#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i22 n ARG 2 N 0.00 0.00 0.00 -1.46 0.00 -1.26 -4.15 116.66 109.79 3i22 n ARG 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3i22 n ARG 2 Cb 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 32.46 28.74 3i22 n ARG 2 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 3i22 n VAL 3 N -2.00 0.00 1.03 5.15 0.24 -1.26 -4.82 118.33 116.67 3i22 n VAL 3 Ca 0.00 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.37 3i22 n VAL 3 Cb 0.00 0.03 0.39 0.00 -1.47 0.00 0.00 33.84 32.79 3i22 n VAL 3 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i22 n ALA 4 N 0.00 2.09 0.01 2.33 0.00 -1.26 -2.15 120.51 121.53 3i22 n ALA 4 Ca 0.00 -0.08 -0.15 0.00 0.00 0.00 0.00 53.44 53.21 3i22 n ALA 4 Cb 0.00 -1.21 -0.14 0.00 0.00 0.00 0.00 19.45 18.10 3i22 n ALA 4 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3i22 h LYS 5 N 0.00 0.15 -6.05 0.00 1.79 -1.87 -3.33 116.57 107.26 3i22 h LYS 5 Ca 0.00 -0.26 -0.66 0.00 -2.18 0.00 0.00 60.65 57.55 3i22 h LYS 5 Cb 0.00 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 3i22 h LYS 5 CO 0.00 0.90 1.32 0.00 -1.08 0.00 0.00 179.45 180.59 3i22 n ALA 6 N -2.74 0.99 1.40 3.86 0.00 -0.91 -4.80 120.51 118.30 3i22 n ALA 6 Ca -0.22 0.02 0.02 0.00 0.00 0.00 0.00 53.44 53.26 3i22 n ALA 6 Cb 1.05 -2.54 0.11 0.00 0.00 0.00 0.00 19.45 18.07 3i22 n ALA 6 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3i22 n PRO 7 N 7.72 0.70 0.00 0.00 -0.02 -1.26 -4.76 135.00 137.38 3i22 n PRO 7 Ca 0.36 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 3i22 n PRO 7 Cb 0.25 -1.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.65 3i22 n PRO 7 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3i22 n VAL 8 N -0.58 0.00 -1.21 -1.45 0.31 -1.25 -0.83 118.33 113.32 3i22 n VAL 8 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 3i22 n VAL 8 Cb 0.01 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 3i22 n VAL 8 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3i22 n VAL 9 N 0.00 -6.80 -3.86 2.52 0.31 -1.26 -5.04 118.33 104.20 3i22 n VAL 9 Ca 0.00 1.66 -0.12 0.00 -0.01 0.00 0.00 64.34 65.87 3i22 n VAL 9 Cb 0.00 -3.42 -0.14 0.00 -0.91 0.00 0.00 33.84 29.37 3i22 n VAL 9 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3i22 s VAL 10 N -0.58 -0.00 0.00 2.52 -7.23 -1.26 -5.03 120.40 108.81 3i22 s VAL 10 Ca 0.00 0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.18 3i22 s VAL 10 Cb 0.00 -0.04 0.00 0.00 0.56 0.00 0.00 36.38 36.90 3i22 s VAL 10 CO 0.00 0.00 0.00 -0.81 -0.31 0.00 0.00 175.10 173.98 3i22 n PRO 11 N 3.10 3.14 -2.08 4.82 -0.04 -1.26 -4.91 135.00 137.78 3i22 n PRO 11 Ca -0.13 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.06 3i22 n PRO 11 Cb 0.60 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.12 3i22 n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i22 s ALA 12 N -3.12 2.97 0.00 0.55 0.00 -1.26 -4.19 121.76 116.72 3i22 s ALA 12 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.25 3i22 s ALA 12 Cb 0.00 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.33 3i22 s ALA 12 CO 0.00 -1.32 0.00 0.41 0.00 0.00 0.00 175.76 174.85 3i22 n GLY 13 N -3.02 1.45 3.63 0.00 0.00 -1.26 -4.97 105.19 101.02 3i22 n GLY 13 Ca 0.07 -0.09 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 3i22 n GLY 13 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i22 n VAL 14 N 0.00 1.80 -0.04 1.61 0.24 -1.25 -4.59 118.33 116.09 3i22 n VAL 14 Ca 0.00 -0.45 -0.02 0.00 -2.04 0.00 0.00 64.34 61.83 3i22 n VAL 14 Cb 0.00 -1.19 -0.01 0.00 -1.47 0.00 0.00 33.84 31.17 3i22 n VAL 14 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3i22 n ASP 15 N 1.26 0.90 -3.07 -1.34 2.03 -1.06 -4.92 116.55 110.36 3i22 n ASP 15 Ca 0.09 0.43 -0.04 0.00 0.52 0.00 0.00 54.79 55.79 3i22 n ASP 15 Cb 0.32 -0.68 0.00 0.00 -0.72 0.00 0.00 41.12 40.04 3i22 n ASP 15 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 3i22 n VAL 16 N -3.43 -9.82 -4.04 5.18 0.31 -1.24 -4.94 118.33 100.36 3i22 n VAL 16 Ca -0.04 0.06 -0.32 0.00 -0.01 0.00 0.00 64.34 64.03 3i22 n VAL 16 Cb 0.13 -6.69 -0.15 0.00 -0.91 0.00 0.00 33.84 26.23 3i22 n VAL 16 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3i22 s LYS 17 N -3.02 1.90 -0.46 5.55 2.47 -1.05 -5.05 119.74 120.08 3i22 s LYS 17 Ca 0.07 -1.56 -0.21 0.00 -1.56 0.00 0.00 55.97 52.71 3i22 s LYS 17 Cb -0.02 -3.01 0.03 0.00 -1.46 0.00 0.00 37.83 33.38 3i22 s LYS 17 CO 0.77 -0.73 0.68 -1.50 0.16 0.00 0.00 175.35 174.73 3i22 s ILE 18 N 1.03 4.78 0.21 5.43 2.07 -1.26 -3.20 121.20 130.26 3i22 s ILE 18 Ca -0.01 0.03 0.02 0.00 -1.41 0.00 0.00 60.65 59.28 3i22 s ILE 18 Cb -0.20 -4.26 -0.07 0.00 0.13 0.00 0.00 42.46 38.06 3i22 s ILE 18 CO -0.06 -0.70 1.50 0.78 -1.91 0.00 0.00 174.94 174.55 3i22 h ASN 19 N 8.95 0.37 0.00 4.50 -0.26 -1.91 -3.48 115.58 123.74 3i22 h ASN 19 Ca -0.26 -0.23 0.00 0.00 -0.56 0.00 0.00 56.30 55.26 3i22 h ASN 19 Cb 1.09 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 38.24 3i22 h ASN 19 CO 0.93 0.92 0.00 0.61 -1.06 0.00 0.00 177.43 178.83 3i22 n GLY 20 N 0.39 2.16 0.13 2.83 0.00 -1.26 -4.87 105.19 104.57 3i22 n GLY 20 Ca -0.03 -0.30 -0.19 0.00 0.00 0.00 0.00 46.02 45.50 3i22 n GLY 20 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i22 n GLN 21 N 0.00 0.67 -3.49 1.61 0.00 -1.26 -4.97 117.38 109.95 3i22 n GLN 21 Ca 0.00 0.18 -0.19 0.00 -0.00 0.00 0.00 57.00 56.99 3i22 n GLN 21 Cb 0.00 -1.56 -0.01 0.00 0.00 0.00 0.00 30.24 28.66 3i22 n GLN 21 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 3i22 s VAL 22 N -2.53 3.72 -0.03 1.69 1.01 -1.26 -0.27 120.40 122.73 3i22 s VAL 22 Ca -0.32 -1.10 -0.04 0.00 0.00 0.00 0.00 61.98 60.52 3i22 s VAL 22 Cb 0.09 -3.28 0.01 0.00 0.00 0.00 0.00 36.38 33.19 3i22 s VAL 22 CO 0.64 -0.13 0.10 -0.63 0.00 0.00 0.00 175.10 175.08 3i22 s ILE 23 N -2.24 0.01 -0.04 2.22 1.01 -0.43 -2.63 121.20 119.10 3i22 s ILE 23 Ca 0.46 -0.12 -0.01 0.00 0.00 0.00 0.00 60.65 