#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i22 n LYS 2 N 0.00 3.67 -0.32 0.00 5.02 -1.26 -5.18 118.16 120.10 3i22 n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3i22 n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3i22 n LYS 2 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i22 n LYS 3 N 0.00 1.58 -3.59 1.97 5.02 -1.26 -5.15 118.16 116.74 3i22 n LYS 3 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 3i22 n LYS 3 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 3i22 n LYS 3 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3i22 s VAL 4 N 0.90 0.00 -0.04 -0.18 0.11 -1.26 -5.07 120.40 114.86 3i22 s VAL 4 Ca 0.00 -0.16 0.08 0.00 -2.93 0.00 0.00 61.98 58.97 3i22 s VAL 4 Cb 0.00 -1.32 0.14 0.00 -1.53 0.00 0.00 36.38 33.68 3i22 s VAL 4 CO 0.00 0.00 1.07 0.00 -3.33 0.00 0.00 175.10 172.84 3i22 n GLN 5 N -0.29 0.37 -3.20 1.54 6.02 -1.26 -5.03 117.38 115.54 3i22 n GLN 5 Ca -0.06 -1.61 -0.15 0.00 -0.01 0.00 0.00 57.00 55.17 3i22 n GLN 5 Cb 0.61 -0.72 0.07 0.00 1.02 0.00 0.00 30.24 31.22 3i22 n GLN 5 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i22 n ALA 6 N -0.31 -1.50 -2.14 -1.58 0.00 -1.26 -5.03 120.51 108.69 3i22 n ALA 6 Ca 0.05 0.03 -0.18 0.00 0.00 0.00 0.00 53.44 53.35 3i22 n ALA 6 Cb 0.75 -2.59 0.01 0.00 0.00 0.00 0.00 19.45 17.61 3i22 n ALA 6 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3i22 s TYR 7 N -3.28 2.90 0.44 0.00 -0.85 -1.26 -5.13 117.35 110.17 3i22 s TYR 7 Ca 0.10 -0.34 0.02 0.00 -0.52 0.00 0.00 57.07 56.33 3i22 s TYR 7 Cb -0.05 -2.28 0.08 0.00 0.38 0.00 0.00 41.96 40.10 3i22 s TYR 7 CO 0.59 -0.32 0.61 1.33 -1.52 0.00 0.00 175.55 176.24 3i22 n VAL 8 N -1.81 0.00 0.00 -3.49 0.24 -1.26 -5.11 118.33 106.90 3i22 n VAL 8 Ca 0.06 -1.08 0.00 0.00 -2.04 0.00 0.00 64.34 61.28 3i22 n VAL 8 Cb 0.59 -0.96 0.00 0.00 -1.47 0.00 0.00 33.84 32.00 3i22 n VAL 8 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 3i22 n LYS 9 N -2.08 0.00 0.00 7.34 2.85 -1.26 -4.87 118.16 120.13 3i22 n LYS 9 Ca 0.11 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.37 3i22 n LYS 9 Cb 0.38 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.76 3i22 n LYS 9 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3i22 n LEU 10 N 0.00 0.00 -3.33 -5.58 4.77 -1.26 -5.08 117.00 106.51 3i22 n LEU 10 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 3i22 n LEU 10 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3i22 n LEU 10 CO 0.00 0.00 0.58 0.00 -1.33 0.00 0.00 177.39 176.64 3i22 s GLN 11 N 2.77 0.28 0.15 3.23 -2.07 -1.26 -4.69 119.66 118.07 3i22 s GLN 11 Ca 0.00 0.66 -0.08 0.00 -1.82 0.00 0.00 55.36 54.12 3i22 s GLN 11 Cb 0.00 0.39 -0.01 0.00 -1.09 0.00 0.00 33.01 32.30 3i22 s GLN 11 CO 0.00 -0.15 0.24 0.08 -1.32 0.00 0.00 175.29 174.14 3i22 s VAL 12 N 2.57 0.08 -0.08 3.63 1.01 -1.26 -5.11 120.40 121.23 3i22 s VAL 12 Ca -0.01 -1.43 -0.37 0.00 0.00 0.00 0.00 61.98 60.17 3i22 s VAL 12 Cb -0.07 -1.80 -0.15 0.00 0.00 0.00 0.00 36.38 34.36 3i22 s VAL 12 CO -0.16 -0.37 1.66 0.00 0.00 0.00 0.00 175.10 