58.87 58.05 3i22 n SER 91 Cb 0.15 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 3i22 n SER 91 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3i22 n GLU 92 N 0.97 0.00 -0.31 1.43 -0.58 -1.12 -4.75 120.64 116.27 3i22 n GLU 92 Ca 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 3i22 n GLU 92 Cb 0.45 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.32 3i22 n GLU 92 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3i22 n GLN 93 N 14.00 -0.06 -1.50 3.49 1.13 -1.26 0.16 117.38 133.33 3i22 n GLN 93 Ca 0.00 0.06 -0.54 0.00 -1.94 0.00 0.00 57.00 54.58 3i22 n GLN 93 Cb 0.00 -0.08 -0.06 0.00 0.11 0.00 0.00 30.24 30.21 3i22 n GLN 93 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 3i22 n PRO 94 N 1.42 0.30 -0.14 -1.09 -0.04 -1.26 -2.70 135.00 131.49 3i22 n PRO 94 Ca 0.00 0.11 -0.07 0.00 -0.04 0.00 0.00 63.50 63.49 3i22 n PRO 94 Cb 0.00 -1.52 0.01 0.00 -0.04 0.00 0.00 33.50 31.95 3i22 n PRO 94 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3i22 h ILE 95 N 2.57 1.08 -2.51 0.52 2.04 -1.38 -3.44 117.51 116.40 3i22 h ILE 95 Ca -0.45 -0.19 -0.20 0.00 1.00 0.00 0.00 64.86 65.03 3i22 h ILE 95 Cb 1.41 0.49 0.10 0.00 -0.74 0.00 0.00 36.82 38.07 3i22 h ILE 95 CO 0.65 0.10 0.09 0.61 0.00 0.00 0.00 178.15 179.60 3i22 n GLY 96 N -1.21 -2.37 2.65 5.37 0.00 -1.26 -5.02 105.19 103.34 3i22 n GLY 96 Ca 0.01 -1.51 -0.09 0.00 0.00 0.00 0.00 46.02 44.43 3i22 n GLY 96 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i22 n THR 97 N -3.53 0.79 0.00 2.61 -2.24 -1.26 -4.98 114.28 105.67 3i22 n THR 97 Ca 0.08 -2.88 0.00 0.00 -2.27 0.00 0.00 64.05 58.98 3i22 n THR 97 Cb 0.29 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 3i22 n THR 97 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3i22 n ARG 98 N -0.12 0.00 -3.96 -0.78 0.63 -1.26 -4.98 116.66 106.18 3i22 n ARG 98 Ca 0.08 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.88 3i22 n ARG 98 Cb 0.82 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 33.59 3i22 n ARG 98 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3i22 s ILE 99 N -2.00 0.13 -0.62 5.15 1.01 -1.26 -3.25 121.20 120.36 3i22 s ILE 99 Ca 0.00 -0.07 0.06 0.00 0.00 0.00 0.00 60.65 60.63 3i22 s ILE 99 Cb 0.00 -0.12 0.28 0.00 0.01 0.00 0.00 42.46 42.63 3i22 s ILE 99 CO 0.00 0.04 0.82 0.49 0.00 0.00 0.00 174.94 176.29 3i22 n PHE 100 N 3.04 3.79 0.00 3.97 3.01 -0.59 -4.66 117.46 126.01 3i22 n PHE 100 Ca -0.12 -4.10 0.00 0.00 1.01 0.00 0.00 57.45 54.24 3i22 n PHE 100 Cb 0.59 -0.54 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 3i22 n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i22 n GLY 101 N 0.49 1.69 3.68 1.37 0.00 -1.26 -4.93 105.19 106.23 3i22 n GLY 101 Ca 0.30 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 3i22 n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i22 s PRO 102 N -2.00 1.11 0.00 1.61 0.04 -1.26 -4.26 135.00 130.24 3i22 s PRO 102 Ca 0.00 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.65 3i22 s PRO 102 Cb 0.00 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.81 3i22 s PRO 102 CO 0.00 -2.58 0.00 1.33 0.04 0.00 0.00 177.00 175.79 3i22 n VAL 103 N -4.06 0.00 0.00 -0.36 0.24 -1.26 -4.83 118.33 108.06 3i22 n VAL 103 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.42 3i22 n VAL 103 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 3i22 n VAL 103 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 3i22 n THR 104 N 0.00 0.00 0.50 3.34 5.66 0.94 -4.82 114.28 119.89 3i22 n THR 104 Ca 0.00 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.02 3i22 n THR 104 Cb 0.00 0.00 0.14 0.00 -1.55 0.00 0.00 70.33 68.92 3i22 n THR 104 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 3i22 n ARG 105 N 0.00 0.25 0.19 1.09 0.00 -0.89 -1.95 116.66 115.35 3i22 n ARG 105 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.85 57.99 3i22 n ARG 105 Cb 0.00 -1.29 0.56 0.00 -0.00 0.00 0.00 32.46 31.73 3i22 n ARG 105 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 3i22 h GLU 106 N 0.00 0.00 -0.02 2.89 3.07 -1.94 -3.08 114.58 115.50 3i22 h GLU 106 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3i22 h GLU 106 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3i22 h GLU 106 CO 0.00 0.00 0.00 1.47 -1.40 0.00 0.00 179.01 179.08 3i22 