60.98 3i22 s ILE 23 Cb -0.08 -0.19 0.03 0.00 0.01 0.00 0.00 42.46 42.23 3i22 s ILE 23 CO 0.30 -0.06 0.04 0.42 0.00 0.00 0.00 174.94 175.64 3i22 s THR 24 N -0.17 -0.02 -0.34 2.92 -4.23 -1.19 -1.76 115.64 110.84 3i22 s THR 24 Ca -0.02 0.32 -0.02 0.00 -1.18 0.00 0.00 61.69 60.79 3i22 s THR 24 Cb -0.02 -0.18 0.07 0.00 1.34 0.00 0.00 72.50 73.71 3i22 s THR 24 CO 0.00 0.16 0.08 -0.63 -0.54 0.00 0.00 174.62 173.69 3i22 s ILE 25 N 1.79 3.03 0.03 2.99 1.09 -1.25 -2.51 121.20 126.36 3i22 s ILE 25 Ca 0.00 -1.70 -0.27 0.00 -1.10 0.00 0.00 60.65 57.58 3i22 s ILE 25 Cb -0.12 -2.90 -0.04 0.00 -1.06 0.00 0.00 42.46 38.33 3i22 s ILE 25 CO -0.03 -0.35 0.86 -0.75 -0.10 0.00 0.00 174.94 174.57 3i22 s LYS 26 N 1.18 4.55 0.00 2.79 2.36 -1.26 -3.98 119.74 125.38 3i22 s LYS 26 Ca 0.01 1.23 0.00 0.00 -2.55 0.00 0.00 55.97 54.66 3i22 s LYS 26 Cb -0.21 -3.41 0.00 0.00 -1.05 0.00 0.00 37.83 33.16 3i22 s LYS 26 CO -0.03 0.13 0.00 0.41 1.55 0.00 0.00 175.35 177.41 3i22 n GLY 27 N 2.64 5.50 0.96 5.54 0.00 -1.14 -2.56 105.19 116.14 3i22 n GLY 27 Ca 0.01 -1.74 0.12 0.00 0.00 0.00 0.00 46.02 44.41 3i22 n GLY 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i22 n LYS 28 N 0.00 2.28 0.00 1.61 5.02 -0.63 -4.41 118.16 122.02 3i22 n LYS 28 Ca 0.00 -1.91 0.00 0.00 -2.02 0.00 0.00 58.31 54.38 3i22 n LYS 28 Cb 0.00 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 3i22 n LYS 28 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3i22 n ASN 29 N 1.16 0.00 -4.28 4.39 5.15 0.52 -4.96 115.26 117.25 3i22 n ASN 29 Ca 0.18 0.00 -0.45 0.00 -0.60 0.00 0.00 54.58 53.71 3i22 n ASN 29 Cb 0.54 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.75 3i22 n ASN 29 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3i22 s GLY 30 N 0.00 2.53 -1.12 8.20 0.00 -0.03 -4.80 107.32 112.10 3i22 s GLY 30 Ca 0.00 -3.17 -0.22 0.00 0.00 0.00 0.00 44.72 41.34 3i22 s GLY 30 CO 0.00 1.21 1.74 1.85 0.00 0.00 0.00 173.10 177.90 3i22 s GLU 31 N 0.37 3.29 -0.18 2.90 2.12 -1.26 -2.87 118.70 123.07 3i22 s GLU 31 Ca 0.15 -1.27 -0.04 0.00 0.36 0.00 0.00 54.97 54.17 3i22 s GLU 31 Cb -0.15 -5.34 0.01 0.00 0.26 0.00 0.00 34.13 28.90 3i22 s GLU 31 CO -0.06 -2.82 0.16 1.28 -0.54 0.00 0.00 175.26 173.27 3i22 n LEU 32 N 10.84 -4.94 -4.40 2.70 4.32 -1.26 -4.97 117.00 119.29 3i22 n LEU 32 Ca 0.42 0.47 -0.45 0.00 -0.02 0.00 0.00 56.01 56.43 3i22 n LEU 32 Cb 0.48 -2.17 -0.03 0.00 -1.62 0.00 0.00 43.42 40.08 3i22 n LEU 32 CO 0.69 -1.36 0.72 0.42 -1.22 0.00 0.00 177.39 176.64 3i22 s THR 33 N -1.32 4.96 0.39 -5.08 -4.23 -1.26 -5.00 115.64 104.10 3i22 s THR 33 Ca 0.06 -1.65 -0.25 0.00 -1.18 0.00 0.00 61.69 58.68 3i22 s THR 33 Cb -0.02 -4.64 -0.09 0.00 1.34 0.00 0.00 72.50 69.09 3i22 s THR 33 CO 0.38 -1.31 1.07 -0.13 -0.54 0.00 0.00 174.62 174.09 3i22 s ARG 34 N 2.08 4.18 -0.28 3.99 1.81 -1.26 -3.83 118.95 125.64 3i22 s ARG 34 Ca 0.24 1.57 -0.06 0.00 -1.72 0.00 0.00 55.73 55.76 3i22 s ARG 34 Cb -0.10 -2.61 0.15 0.00 -0.45 0.00 0.00 34.95 31.94 3i22 s ARG 34 CO -0.05 -0.14 0.59 0.95 -0.68 0.00 0.00 175.30 175.96 3i22 s THR 35 N -1.59 -0.93 0.54 0.02 -4.23 -0.72 -4.99 115.64 103.74 3i22 s THR 35 Ca 0.57 0.01 -0.16 0.00 -1.18 0.00 0.00 61.69 60.93 3i22 s THR 35 Cb -0.24 -0.95 -0.06 0.00 1.34 0.00 0.00 72.50 72.59 3i22 s THR 35 CO 0.30 -0.00 1.01 -0.76 -0.54 0.00 0.00 174.62 174.62 3i22 s LEU 36 N 2.83 3.54 0.51 4.79 1.02 -1.26 -1.32 118.68 128.80 3i22 s LEU 36 Ca 0.05 1.60 0.05 0.00 0.02 0.00 0.00 54.13 55.85 3i22 s LEU 36 Cb -0.13 -4.51 0.01 0.00 0.02 0.00 0.00 46.19 41.58 3i22 s LEU 36 CO -0.19 -0.74 0.29 0.20 0.02 0.00 0.00 176.35 175.93 3i22 s ASN 37 N -3.17 4.52 0.00 2.29 -0.87 0.62 -4.93 114.94 113.40 3i22 s ASN 37 Ca 0.59 -1.28 0.00 0.00 -1.57 0.00 0.00 52.86 50.60 3i22 s ASN 37 Cb -0.11 0.26 0.00 0.00 -0.02 0.00 0.00 41.25 41.38 3i22 s ASN 37 CO 0.35 -0.95 0.00 -0.90 -2.57 0.00 0.00 177.10 173.03 3i22 n ASP 38 N -1.58 2.52 -3.15 -1.22 5.75 -1.26 -4.94 116.55 112.67 3i22 n ASP 38 Ca -0.05 0.00 0.06 0.00 -0.01 0.00 0.00 54.79 54.79 3i22 n ASP 38 Cb 0.65 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 3i22 n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i22 s ALA 39 N -1.71 -4.37 0.00 2.12 0.00 -1.26 -5.17 121.76 111.36 3i22 s ALA 39 Ca 0.00 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.38 3i22 s ALA 39 Cb 0.00 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.22 3i22 s ALA 39 CO 0.00 -2.15 0.00 1.33 0.00 0.00 0.00 175.76 174.94 3i22 n VAL 40 N 5.04 0.00 -3.17 0.00 0.24 -1.26 -4.76 118.33 114.42 3i22 n VAL 40 Ca 0.10 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.21 3i22 n VAL 40 Cb 0.58 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.92 3i22 n VAL 40 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3i22 n GLU 41 N 0.00 1.15 -1.68 7.34 4.07 0.12 -4.82 120.64 126.82 3i22 n GLU 41 Ca 0.00 -3.50 -0.46 0.00 -0.06 0.00 0.00 57.16 53.14 3i22 n GLU 41 Cb 0.00 -1.71 -0.04 0.00 -0.06 0.00 0.00 31.44 29.63 3i22 n GLU 41 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 3i22 n VAL 42 N 0.36 0.57 -4.14 6.31 3.14 -1.26 -2.73 118.33 120.57 3i22 n VAL 42 Ca 0.25 -0.10 -0.17 0.00 -2.96 0.00 0.00 64.34 61.36 3i22 n VAL 42 Cb 0.62 -2.00 -0.12 0.00 -1.06 0.00 0.00 33.84 31.28 3i22 n VAL 42 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3i22 s LYS 43 N 3.80 0.74 -0.00 1.45 1.02 -1.15 -4.99 119.74 120.61 3i22 s LYS 43 Ca 0.89 -0.90 0.07 0.00 0.02 0.00 0.00 55.97 56.06 3i22 s LYS 43 Cb -0.60 -0.69 -0.08 0.00 -0.52 0.00 0.00 37.83 35.94 3i22 s LYS 43 CO 0.46 0.15 0.29 1.58 -0.92 0.00 0.00 175.35 176.91 3i22 n HIS 44 N 1.33 0.00 0.00 3.18 -0.00 -1.26 -1.61 115.22 116.86 3i22 n HIS 44 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.50 3i22 n HIS 44 Cb 0.54 -0.02 0.00 0.00 -0.00 0.00 0.00 29.99 30.51 3i22 n HIS 44 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3i22 n ALA 45 N -1.24 0.00 0.00 1.57 0.00 -1.26 -2.63 120.51 116.96 3i22 n ALA 