176.22 3i22 n ALA 13 N -0.18 0.10 0.55 5.51 0.00 -1.26 -4.67 120.51 120.56 3i22 n ALA 13 Ca -0.08 0.40 0.04 0.00 0.00 0.00 0.00 53.44 53.81 3i22 n ALA 13 Cb 0.63 -2.27 0.26 0.00 0.00 0.00 0.00 19.45 18.07 3i22 n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i22 n ALA 14 N 4.71 1.82 -0.02 0.00 0.00 -1.26 -2.30 120.51 123.45 3i22 n ALA 14 Ca 0.22 -0.05 0.03 0.00 0.00 0.00 0.00 53.44 53.64 3i22 n ALA 14 Cb 0.21 -1.14 -0.10 0.00 0.00 0.00 0.00 19.45 18.41 3i22 n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i22 n GLY 15 N -0.45 -0.63 3.40 0.00 0.00 -1.26 -4.78 105.19 101.47 3i22 n GLY 15 Ca 0.07 -0.30 -0.45 0.00 0.00 0.00 0.00 46.02 45.34 3i22 n GLY 15 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3i22 s MET 16 N -2.78 4.06 -0.13 1.61 0.00 -0.97 -4.77 119.30 116.32 3i22 s MET 16 Ca -0.05 -2.79 -0.09 0.00 0.00 0.00 0.00 55.69 52.76 3i22 s MET 16 Cb 0.07 -4.78 -0.06 0.00 0.00 0.00 0.00 34.83 30.07 3i22 s MET 16 CO 0.56 -1.50 -0.21 0.00 0.00 0.00 0.00 175.02 173.87 3i22 n ALA 17 N 4.29 1.87 -0.33 4.11 0.00 -1.26 -4.67 120.51 124.52 3i22 n ALA 17 Ca 0.28 -0.61 -0.02 0.00 0.00 0.00 0.00 53.44 53.10 3i22 n ALA 17 Cb 0.42 0.23 0.04 0.00 0.00 0.00 0.00 19.45 20.14 3i22 n ALA 17 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 3i22 h ASN 18 N -0.60 -1.31 -0.78 0.00 -1.24 -2.00 -3.41 115.58 106.24 3i22 h ASN 18 Ca -0.29 0.28 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3i22 h ASN 18 Cb 1.12 0.69 0.00 0.00 0.73 0.00 0.00 38.32 40.86 3i22 h ASN 18 CO -0.17 -0.29 0.00 -2.65 -1.29 0.00 0.00 177.43 173.02 3i22 n PRO 19 N -5.47 -1.15 -0.02 6.67 -0.02 -1.26 -4.99 135.00 128.76 3i22 n PRO 19 Ca 0.09 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.36 3i22 n PRO 19 Cb 0.39 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.74 3i22 n PRO 19 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3i22 n SER 20 N -2.34 2.10 -0.33 2.55 2.88 -1.26 -4.44 113.62 112.78 3i22 n SER 20 Ca 0.00 0.18 0.09 0.00 -1.33 0.00 0.00 58.87 57.81 3i22 n SER 20 Cb 0.00 -0.82 0.25 0.00 -0.75 0.00 0.00 64.21 62.89 3i22 n SER 20 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3i22 h PRO 21 N -0.00 0.74 0.00 -1.46 0.11 -1.94 -3.39 132.00 126.06 3i22 h PRO 21 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3i22 h PRO 21 Cb 1.98 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.92 3i22 h PRO 21 CO 0.05 0.49 0.00 -0.35 -0.21 0.00 0.00 178.00 177.98 3i22 n PRO 22 N -4.77 0.00 0.00 1.05 -0.04 -1.26 -4.87 135.00 125.11 3i22 n PRO 22 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 3i22 n PRO 22 Cb 0.44 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 3i22 n PRO 22 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3i22 n VAL 23 N 0.00 0.00 0.00 0.52 0.24 -1.26 -4.38 118.33 113.45 3i22 n VAL 23 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3i22 n VAL 23 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3i22 n VAL 23 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i22 n GLY 24 N 3.06 1.22 0.00 7.63 0.00 -1.26 -3.02 105.19 112.82 3i22 n GLY 24 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.38 3i22 n GLY 24 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i22 n PRO 25 N 0.00 0.00 -0.03 1.61 -0.02 -1.26 0.31 135.00 135.61 3i22 n PRO 25 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.46 3i22 n PRO 25 Cb 0.00 -1.46 -0.01 0.00 -0.02 0.00 0.00 33.50 32.01 3i22 n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i22 n ALA 26 N -0.95 0.24 0.15 3.55 0.00 -1.17 -4.53 120.51 117.80 3i22 n ALA 26 Ca 0.00 -0.35 0.05 0.00 0.00 0.00 0.00 53.44 53.14 3i22 n ALA 26 Cb 0.00 0.01 0.22 0.00 0.00 0.00 0.00 19.45 19.68 3i22 n ALA 26 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3i22 n LEU 27 N -3.14 3.27 0.00 0.00 -0.00 -1.17 -4.82 117.00 111.15 3i22 n LEU 27 Ca -0.04 -1.65 0.00 0.00 -0.00 0.00 0.00 56.01 54.32 3i22 n LEU 27 Cb 0.14 -0.49 0.00 0.00 -0.00 0.00 0.00 43.42 43.07 3i22 n LEU 27 CO 0.06 0.52 0.00 0.61 -0.00 0.00 0.00 177.39 178.58 3i22 n GLY 28 N 0.70 -0.60 0.00 1.47 0.00 0.15 -4.56 105.19 102.35 3i22 n GLY 28 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3i22 n GLY 28 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i22 n GLN 29 N 0.00 0.00 0.00 1.61 1.13 -1.26 -3.68 117.38 115.18 3i22 n GLN 29 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3i22 n GLN 29 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 3i22 n GLN 29 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i22 n GLN 30 N 0.00 0.00 0.00 -1.09 -0.00 -1.26 -5.05 117.38 109.98 3i22 n GLN 30 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 3i22 n GLN 30 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.24 3i22 n GLN 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i22 n GLY 31 N 0.00 -1.73 2.78 2.61 0.00 -1.24 -5.11 105.19 102.49 3i22 n GLY 31 Ca 0.00 0.76 -0.18 0.00 0.00 0.00 0.00 46.02 46.60 3i22 n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i22 s VAL 32 N 0.00 0.14 -0.13 1.61 1.01 -1.26 -4.57 120.40 117.19 3i22 s VAL 32 Ca 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.14 3i22 s VAL 32 Cb 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 3i22 s VAL 32 CO 0.00 0.17 -0.11 0.20 0.00 0.00 0.00 175.10 175.36 3i22 s ASN 33 N 1.41 4.23 -0.45 3.32 0.01 -1.26 -4.91 114.94 117.28 3i22 s ASN 33 Ca -0.04 -0.26 -0.25 0.00 -0.71 0.00 0.00 52.86 51.59 3i22 s ASN 33 Cb -0.13 -1.62 0.03 0.00 0.41 0.00 0.00 41.25 39.93 3i22 s ASN 33 CO -0.03 0.18 0.89 -0.63 -1.51 0.00 0.00 177.10 176.00 3i22 s ILE 34 N 0.29 4.52 0.00 0.60 -1.09 -1.26 -4.49 121.20 119.77 3i22 s ILE 34 Ca -0.08 0.69 0.00 0.00 -2.23 0.00 0.00 60.65 59.03 3i22 s ILE 34 Cb -0.15 -4.40 0.00 0.00 -1.58 0.00 0.00 42.46 36.33 3i22 s ILE 34 CO 0.05 -0.79 0.00 0.80 -1.23 0.00 0.00 174.94 173.77 3i22 n MET 35 N 7.04 0.00 0.00 2.79 1.56 -1.26 -4.89 117.12 122.36 3i22 n MET 35 Ca 0.05 0.00 0.08 0.00 -0.27 0.00 0.00 57.70 57.57 3i22 n MET 35 Cb 0.48 0.00 0.49 0.00 2.15 0.00 0.00 33.22 36.34 3i22 n MET 35 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 3i22 n