n LEU 107 N -2.62 2.18 -0.14 1.33 -0.00 -0.82 -4.54 117.00 112.39 3i22 n LEU 107 Ca 0.02 -2.36 0.00 0.00 -0.00 0.00 0.00 56.01 53.67 3i22 n LEU 107 Cb 0.28 -0.15 0.00 0.00 -0.00 0.00 0.00 43.42 43.54 3i22 n LEU 107 CO 0.24 0.58 0.32 -2.11 -0.00 0.00 0.00 177.39 176.41 3i22 n ARG 108 N -0.75 0.74 -2.17 1.47 1.85 -1.17 -4.41 116.66 112.21 3i22 n ARG 108 Ca 0.06 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.48 3i22 n ARG 108 Cb 0.39 -1.10 -0.02 0.00 -1.05 0.00 0.00 32.46 30.67 3i22 n ARG 108 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 3i22 s SER 109 N -0.98 6.60 0.00 2.89 1.04 -1.26 -4.79 113.70 117.19 3i22 s SER 109 Ca 0.00 1.77 0.00 0.00 0.48 0.00 0.00 55.95 58.20 3i22 s SER 109 Cb 0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 3i22 s SER 109 CO 0.00 -1.05 0.00 -0.62 0.98 0.00 0.00 173.24 172.55 3i22 n GLU 110 N 7.27 0.00 0.28 4.02 1.02 -1.26 -1.43 120.64 130.53 3i22 n GLU 110 Ca 0.17 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.44 3i22 n GLU 110 Cb 0.45 0.00 0.81 0.00 -0.02 0.00 0.00 31.44 32.68 3i22 n GLU 110 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 3i22 h LYS 111 N 0.00 0.00 -0.99 3.49 -0.00 -1.92 -2.11 116.57 115.04 3i22 h LYS 111 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 60.65 60.35 3i22 h LYS 111 Cb 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 32.23 32.05 3i22 h LYS 111 CO 0.00 0.06 0.38 1.19 -0.00 0.00 0.00 179.45 181.08 3i22 n PHE 112 N -3.81 1.85 -0.11 0.07 3.01 -0.52 -4.46 117.46 113.49 3i22 n PHE 112 Ca -0.03 -1.28 -0.09 0.00 1.01 0.00 0.00 57.45 57.06 3i22 n PHE 112 Cb 0.15 -0.66 -0.02 0.00 -0.01 0.00 0.00 39.48 38.94 3i22 n PHE 112 CO 0.00 0.00 0.00 1.98 1.01 0.00 0.00 176.76 179.75 3i22 h MET 113 N 0.71 0.50 -0.76 -1.08 4.05 -1.58 -2.86 114.93 113.92 3i22 h MET 113 Ca 0.37 -0.09 0.17 0.00 -0.28 0.00 0.00 59.70 59.88 3i22 h MET 113 Cb 2.11 -0.08 -0.13 0.00 -0.80 0.00 0.00 31.60 32.70 3i22 h MET 113 CO 0.66 0.49 0.03 -0.22 0.23 0.00 0.00 176.91 178.10 3i22 h LYS 114 N 0.40 0.12 -0.02 0.39 1.63 -1.86 0.50 116.57 117.72 3i22 h LYS 114 Ca 0.11 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.93 3i22 h LYS 114 Cb 0.17 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.74 3i22 h LYS 114 CO -0.01 0.08 -0.15 0.82 -3.45 0.00 0.00 179.45 176.73 3i22 h ILE 115 N 0.12 0.62 0.00 2.00 5.03 -1.86 -1.92 117.51 121.50 3i22 h ILE 115 Ca 0.42 0.00 -0.06 0.00 -0.12 0.00 0.00 64.86 65.10 3i22 h ILE 115 Cb 0.75 0.62 -0.01 0.00 -3.03 0.00 0.00 36.82 35.15 3i22 h ILE 115 CO -0.65 0.00 -0.29 0.16 -0.68 0.00 0.00 178.15 176.69 3i22 h ILE 116 N -0.24 0.92 -0.84 -0.67 3.07 -1.11 -1.86 117.51 116.78 3i22 h ILE 116 Ca 0.06 -1.11 0.08 0.00 1.55 0.00 0.00 64.86 65.44 3i22 h ILE 116 Cb 0.32 1.65 -0.07 0.00 -0.27 0.00 0.00 36.82 38.45 3i22 h ILE 116 CO -0.16 0.28 0.50 0.28 -1.05 0.00 0.00 178.15 178.00 3i22 h SER 117 N 0.00 0.75 -3.09 2.16 0.02 0.71 -3.42 113.55 110.67 3i22 h SER 117 Ca -0.00 0.04 -0.53 0.00 -0.84 0.00 0.00 61.79 60.45 3i22 h SER 117 Cb 0.63 -0.11 0.02 0.00 0.14 0.00 0.00 62.40 63.08 3i22 h SER 117 CO 0.04 0.45 0.70 -0.76 -1.14 0.00 0.00 176.83 176.11 3i22 s LEU 118 N -10.24 4.38 0.00 5.07 1.43 -0.70 -4.90 118.68 113.72 3i22 s LEU 118 Ca -0.12 2.32 -0.00 0.00 -1.03 0.00 0.00 54.13 55.29 3i22 s LEU 118 Cb 0.19 -3.59 -0.00 0.00 0.03 0.00 0.00 46.19 42.82 3i22 s LEU 118 CO 0.79 -0.61 0.06 0.00 0.23 0.00 0.00 176.35 176.81 3i22 n ALA 119 N 3.68 -0.00 0.00 4.21 0.00 -1.26 -4.63 120.51 122.50 3i22 n ALA 119 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3i22 n ALA 119 Cb 0.43 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.90 3i22 n ALA 119 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3i22 n PRO 120 N -2.20 0.00 0.00 0.00 -0.02 -1.26 -4.91 135.00 126.60 3i22 n PRO 120 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3i22 n PRO 120 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3i22 n PRO 120 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3i22 n GLU 121 N 0.00 0.27 0.00 -0.52 1.02 -1.26 -4.98 120.64 115.17 3i22 n GLU 121 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3i22 n GLU 121 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3i22 n GLU 121 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59