45 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3i22 n ALA 45 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 3i22 n ALA 45 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i22 n ASP 46 N 1.94 0.00 -0.33 0.00 10.43 -1.26 -4.97 116.55 122.36 3i22 n ASP 46 Ca 0.00 0.00 0.03 0.00 2.57 0.00 0.00 54.79 57.39 3i22 n ASP 46 Cb 0.00 0.14 0.04 0.00 1.84 0.00 0.00 41.12 43.14 3i22 n ASP 46 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3i22 n ASN 47 N -1.66 0.68 0.00 -2.24 3.02 -1.23 -5.04 115.26 108.79 3i22 n ASN 47 Ca 0.00 -2.21 0.00 0.00 -0.03 0.00 0.00 54.58 52.34 3i22 n ASN 47 Cb 0.00 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 3i22 n ASN 47 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3i22 n THR 48 N -0.39 0.00 0.00 3.41 -2.24 -1.08 -4.42 114.28 109.55 3i22 n THR 48 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 3i22 n THR 48 Cb 0.65 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 3i22 n THR 48 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3i22 n LEU 49 N 0.00 0.00 -4.37 3.22 7.94 -0.01 -4.50 117.00 119.28 3i22 n LEU 49 Ca 0.00 0.00 -0.32 0.00 -1.11 0.00 0.00 56.01 54.58 3i22 n LEU 49 Cb 0.00 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 43.80 3i22 n LEU 49 CO 0.00 0.00 -0.52 -0.89 -1.11 0.00 0.00 177.39 174.87 3i22 s THR 50 N 0.00 2.44 0.51 1.96 2.01 -0.63 -3.85 115.64 118.08 3i22 s THR 50 Ca 0.00 -0.96 0.05 0.00 0.31 0.00 0.00 61.69 61.09 3i22 s THR 50 Cb 0.00 -1.89 0.02 0.00 0.01 0.00 0.00 72.50 70.63 3i22 s THR 50 CO 0.00 0.58 0.31 -0.36 -0.69 0.00 0.00 174.62 174.46 3i22 s PHE 51 N -0.62 1.85 0.36 4.92 0.08 -1.25 -2.91 117.98 120.41 3i22 s PHE 51 Ca 0.10 -0.81 -0.08 0.00 0.12 0.00 0.00 56.93 56.26 3i22 s PHE 51 Cb -0.10 -1.89 0.02 0.00 -0.57 0.00 0.00 43.02 40.48 3i22 s PHE 51 CO -0.00 -0.26 0.60 0.20 -0.10 0.00 0.00 175.22 175.66 3i22 s GLY 52 N -4.16 1.02 0.00 4.36 0.00 -1.11 -4.81 107.32 102.63 3i22 s GLY 52 Ca 0.31 -1.19 0.00 0.00 0.00 0.00 0.00 44.72 43.84 3i22 s GLY 52 CO 0.19 -0.71 0.00 -1.55 0.00 0.00 0.00 173.10 171.02 3i22 n PRO 53 N -0.55 1.51 -4.09 2.90 -0.04 -1.26 0.15 135.00 133.63 3i22 n PRO 53 Ca -0.03 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.36 3i22 n PRO 53 Cb 0.61 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.97 3i22 n PRO 53 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3i22 s ARG 54 N 0.63 0.61 -0.34 0.54 0.52 -1.26 -4.10 118.95 115.55 3i22 s ARG 54 Ca 0.00 -1.21 -0.33 0.00 -0.52 0.00 0.00 55.73 53.67 3i22 s ARG 54 Cb 0.00 0.21 -0.10 0.00 0.52 0.00 0.00 34.95 35.58 3i22 s ARG 54 CO 0.00 -0.11 2.22 -3.47 0.02 0.00 0.00 175.30 173.96 3i22 n ASP 55 N 0.12 2.34 -3.83 0.23 -0.08 -1.26 -3.25 116.55 110.83 3i22 n ASP 55 Ca -0.14 0.31 -0.23 0.00 -1.51 0.00 0.00 54.79 53.22 3i22 n ASP 55 Cb 0.61 -1.33 0.01 0.00 2.34 0.00 0.00 41.12 42.74 3i22 n ASP 55 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3i22 n GLY 56 N 6.36 -0.26 1.24 0.27 0.00 -1.26 -4.99 105.19 106.55 3i22 n GLY 56 Ca 0.39 0.14 -0.11 0.00 0.00 0.00 0.00 46.02 46.45 3i22 n GLY 56 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i22 n TYR 57 N -4.33 0.07 -1.86 1.61 0.53 -1.20 -5.10 117.16 106.87 3i22 n TYR 57 Ca -0.30 -0.83 -0.41 0.00 -1.02 0.00 0.00 57.90 55.33 3i22 n TYR 57 Cb 0.68 -0.12 -0.01 0.00 -1.03 0.00 0.00 39.34 38.86 3i22 n TYR 57 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3i22 s ALA 58 N -2.29 3.63 0.00 -0.72 0.00 -1.26 -4.09 121.76 117.03 3i22 s ALA 58 Ca 0.02 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.48 3i22 s ALA 58 Cb -0.00 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.52 3i22 s ALA 58 CO 0.01 -0.94 0.00 -0.40 0.00 0.00 0.00 175.76 174.43 3i22 n ASP 59 N 1.33 0.00 -4.63 0.00 5.68 -1.26 -4.86 116.55 112.81 3i22 n ASP 59 Ca 0.04 0.00 -0.28 0.00 -0.50 0.00 0.00 54.79 54.05 3i22 n ASP 59 Cb 0.39 0.00 0.20 0.00 -1.14 0.00 0.00 41.12 40.57 3i22 n ASP 59 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3i22 s GLY 60 N -1.63 1.55 0.00 6.12 0.00 -1.26 -1.92 107.32 110.19 3i22 s GLY 60 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 44.72 44.36 3i22 s GLY 60 CO 0.00 0.30 0.00 0.79 0.00 0.00 0.00 173.10 174.19 3i22 n TRP 61 N -4.38 0.00 0.32 1.90 7.02 -1.26 -3.95 117.44 117.09 3i22 n TRP 61 Ca 0.04 0.00 0.21 0.00 -1.02 0.00 0.00 57.50 56.74 3i22 n TRP 61 Cb 0.57 0.00 1.06 0.00 -2.42 0.00 0.00 31.31 30.52 3i22 n TRP 61 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3i22 h ALA 62 N 0.00 1.00 0.00 6.99 0.00 -1.92 0.42 119.26 125.75 3i22 h ALA 62 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i22 h ALA 62 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3i22 h ALA 62 CO 0.00 0.00 -0.52 0.94 0.00 0.00 0.00 179.25 179.67 3i22 n GLN 63 N -3.08 0.26 -0.10 0.00 -0.06 -0.81 -3.56 117.38 110.04 3i22 n GLN 63 Ca -0.02 0.09 -0.18 0.00 -2.00 0.00 0.00 57.00 54.90 3i22 n GLN 63 Cb 0.14 -1.68 -0.13 0.00 -4.06 0.00 0.00 30.24 24.51 3i22 n GLN 63 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3i22 n ALA 64 N -1.79 1.36 -0.34 1.69 0.00 0.25 -3.59 120.51 118.09 3i22 n ALA 64 Ca 0.04 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.44 3i22 n ALA 64 Cb 0.43 -0.22 0.17 0.00 0.00 0.00 0.00 19.45 19.83 3i22 n ALA 64 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i22 h GLY 65 N 2.10 1.37 0.75 0.00 0.00 -0.42 0.54 103.07 107.40 3i22 h GLY 65 Ca -0.54 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 46.31 3i22 h GLY 65 CO -0.04 0.42 -0.00 -0.91 0.00 0.00 0.00 176.54 176.00 3i22 h THR 66 N 1.21 1.20 -1.00 4.70 1.35 -1.76 -0.25 112.91 118.35 3i22 h THR 66 Ca 0.37 -0.58 0.14 0.00 -0.55 0.00 0.00 66.41 65.79 3i22 h THR 66 Cb -0.02 1.59 -0.09 0.00 -1.73 0.00 0.00 68.15 67.90 3i22 h THR 66 CO -0.11 0.15 0.63 0.00 -0.25 0.00 0.00 175.52 175.94 3i22 h ALA 67 N 0.75 1.57 0.20 6.62 0.00 -1.31 0.10 119.26 127.19 3i22 h ALA 67 Ca -0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3i22 