GLU 36 N 0.00 0.77 0.21 2.12 0.00 -1.26 -1.89 120.64 120.59 3i22 n GLU 36 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 57.16 57.30 3i22 n GLU 36 Cb 0.00 -1.34 0.37 0.00 0.00 0.00 0.00 31.44 30.48 3i22 n GLU 36 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 3i22 h PHE 37 N 0.00 0.00 0.00 -1.84 3.57 -1.90 -2.66 116.94 114.11 3i22 h PHE 37 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3i22 h PHE 37 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 3i22 h PHE 37 CO 0.00 0.00 0.00 0.00 -2.23 0.00 0.00 178.31 176.08 3i22 n LYS 39 N 0.00 0.00 0.00 0.00 5.02 -0.79 -4.27 118.16 118.12 3i22 n LYS 39 Ca 0.00 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.37 3i22 n LYS 39 Cb 0.18 0.00 0.36 0.00 -0.02 0.00 0.00 35.03 35.54 3i22 n LYS 39 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i22 n ALA 40 N -1.81 1.76 0.29 7.82 0.00 -1.25 -1.98 120.51 125.33 3i22 n ALA 40 Ca 0.00 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.49 3i22 n ALA 40 Cb 0.00 -1.26 -0.05 0.00 0.00 0.00 0.00 19.45 18.14 3i22 n ALA 40 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i22 n PHE 41 N -1.46 0.35 1.04 0.00 7.35 -1.00 -3.59 117.46 120.15 3i22 n PHE 41 Ca 0.05 0.10 0.13 0.00 -0.76 0.00 0.00 57.45 56.97 3i22 n PHE 41 Cb 0.18 -0.57 0.41 0.00 0.35 0.00 0.00 39.48 39.85 3i22 n PHE 41 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 3i22 n ASN 42 N -2.22 0.34 0.13 -2.13 2.85 -0.84 -2.12 115.26 111.27 3i22 n ASN 42 Ca -0.00 -0.03 0.05 0.00 -0.11 0.00 0.00 54.58 54.49 3i22 n ASN 42 Cb 0.50 -0.04 0.03 0.00 1.24 0.00 0.00 39.78 41.51 3i22 n ASN 42 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3i22 h ALA 43 N 3.07 0.72 0.00 5.20 0.00 -1.61 -2.48 119.26 124.16 3i22 h ALA 43 Ca 0.00 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.40 3i22 h ALA 43 Cb 0.49 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3i22 h ALA 43 CO 0.00 0.47 -0.65 -0.22 0.00 0.00 0.00 179.25 178.86 3i22 h LYS 44 N 0.00 0.00 0.00 0.00 3.11 -1.57 -2.19 116.57 115.92 3i22 h LYS 44 Ca -0.03 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 57.75 3i22 h LYS 44 Cb 1.30 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.52 3i22 h LYS 44 CO 0.04 0.65 -0.27 1.15 -2.81 0.00 0.00 179.45 178.21 3i22 h THR 45 N 0.00 0.84 0.00 1.00 2.02 -1.29 -2.85 112.91 112.63 3i22 h THR 45 Ca -0.01 -1.07 -0.19 0.00 0.77 0.00 0.00 66.41 65.91 3i22 h THR 45 Cb 1.38 1.64 -0.03 0.00 -1.74 0.00 0.00 68.15 69.40 3i22 h THR 45 CO 0.08 0.26 -1.08 0.44 0.37 0.00 0.00 175.52 175.60 3i22 h ASP 46 N 0.00 0.00 -0.72 4.18 3.32 -1.21 -3.14 116.42 118.85 3i22 h ASP 46 Ca -0.00 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.78 3i22 h ASP 46 Cb 0.62 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.01 3i22 h ASP 46 CO 0.04 0.79 0.34 -1.20 -1.72 0.00 0.00 179.24 177.49 3i22 n SER 47 N -3.17 4.25 0.00 6.45 7.64 -0.85 -4.37 113.62 123.58 3i22 n SER 47 Ca -0.04 -3.17 0.00 0.00 1.01 0.00 0.00 58.87 56.67 3i22 n SER 47 Cb 0.89 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 