h ALA 67 Cb 0.25 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3i22 h ALA 67 CO 0.00 0.14 -0.10 -0.09 0.00 0.00 0.00 179.25 179.20 3i22 h ARG 68 N 0.92 -0.26 -0.86 0.00 1.12 0.21 0.17 114.38 115.68 3i22 h ARG 68 Ca 0.52 0.02 0.12 0.00 -1.11 0.00 0.00 59.98 59.54 3i22 h ARG 68 Cb 0.62 0.06 -0.08 0.00 -0.01 0.00 0.00 29.97 30.56 3i22 h ARG 68 CO -0.30 0.03 0.47 0.00 -3.11 0.00 0.00 179.97 177.06 3i22 h ALA 69 N 0.18 1.27 0.20 2.80 0.00 -0.10 0.40 119.26 124.01 3i22 h ALA 69 Ca -0.03 0.06 -0.33 0.00 0.00 0.00 0.00 54.91 54.61 3i22 h ALA 69 Cb 0.41 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.13 3i22 h ALA 69 CO 0.05 0.02 -1.53 1.37 0.00 0.00 0.00 179.25 179.15 3i22 h LEU 70 N 0.73 0.65 -0.14 0.00 8.10 -0.97 -2.95 115.31 120.73 3i22 h LEU 70 Ca 0.44 -0.79 -0.23 0.00 0.11 0.00 0.00 57.88 57.41 3i22 h LEU 70 Cb 0.53 -0.21 0.01 0.00 -0.44 0.00 0.00 40.66 40.55 3i22 h LEU 70 CO -0.31 1.64 -0.83 0.25 -4.11 0.00 0.00 178.44 175.08 3i22 h LEU 71 N 0.11 0.92 -0.22 0.17 7.12 -0.27 0.22 115.31 123.37 3i22 h LEU 71 Ca -0.26 -0.63 -0.12 0.00 0.13 0.00 0.00 57.88 57.00 3i22 h LEU 71 Cb 2.10 -0.27 -0.00 0.00 -0.53 0.00 0.00 40.66 41.96 3i22 h LEU 71 CO 0.22 1.43 -0.34 -0.55 -0.13 0.00 0.00 178.44 179.07 3i22 h ASN 72 N 0.50 0.68 0.48 1.25 -1.07 -0.35 0.78 115.58 117.85 3i22 h ASN 72 Ca -0.07 -0.52 -0.05 0.00 0.07 0.00 0.00 56.30 55.73 3i22 h ASN 72 Cb 1.46 -0.19 -0.01 0.00 -2.07 0.00 0.00 38.32 37.51 3i22 h ASN 72 CO 0.17 1.07 -0.24 0.77 0.07 0.00 0.00 177.43 179.27 3i22 h SER 73 N 0.31 0.00 -0.58 6.14 4.64 -1.58 0.21 113.55 122.69 3i22 h SER 73 Ca 0.02 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.25 3i22 h SER 73 Cb 0.93 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.99 3i22 h SER 73 CO 0.08 0.24 0.02 -0.03 -0.87 0.00 0.00 176.83 176.27 3i22 h MET 74 N 0.00 1.02 -0.02 4.77 4.05 -0.38 -1.93 114.93 122.44 3i22 h MET 74 Ca -0.00 -0.30 -0.15 0.00 -0.28 0.00 0.00 59.70 58.97 3i22 h MET 74 Cb 0.54 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.22 3i22 h MET 74 CO 0.03 0.99 -0.66 0.28 0.23 0.00 0.00 176.91 177.78 3i22 h VAL 75 N 0.94 1.44 0.00 -5.77 2.07 0.79 -1.34 116.25 114.39 3i22 h VAL 75 Ca 0.17 -2.18 0.00 0.00 0.82 0.00 0.00 66.70 65.52 3i22 h VAL 75 Cb 0.51 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 3i22 h VAL 75 CO 0.02 0.63 0.00 -0.38 0.02 0.00 0.00 177.57 177.87 3i22 n ILE 76 N -3.79 0.73 -0.04 4.57 2.08 0.56 -3.20 119.36 120.26 3i22 n ILE 76 Ca -0.02 0.13 0.01 0.00 0.56 0.00 0.00 62.75 63.43 3i22 n ILE 76 Cb 0.65 -0.92 -0.13 0.00 -0.75 0.00 0.00 39.64 38.49 3i22 n ILE 76 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3i22 n GLY 77 N 0.42 -0.80 0.16 7.39 0.00 -0.75 -3.61 105.19 107.99 3i22 n GLY 77 Ca 0.04 -0.35 0.01 0.00 0.00 0.00 0.00 46.02 45.71 3i22 n GLY 77 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3i22 h VAL 78 N 0.00 1.31 -1.14 1.61 -1.51 -1.22 -2.99 116.25 112.30 3i22 h VAL 78 Ca -0.19 -1.84 -0.48 0.00 -1.23 0.00 0.00 66.70 62.96 3i22 h VAL 78 Cb 1.32 2.01 -0.41 0.00 -2.13 0.00 0.00 31.29 32.08 3i22 h VAL 78 CO 0.01 0.52 -0.93 0.35 -1.23 0.00 0.00 177.57 176.29 3i22 n THR 79 N -3.82 1.86 0.05 7.19 -2.24 -1.24 -0.36 114.28 115.73 3i22 n THR 79 Ca -0.01 -4.05 0.00 0.00 -2.27 0.00 0.00 64.05 57.72 3i22 n THR 79 Cb 0.55 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 3i22 n THR 79 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3i22 n GLU 80 N -0.39 0.00 0.00 -0.78 0.00 -1.25 -4.90 120.64 113.32 3i22 n GLU 80 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.43 3i22 n GLU 80 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.21 3i22 n GLU 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3i22 n GLY 81 N -1.11 0.91 3.50 8.31 0.00 -1.13 -5.03 105.19 110.63 3i22 n GLY 81 Ca 0.00 -2.19 -0.24 0.00 0.00 0.00 0.00 46.02 43.59 3i22 n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i22 s PHE 82 N -1.21 2.14 0.00 1.61 0.08 -1.21 -4.62 117.98 114.78 3i22 s PHE 82 Ca 0.00 -0.77 0.00 0.00 0.12 0.00 0.00 56.93 56.28 3i22 s PHE 82 Cb 0.00 -1.37 0.00 0.00 -0.57 0.00 0.00 43.02 41.08 3i22 s PHE 82 CO 0.00 0.25 0.00 0.25 -0.10 0.00 0.00 175.22 175.62 3i22 n THR 83 N -0.74 0.00 0.00 0.64 -2.24 -1.26 -4.53 114.28 106.15 3i22 n THR 83 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3i22 n THR 83 Cb 0.65 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 3i22 n THR 83 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3i22 n LYS 84 N -0.40 0.00 0.00 -0.78 0.00 -1.26 -4.61 118.16 111.11 3i22 n LYS 84 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3i22 n LYS 84 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 3i22 n LYS 84 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 3i22 n LYS 85 N -0.14 0.00 0.00 -1.58 2.85 -1.20 -4.89 118.16 113.20 3i22 n LYS 85 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3i22 n LYS 85 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 3i22 n LYS 85 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3i22 n LEU 86 N 0.00 0.00 -4.79 -5.58 4.77 -0.61 -4.80 117.00 105.99 3i22 n LEU 86 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 3i22 n LEU 86 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 3i22 n LEU 86 CO 0.00 0.00 0.73 0.00 -1.33 0.00 0.00 177.39 176.79 3i22 s GLN 87 N 0.00 3.29 0.03 3.23 -2.07 -1.16 -2.13 119.66 120.86 3i22 s GLN 87 Ca 0.00 1.29 -0.06 0.00 -1.82 0.00 0.00 55.36 54.77 3i22 s GLN 87 Cb 0.00 -2.02 -0.01 0.00 -1.09 0.00 0.00 33.01 29.89 3i22 s GLN 87 CO 0.00 -0.84 0.10 -0.48 -1.32 0.00 0.00 175.29 172.75 3i22 s LEU 88 N -4.37 1.77 -0.04 2.60 0.05 0.38 -2.35 118.68 116.72 3i22 s LEU 88 Ca 0.65 -0.48 0.04 0.00 0.05 0.00 0.00 54.13 54.39 3i22 s LEU 88 Cb -0.17 0.61 -0.00 0.00 -2.05 0.00 0.00 46.19 44.57 3i22 s LEU 88 CO 0.35 -0.49 -0.17 -0.69 -0.55 0.00 0.00 176.35 174.80 3i22 s VAL 89 N -2.41 1.44 0.00 1.48 1.01 -0.88 -4.85 120.40 116.19 3i22 s VAL 89 Ca -0.07 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.19 3i22 s VAL 89 Cb -0.02 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 35.12 3i22 s VAL 89 CO -0.04 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.09 3i22 n GLY 90 N 3.13 -0.54 0.00 4.51 0.00 -1.26 -3.29 105.19 107.75 3i22 n GLY 90 Ca -0.18 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3i22 n GLY 90 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i22 n VAL 91 N 0.00 0.00 -0.19 1.61 0.24 -1.26 -4.89 118.33 113.84 3i22 n VAL 91 Ca 0.00 0.00 0.26 0.00 -2.04 0.00 0.00 64.34 62.56 3i22 n VAL 91 Cb 0.00 0.00 0.40 0.00 -1.47 0.00 0.00 33.84 32.77 3i22 n VAL 91 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i22 n GLY 92 N 5.00 -0.73 0.00 7.63 0.00 -1.26 -4.70 105.19 111.13 3i22 n GLY 92 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.36 3i22 n GLY 92 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i22 n TYR 93 N -3.17 0.00 -2.25 1.61 0.53 0.18 -4.51 117.16 109.55 3i22 n TYR 93 Ca 0.22 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.10 3i22 n TYR 93 Cb 1.48 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 39.79 3i22 n TYR 93 CO 0.00 0.00 0.00 2.89 -1.02 0.00 0.00 176.86 178.73 3i22 n ARG 94 N 0.00 3.32 0.00 -0.72 1.85 -1.26 -4.58 116.66 115.27 3i22 n ARG 94 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3i22 n ARG 94 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 3i22 n ARG 94 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i22 n ALA 95 N -3.00 0.00 0.09 2.89 0.00 -1.23 -4.65 120.51 114.61 3i22 n ALA 95 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3i22 n ALA 95 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3i22 n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i22 h ALA 96 N 0.00 0.54 -6.91 0.00 0.00 -1.88 -3.44 119.26 107.58 3i22 h ALA 96 Ca 0.00 -0.78 -0.45 0.00 0.00 0.00 0.00 54.91 53.68 3i22 h ALA 96 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3i22 h ALA 96 CO 0.00 1.05 -0.81 1.33 0.00 0.00 0.00 179.25 180.82 3i22 n VAL 97 N -3.53 -2.14 -1.99 0.00 0.24 -1.23 -4.82 118.33 104.87 3i22 n VAL 97 Ca -0.01 -0.34 -0.42 0.00 -2.04 0.00 0.00 64.34 61.52 3i22 n VAL 97 Cb 0.83 -1.84 0.00 0.00 -1.47 0.00 0.00 33.84 31.36 3i22 n VAL 97 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3i22 n LYS 98 N -3.67 3.19 0.00 7.34 5.02 -0.72 -4.80 118.16 124.52 3i22 n LYS 98 Ca -0.13 -3.00 0.00 0.00 -2.02 0.00 0.00 58.31 53.16 3i22 n LYS 98 Cb 0.46 -3.13 0.00 0.00 -0.02 0.00 0.00 35.03 32.34 3i22 n LYS 98 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i22 n GLY 99 N 3.52 2.33 0.00 0.72 0.00 -1.26 -2.75 105.19 107.74 3i22 n GLY 99 Ca 0.47 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.43 3i22 n GLY 99 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3i22 n ASN 100 N 4.60 3.96 -4.67 1.61 6.94 -1.26 -4.55 115.26 121.89 3i22 n ASN 100 Ca 0.00 -0.08 -0.43 0.00 -0.02 0.00 0.00 54.58 54.05 3i22 n ASN 100 Cb 0.00 0.96 -0.02 0.00 -2.36 0.00 0.00 39.78 38.36 3i22 n ASN 100 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3i22 s VAL 101 N -1.75 3.99 -0.21 3.53 1.01 -1.11 -3.43 120.40 122.42 3i22 s VAL 101 Ca 0.00 1.25 0.02 0.00 0.00 0.00 0.00 61.98 63.25 3i22 s VAL 101 Cb 0.00 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.61 3i22 s VAL 101 CO 0.00 -0.08 -0.16 -0.63 0.00 0.00 0.00 175.10 174.23 3i22 s ILE 102 N 3.28 2.14 0.01 2.22 1.01 -1.25 -1.76 121.20 126.85 3i22 s ILE 102 Ca 0.61 -1.19 0.03 0.00 0.00 0.00 0.00 60.65 60.10 3i22 s ILE 102 Cb -0.27 -2.04 -0.01 0.00 0.01 0.00 0.00 42.46 40.15 3i22 s ILE 102 CO 0.21 0.32 -0.10 0.20 0.00 0.00 0.00 174.94 175.57 3i22 s ASN 103 N 1.22 1.19 0.03 3.58 -0.87 -1.26 -3.49 114.94 115.33 3i22 s ASN 103 Ca -0.00 -0.25 0.02 0.00 -1.57 0.00 0.00 52.86 51.05 3i22 s ASN 103 Cb -0.16 -0.11 -0.02 0.00 -0.02 0.00 0.00 41.25 40.95 3i22 s ASN 103 CO -0.10 0.08 -0.06 -0.76 -2.57 0.00 0.00 177.10 173.69 3i22 s LEU 104 N -0.50 2.19 -0.71 0.60 1.43 -1.26 -3.51 118.68 116.92 3i22 s LEU 104 Ca 0.02 -0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 52.67 3i22 s LEU 104 Cb -0.05 -0.13 0.18 0.00 0.03 0.00 0.00 46.19 46.22 3i22 s LEU 104 CO -0.00 -0.15 0.55 -0.55 0.23 0.00 0.00 176.35 176.42 3i22 s SER 105 N -1.17 5.51 -0.49 2.29 0.15 -1.26 -3.87 113.70 114.86 3i22 s SER 105 Ca -0.08 -3.07 0.04 0.00 0.70 0.00 0.00 55.95 53.54 3i22 s SER 105 Cb -0.08 -1.89 0.42 0.00 -1.71 0.00 0.00 66.02 62.76 3i22 s SER 105 CO 0.00 -0.33 1.36 0.18 1.20 0.00 0.00 173.24 175.65 3i22 n LEU 106 N 3.22 5.50 0.00 3.45 4.77 -1.26 0.48 117.00 133.15 3i22 n LEU 106 Ca 0.12 -4.95 0.00 0.00 -0.03 0.00 0.00 56.01 51.14 3i22 n LEU 106 Cb 0.38 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 3i22 n LEU 106 CO 0.34 2.06 0.00 0.61 -1.33 0.00 0.00 177.39 179.07 3i22 n GLY 107 N -0.59 0.55 1.21 -0.72 0.00 -1.26 -4.96 105.19 99.41 3i22 n GLY 107 Ca 0.45 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 3i22 n GLY 107 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i22 n PHE 108 N -3.41 -0.06 -0.12 1.61 3.01 -1.26 -5.08 117.46 112.14 3i22 n PHE 108 Ca 0.00 -0.80 -0.26 0.00 1.01 0.00 0.00 57.45 57.39 3i22 n PHE 108 Cb 0.32 -0.12 -0.09 0.00 -0.01 0.00 0.00 39.48 39.58 3i22 n PHE 108 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3i22 n SER 109 N -1.34 1.76 -4.88 4.37 3.41 -1.26 -5.01 113.62 110.67 3i22 n SER 109 Ca -0.05 0.30 -0.29 0.00 -0.26 0.00 0.00 58.87 58.57 3i22 n SER 109 Cb 0.21 -0.73 -0.00 0.00 -0.26 0.00 0.00 64.21 63.42 3i22 n SER 109 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 3i22 s HIS 110 N -2.47 3.57 0.39 7.33 0.00 -1.26 -5.10 115.29 117.76 3i22 s HIS 110 Ca -0.35 1.08 0.01 0.00 -3.00 0.00 0.00 55.06 52.80 3i22 s HIS 110 Cb 0.13 -2.52 0.08 0.00 -4.00 0.00 0.00 32.58 26.27 3i22 s HIS 110 CO 0.44 -0.43 0.54 -0.35 -1.00 0.00 0.00 174.74 173.94 3i22 n PRO 111 N -2.29 0.34 0.27 -0.38 -0.04 -1.26 -4.91 135.00 126.73 3i22 n PRO 111 Ca 0.03 -1.59 -0.17 0.00 -0.04 0.00 0.00 63.50 61.73 3i22 n PRO 111 Cb 0.54 -0.32 -0.09 0.00 -0.04 0.00 0.00 33.50 33.60 3i22 n PRO 111 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3i22 h VAL 112 N -0.38 0.15 -0.31 0.52 2.07 -1.79 -3.47 116.25 113.04 3i22 h VAL 112 Ca -0.18 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.21 3i22 h VAL 112 Cb 0.70 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 3i22 h VAL 112 CO 0.21 0.00 -0.12 0.47 0.02 0.00 0.00 177.57 178.15 3i22 n ASP 113 N -5.52 -4.71 -4.17 0.57 8.00 -1.24 -4.98 116.55 104.49 3i22 n ASP 113 Ca -0.11 0.16 -0.35 0.00 0.71 0.00 0.00 54.79 55.20 3i22 n ASP 113 Cb 0.42 -2.78 -0.13 0.00 -0.02 0.00 0.00 41.12 38.60 3i22 n ASP 113 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3i22 s HIS 114 N -1.93 3.29 0.00 1.24 5.65 -1.23 -5.00 115.29 117.32 3i22 s HIS 114 Ca 0.00 -1.89 0.00 0.00 0.25 0.00 0.00 55.06 53.42 3i22 s HIS 114 Cb 0.00 -2.20 0.00 0.00 -1.18 0.00 0.00 32.58 29.20 3i22 s HIS 114 CO 0.00 -0.81 0.00 0.00 -0.65 0.00 0.00 174.74 173.28 3i22 n GLN 115 N 4.63 3.36 -5.07 2.88 0.00 -1.26 -3.87 117.38 118.04 3i22 n GLN 115 Ca -0.12 0.00 -0.28 0.00 0.00 0.00 0.00 57.00 56.60 3i22 n GLN 115 Cb 0.43 0.00 -0.16 0.00 0.00 0.00 0.00 30.24 30.51 3i22 n GLN 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3i22 s LEU 116 N 0.00 2.03 0.00 2.61 1.43 -1.22 -4.86 118.68 118.66 3i22 s LEU 116 Ca 0.00 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 3i22 s LEU 116 Cb 0.00 -1.14 0.00 0.00 0.03 0.00 0.00 46.19 45.08 3i22 s LEU 116 CO 0.00 0.25 0.00 -2.65 0.23 0.00 0.00 176.35 174.18 3i22 n PRO 117 N 2.66 2.88 -0.29 1.29 -0.02 -1.26 -4.77 135.00 135.49 3i22 n PRO 117 Ca -0.16 0.00 0.24 0.00 -2.02 0.00 0.00 63.50 61.56 3i22 n PRO 117 Cb 0.52 0.00 0.44 0.00 -0.02 0.00 0.00 33.50 34.45 3i22 n PRO 117 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i22 n ALA 118 N -3.00 0.77 0.00 3.55 0.00 -1.26 -4.12 120.51 116.46 3i22 n ALA 118 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 53.44 54.36 3i22 n ALA 118 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3i22 n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i22 n GLY 119 N -1.30 -0.62 2.83 0.00 0.00 -1.26 -5.09 105.19 99.75 3i22 n GLY 119 Ca 0.30 0.27 -0.29 0.00 0.00 0.00 0.00 46.02 46.29 3i22 n GLY 119 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i22 s ILE 120 N 0.00 2.22 0.84 -0.61 -1.16 -1.26 -4.19 121.20 117.04 3i22 s ILE 120 Ca 0.00 -3.38 -0.12 0.00 -0.51 0.00 0.00 60.65 56.64 3i22 s ILE 120 Cb 0.00 -2.51 0.09 0.00 0.61 0.00 0.00 42.46 40.65 3i22 s ILE 120 CO 0.00 -0.92 1.15 0.42 -2.81 0.00 0.00 174.94 172.78 3i22 s THR 121 N -0.46 2.27 0.14 4.00 -4.23 -0.60 -4.67 115.64 112.09 3i22 s THR 121 Ca 0.21 0.09 -0.24 0.00 -1.18 0.00 0.00 61.69 60.57 3i22 s THR 121 Cb -0.17 -2.96 0.07 0.00 1.34 0.00 0.00 72.50 70.78 3i22 s THR 121 CO -0.07 -0.11 0.67 0.00 -0.54 0.00 0.00 174.62 174.57 3i22 s ALA 122 N -3.39 -1.60 0.00 3.99 0.00 -1.26 -0.20 121.76 119.29 3i22 s ALA 122 Ca 0.62 0.49 0.00 0.00 0.00 0.00 0.00 51.96 53.07 3i22 s ALA 122 Cb -0.13 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.79 3i22 s ALA 122 CO 0.52 -0.79 0.00 -1.91 0.00 0.00 0.00 175.76 173.57 3i22 n GLU 123 N -0.37 0.00 -3.64 0.00 0.00 -0.91 -4.76 120.64 110.96 3i22 n GLU 123 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 57.16 56.67 3i22 n GLU 123 Cb 0.64 0.00 -0.05 0.00 0.00 0.00 0.00 31.44 32.02 3i22 n GLU 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i22 n PRO 125 N 0.96 0.00 0.00 0.00 -0.02 -1.26 -4.77 135.00 129.91 3i22 n PRO 125 Ca -0.09 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3i22 n PRO 125 Cb 0.52 -1.14 0.00 0.00 -0.02 0.00 0.00 33.50 32.86 3i22 n PRO 125 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3i22 n THR 126 N -1.20 0.00 -0.57 3.45 -1.04 -1.26 -5.02 114.28 108.65 3i22 n THR 126 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3i22 n THR 126 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3i22 n THR 126 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i22 n GLN 127 N 0.00 0.22 0.05 -2.82 3.00 -1.26 -4.68 117.38 111.89 3i22 n GLN 127 Ca 0.00 -0.49 0.11 0.00 -0.01 0.00 0.00 57.00 56.62 3i22 n GLN 127 Cb 0.00 -0.72 0.01 0.00 0.00 0.00 0.00 30.24 29.53 3i22 n GLN 127 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 3i22 n THR 128 N -0.08 0.30 -4.50 5.09 -2.24 -1.26 -3.94 114.28 107.65 3i22 n THR 128 Ca 0.00 -0.37 -0.24 0.00 -2.27 0.00 0.00 64.05 61.17 3i22 n THR 128 Cb 0.24 -0.02 -0.10 0.00 -2.10 0.00 0.00 70.33 68.34 3i22 n THR 128 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3i22 s GLU 129 N -3.29 1.76 -0.09 -0.78 -1.05 -1.26 0.14 118.70 114.14 3i22 s GLU 129 Ca 0.01 -2.01 -0.07 0.00 -0.15 0.00 0.00 54.97 52.75 3i22 s GLU 129 Cb 0.13 -0.94 0.03 0.00 -0.44 0.00 0.00 34.13 32.91 3i22 s GLU 129 CO 0.80 -0.24 0.24 0.42 0.95 0.00 0.00 175.26 177.43 3i22 s ILE 130 N -3.20 -0.02 -0.20 1.83 1.01 -0.90 -4.73 121.20 114.99 3i22 s ILE 130 Ca 0.32 0.06 -0.01 0.00 0.00 0.00 0.00 60.65 61.03 3i22 s ILE 130 Cb 0.07 -0.35 0.01 0.00 0.01 0.00 0.00 42.46 42.21 3i22 s ILE 130 CO 0.15 0.02 -0.13 0.68 0.00 0.00 0.00 174.94 175.66 3i22 s VAL 131 N 0.59 2.55 -0.20 2.92 -7.23 -1.26 -1.57 120.40 116.20 3i22 s VAL 131 Ca -0.04 -0.84 -0.03 0.00 -1.81 0.00 0.00 61.98 59.27 3i22 s VAL 131 Cb -0.05 -2.15 -0.01 0.00 0.56 0.00 0.00 36.38 34.73 3i22 s VAL 131 CO -0.03 0.45 -0.07 -0.76 -0.31 0.00 0.00 175.10 174.37 3i22 s LEU 132 N 1.34 2.81 -0.13 1.32 1.02 -1.26 -2.14 118.68 121.65 3i22 s LEU 132 Ca 0.04 -0.39 0.01 0.00 0.02 0.00 0.00 54.13 53.81 3i22 s LEU 132 Cb -0.14 -1.70 -0.01 0.00 0.02 0.00 0.00 46.19 44.37 3i22 s LEU 132 CO -0.09 0.03 -0.16 -0.54 0.02 0.00 0.00 176.35 175.61 3i22 s LYS 133 N 1.20 3.27 0.29 1.70 1.02 0.72 -4.27 119.74 123.66 3i22 s LYS 133 Ca 0.02 -0.74 -0.08 0.00 0.02 0.00 0.00 55.97 55.19 3i22 s LYS 133 Cb -0.14 -2.57 -0.00 0.00 -0.52 0.00 0.00 37.83 34.60 3i22 s LYS 133 CO -0.02 0.15 0.46 0.20 -0.92 0.00 0.00 175.35 175.22 3i22 s GLY 134 N 0.49 0.99 -0.48 -3.33 0.00 -1.26 -1.56 107.32 102.17 3i22 s GLY 134 Ca -0.11 -1.21 0.03 0.00 0.00 0.00 0.00 44.72 43.43 3i22 s GLY 134 CO 0.05 -0.83 1.66 0.00 0.00 0.00 0.00 173.10 173.98 3i22 n ALA 135 N -0.45 5.64 -3.15 3.20 0.00 -1.26 -3.29 120.51 121.20 3i22 n ALA 135 Ca -0.01 -3.55 0.06 0.00 0.00 0.00 0.00 53.44 49.94 3i22 n ALA 135 Cb 0.62 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 18.94 3i22 n ALA 135 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i22 s ASP 136 N -2.55 -0.11 0.55 0.00 3.68 -1.26 -4.78 116.67 112.20 3i22 s ASP 136 Ca 0.58 0.03 0.25 0.00 2.13 0.00 0.00 52.55 55.54 3i22 s ASP 136 Cb 0.46 1.08 1.48 0.00 -1.45 0.00 0.00 42.92 44.49 3i22 s ASP 136 CO 0.01 -0.02 2.07 0.50 0.13 0.00 0.00 175.17 177.86 3i22 h LYS 137 N 7.44 0.00 -0.01 4.34 3.64 -1.91 -1.43 116.57 128.64 3i22 h LYS 137 Ca -0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3i22 h LYS 137 Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3i22 h LYS 137 CO -0.19 0.00 0.00 0.94 -2.27 0.00 0.00 179.45 177.93 3i22 n GLN 138 N -4.17 0.53 0.00 1.90 7.27 -1.26 -2.99 117.38 118.67 3i22 n GLN 138 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.11 3i22 n GLN 138 Cb 0.38 -1.01 0.00 0.00 2.41 0.00 0.00 30.24 32.03 3i22 n GLN 138 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 3i22 n VAL 139 N -0.48 0.00 1.07 1.69 0.31 -0.54 -4.27 118.33 116.10 3i22 n VAL 139 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.42 3i22 n VAL 139 Cb 0.00 -0.34 0.53 0.00 -0.91 0.00 0.00 33.84 33.13 3i22 n VAL 139 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3i22 n ILE 140 N -1.55 0.20 -0.01 2.52 -5.35 -1.16 0.16 119.36 114.17 3i22 n ILE 140 Ca 0.00 0.05 0.04 0.00 -0.27 0.00 0.00 62.75 62.57 3i22 n ILE 140 Cb 0.22 -0.74 -0.09 0.00 -1.74 0.00 0.00 39.64 37.29 3i22 n ILE 140 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i22 n GLY 141 N 0.25 -0.54 0.09 3.28 0.00 -1.19 -4.02 105.19 103.06 3i22 n GLY 141 Ca 0.12 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 3i22 n GLY 141 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3i22 h GLN 142 N 0.00 -0.08 0.00 1.61 5.75 -1.02 -1.18 115.11 120.19 3i22 h GLN 142 Ca -0.05 0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.42 3i22 h GLN 142 Cb 0.74 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 29.30 3i22 h GLN 142 CO 0.00 0.47 -0.14 -0.39 -2.65 0.00 0.00 178.83 176.13 3i22 h VAL 143 N -0.90 0.37 -0.32 2.39 -1.51 -0.55 -1.13 116.25 114.59 3i22 h VAL 143 Ca -0.01 -0.84 -0.10 0.00 -1.23 0.00 0.00 66.70 64.53 3i22 h VAL 143 Cb 0.60 1.62 -0.01 0.00 -2.13 0.00 0.00 31.29 31.37 3i22 h VAL 143 CO 0.01 0.13 -0.21 0.00 -1.23 0.00 0.00 177.57 176.28 3i22 h ALA 144 N 1.86 1.04 0.00 5.19 0.00 -1.69 -2.55 119.26 123.11 3i22 h ALA 144 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3i22 h ALA 144 Cb 0.61 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3i22 h ALA 144 CO 0.02 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.85 3i22 n ALA 145 N -2.49 1.80 -0.10 0.00 0.00 -0.43 -0.06 120.51 119.24 3i22 n ALA 145 Ca 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 53.44 53.25 3i22 n ALA 145 Cb 0.40 -1.26 -0.14 0.00 0.00 0.00 0.00 19.45 18.45 3i22 n ALA 145 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i22 n ASP 146 N -1.40 0.84 -0.04 0.00 8.00 -0.99 -3.44 116.55 119.51 3i22 n ASP 146 Ca 0.06 0.01 -0.15 0.00 0.71 0.00 0.00 54.79 55.41 3i22 n ASP 146 Cb 0.16 0.34 -0.13 0.00 -0.02 0.00 0.00 41.12 41.47 3i22 n ASP 146 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3i22 h LEU 147 N 0.00 0.10 -1.66 0.64 3.38 -1.07 -3.18 115.31 113.53 3i22 h LEU 147 Ca -0.53 -0.96 0.07 0.00 0.09 0.00 0.00 57.88 56.55 3i22 h LEU 147 Cb 2.10 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 42.79 3i22 h LEU 147 CO 0.00 1.06 0.35 0.08 0.09 0.00 0.00 178.44 180.02 3i22 h ARG 148 N -0.84 0.40 0.00 1.13 0.11 -0.69 -3.40 114.38 111.09 3i22 h ARG 148 Ca -0.03 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.03 3i22 h ARG 148 Cb 1.11 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.10 3i22 h ARG 148 CO 0.03 0.26 0.00 0.00 0.10 0.00 0.00 179.97 180.36 3i22 n ALA 149 N -2.51 0.00 -0.63 0.08 0.00 -1.20 -2.59 120.51 113.66 3i22 n ALA 149 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3i22 n ALA 149 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 3i22 n ALA 149 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i22 n TYR 150 N 0.00 0.00 0.00 0.00 0.53 -1.24 -2.77 117.16 113.67 3i22 n TYR 150 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 3i22 n TYR 150 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.31 3i22 n TYR 150 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71 3i22 n ARG 151 N 0.00 0.00 -1.22 -0.72 3.00 -1.26 -5.10 116.66 111.35 3i22 n ARG 151 Ca 0.00 0.27 0.00 0.00 -0.00 0.00 0.00 57.85 58.12 3i22 n ARG 151 Cb 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 32.46 31.72 3i22 n ARG 151 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 3i22 n ARG 152 N -1.53 -3.46 -1.42 -0.14 3.00 -1.07 -4.79 116.66 107.25 3i22 n ARG 152 Ca 0.00 2.53 -0.50 0.00 -0.00 0.00 0.00 57.85 59.87 3i22 n ARG 152 Cb 0.00 -2.81 -0.08 0.00 0.00 0.00 0.00 32.46 29.57 3i22 n ARG 152 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 3i22 n PRO 153 N -0.25 0.79 -1.67 -0.14 -0.02 -1.26 -4.57 135.00 127.88 3i22 n PRO 153 Ca 0.00 0.19 -0.43 0.00 -2.02 0.00 0.00 63.50 61.24 3i22 n PRO 153 Cb 0.00 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.17 3i22 n PRO 153 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3i22 n GLU 154 N 8.16 2.73 0.00 -0.52 -0.58 -1.26 -4.77 120.64 124.40 3i22 n GLU 154 Ca 0.46 1.00 0.00 0.00 -0.42 0.00 0.00 57.16 58.20 3i22 n GLU 154 Cb 0.19 -2.93 0.00 0.00 -0.57 0.00 0.00 31.44 28.13 3i22 n GLU 154 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3i22 n PRO 155 N 7.08 0.00 -0.12 3.49 -0.04 -1.26 0.23 135.00 144.38 3i22 n PRO 155 Ca 0.20 0.21 -0.24 0.00 -0.04 0.00 0.00 63.50 63.62 3i22 n PRO 155 Cb 0.38 -1.66 -0.11 0.00 -0.04 0.00 0.00 33.50 32.07 3i22 n PRO 155 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3i22 n TYR 156 N -1.15 0.60 0.34 0.54 4.02 -1.26 -4.34 117.16 115.91 3i22 n TYR 156 Ca 0.00 0.26 0.04 0.00 -0.01 0.00 0.00 57.90 58.19 3i22 n TYR 156 Cb 0.16 -1.04 -0.05 0.00 -0.02 0.00 0.00 39.34 38.39 3i22 n TYR 156 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3i22 n LYS 157 N -4.37 3.62 -0.97 -0.72 5.02 -0.84 -4.83 118.16 115.08 3i22 n LYS 157 Ca -0.40 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 55.88 3i22 n LYS 157 Cb 0.75 -0.94 0.00 0.00 -0.02 0.00 0.00 35.03 34.82 3i22 n LYS 157 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i22 n GLY 158 N 1.32 0.26 3.46 0.72 0.00 0.14 -4.88 105.19 106.21 3i22 n GLY 158 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3i22 n GLY 158 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i22 n LYS 159 N -1.02 1.42 0.00 1.61 4.81 -1.26 -4.54 118.16 119.18 3i22 n LYS 159 Ca 0.00 -2.21 0.00 0.00 -0.87 0.00 0.00 58.31 55.23 3i22 n LYS 159 Cb 0.23 -3.49 0.00 0.00 0.02 0.00 0.00 35.03 31.79 3i22 n LYS 159 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i22 n GLY 160 N 5.46 3.87 3.09 3.14 0.00 -1.21 -4.14 105.19 115.41 3i22 n GLY 160 Ca 0.46 -0.79 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 3i22 n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i22 s VAL 161 N -1.20 4.13 0.00 1.61 1.01 -1.26 -2.07 120.40 122.61 3i22 s VAL 161 Ca 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 61.98 58.26 3i22 s VAL 161 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.79 3i22 s VAL 161 CO 0.00 -1.04 0.00 -2.11 0.00 0.00 0.00 175.10 171.95 3i22 n ARG 162 N 2.53 1.56 -3.15 2.72 0.00 -0.99 -4.47 116.66 114.87 3i22 n ARG 162 Ca 0.19 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 58.08 3i22 n ARG 162 Cb 0.37 0.00 -0.01 0.00 -0.00 0.00 0.00 32.46 32.82 3i22 n ARG 162 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.63 179.15 3i22 s TYR 163 N 0.62 -1.10 0.00 2.89 -0.00 -1.25 -3.01 117.35 115.49 3i22 s TYR 163 Ca 0.00 0.98 0.00 0.00 -0.00 0.00 0.00 57.07 58.05 3i22 s TYR 163 Cb 0.00 0.31 0.00 0.00 -0.00 0.00 0.00 41.96 42.27 3i22 s TYR 163 CO 0.00 -0.62 0.00 0.00 -0.00 0.00 0.00 175.55 174.93 3i22 n ALA 164 N 5.39 -0.41 0.00 9.51 0.00 -1.26 -2.96 120.51 130.78 3i22 n ALA 164 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i22 n ALA 164 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3i22 n ALA 164 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i22 n ASP 165 N 0.30 0.00 -4.31 0.00 2.03 -1.26 -5.05 116.55 108.26 3i22 n ASP 165 Ca 0.00 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.98 3i22 n ASP 165 Cb 0.00 0.00 0.13 0.00 -0.72 0.00 0.00 41.12 40.53 3i22 n ASP 165 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 3i22 n GLU 166 N 0.00 -0.76 -0.06 -0.67 0.00 -1.16 -5.01 120.64 112.99 3i22 n GLU 166 Ca 0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 57.16 56.91 3i22 n GLU 166 Cb 0.00 -1.69 -0.02 0.00 0.00 0.00 0.00 31.44 29.73 3i22 n GLU 166 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 3i22 n VAL 167 N -3.83 0.96 -3.57 3.84 0.24 -1.26 -5.03 118.33 109.68 3i22 n VAL 167 Ca 0.03 0.27 -0.20 0.00 -2.04 0.00 0.00 64.34 62.40 3i22 n VAL 167 Cb 0.58 -2.03 0.05 0.00 -1.47 0.00 0.00 33.84 30.98 3i22 n VAL 167 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3i22 n VAL 168 N -3.74 -5.74 0.00 3.34 0.31 -1.26 -4.94 118.33 106.30 3i22 n VAL 168 Ca -0.09 -0.69 0.00 0.00 -0.01 0.00 0.00 64.34 63.55 3i22 n VAL 168 Cb 0.32 -4.57 0.00 0.00 -0.91 0.00 0.00 33.84 28.69 3i22 n VAL 168 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i22 n ARG 169 N -4.06 0.00 -0.29 5.55 1.74 -1.26 -4.98 116.66 113.35 3i22 n ARG 169 Ca -0.24 0.37 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 3i22 n ARG 169 Cb 0.66 -1.11 0.00 0.00 -1.02 0.00 0.00 32.46 30.98 3i22 n ARG 169 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3i22 n THR 170 N -1.16 -1.76 -4.15 0.55 -1.04 -1.26 -5.09 114.28 100.37 3i22 n THR 170 Ca 0.00 0.42 -0.27 0.00 -2.04 0.00 0.00 64.05 62.16 3i22 n THR 170 Cb 0.00 -1.30 -0.02 0.00 -1.82 0.00 0.00 70.33 67.19 3i22 n THR 170 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3i22 n LYS 171 N -0.41 0.75 -2.53 -2.82 4.76 -1.26 -5.12 118.16 111.53 3i22 n LYS 171 Ca 0.00 -3.35 -0.25 0.00 -2.87 0.00 0.00 58.31 51.83 3i22 n LYS 171 Cb 0.00 0.54 0.03 0.00 -1.84 0.00 0.00 35.03 33.76 3i22 n LYS 171 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3i22 s GLU 172 N -4.01 2.87 -0.24 1.97 2.02 -1.26 -4.91 118.70 115.14 3i22 s GLU 172 Ca 0.20 -0.19 -0.29 0.00 0.02 0.00 0.00 54.97 54.71 3i22 s GLU 172 Cb -0.02 -2.35 -0.02 0.00 0.10 0.00 0.00 34.13 31.85 3i22 s GLU 172 CO 0.13 -0.65 1.61 0.00 0.02 0.00 0.00 175.26 176.37 3i22 s ALA 173 N -2.89 3.23 -0.43 5.21 0.00 -1.26 -4.85 121.76 120.76 3i22 s ALA 173 Ca 0.53 0.41 -0.38 0.00 0.00 0.00 0.00 51.96 52.52 3i22 s ALA 173 Cb -0.10 -3.87 -0.16 0.00 0.00 0.00 0.00 23.12 18.98 3i22 s ALA 173 CO 0.43 -2.03 1.79 1.17 0.00 0.00 0.00 175.76 177.12 3i22 n LYS 174 N 7.74 0.00 -1.71 0.00 4.81 -1.26 -4.81 118.16 122.94 3i22 n LYS 174 Ca 0.19 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.20 3i22 n LYS 174 Cb 0.46 -1.29 -0.03 0.00 0.02 0.00 0.00 35.03 34.18 3i22 n LYS 174 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3i22 s LYS 175 N 4.85 3.65 0.00 1.64 2.36 -1.26 -5.34 119.74 125.64 3i22 s LYS 175 Ca 1.02 2.22 0.27 0.00 -2.55 0.00 0.00 55.97 56.93 3i22 s LYS 175 Cb -1.29 -4.24 1.60 0.00 -1.05 0.00 0.00 37.83 32.85 3i22 s LYS 175 CO 0.59 -1.51 1.95 0.36 1.55 0.00 0.00 175.35 178.29