3i22 n SER 47 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 3i22 n ILE 48 N -0.34 0.00 -3.65 0.44 -5.35 -1.12 -5.01 119.36 104.32 3i22 n ILE 48 Ca 0.41 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.77 3i22 n ILE 48 Cb 1.35 -0.61 -0.08 0.00 -1.74 0.00 0.00 39.64 38.56 3i22 n ILE 48 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 3i22 s GLU 49 N -1.88 0.71 -0.68 6.28 -1.05 -1.19 -5.10 118.70 115.79 3i22 s GLU 49 Ca 0.00 0.99 0.05 0.00 -0.15 0.00 0.00 54.97 55.86 3i22 s GLU 49 Cb 0.00 0.27 0.20 0.00 -0.44 0.00 0.00 34.13 34.16 3i22 s GLU 49 CO 0.00 -0.11 0.58 1.63 0.95 0.00 0.00 175.26 178.30 3i22 n LYS 50 N 3.32 2.03 0.00 -4.83 4.76 -1.26 -4.51 118.16 117.67 3i22 n LYS 50 Ca -0.16 -4.52 0.00 0.00 -2.87 0.00 0.00 58.31 50.76 3i22 n LYS 50 Cb 0.56 -2.26 0.00 0.00 -1.84 0.00 0.00 35.03 31.50 3i22 n LYS 50 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i22 n GLY 51 N 1.60 -1.11 0.00 0.72 0.00 -1.26 -5.16 105.19 99.97 3i22 n GLY 51 Ca 0.23 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.59 3i22 n GLY 51 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3i22 n LEU 52 N 0.00 0.00 -4.53 0.99 7.94 -1.26 -5.14 117.00 114.99 3i22 n LEU 52 Ca 0.00 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.50 3i22 n LEU 52 Cb 0.00 0.00 0.03 0.00 0.53 0.00 0.00 43.42 43.98 3i22 n LEU 52 CO 0.00 0.00 0.30 -2.65 -1.11 0.00 0.00 177.39 173.93 3i22 n PRO 53 N -0.88 0.82 -4.98 1.96 -0.02 -1.26 -4.97 135.00 125.67 3i22 n PRO 53 Ca 0.00 0.31 -0.32 0.00 -2.02 0.00 0.00 63.50 61.46 3i22 n PRO 53 Cb 0.00 -1.85 -0.17 0.00 -0.02 0.00 0.00 33.50 31.47 3i22 n PRO 53 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3i22 s ILE 54 N -1.51 2.09 1.19 4.25 1.09 -1.26 -4.70 121.20 122.34 3i22 s ILE 54 Ca 0.68 -0.99 -0.14 0.00 -1.10 0.00 0.00 60.65 59.10 3i22 s ILE 54 Cb -0.50 -1.81 0.28 0.00 -1.06 0.00 0.00 42.46 39.37 3i22 s ILE 54 CO 0.54 0.55 0.89 -0.81 -0.10 0.00 0.00 174.94 176.02 3i22 n PRO 55 N 3.75 -2.51 -3.92 2.79 -0.04 -1.26 -4.87 135.00 128.94 3i22 n PRO 55 Ca -0.19 -0.70 -0.10 0.00 -0.04 0.00 0.00 63.50 62.46 3i22 n PRO 55 Cb 0.52 -2.10 -0.12 0.00 -0.04 0.00 0.00 33.50 31.76 3i22 n PRO 55 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3i22 s VAL 56 N -2.37 0.07 0.00 0.52 0.11 -1.26 -4.89 120.40 112.57 3i22 s VAL 56 Ca 0.67 -0.57 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 3i22 s VAL 56 Cb -0.24 -0.21 -0.00 0.00 -1.53 0.00 0.00 36.38 34.39 3i22 s VAL 56 CO 0.66 -0.31 0.00 0.52 -3.33 0.00 0.00 175.10 172.64 3i22 n VAL 57 N 2.08 0.00 0.00 2.04 0.31 -1.26 -4.58 118.33 116.92 3i22 n VAL 57 Ca -0.20 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 3i22 n VAL 57 Cb 0.57 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 3i22 n VAL 57 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3i22 n ILE 58 N -0.00 0.00 -3.72 2.52 5.41 -1.26 -4.88 119.36 117.43 3i22 n ILE 58 Ca -0.00 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.61 3i22 n ILE 58 Cb 0.00 0.00 -0.14 0.00 -0.71 0.00 0.00 39.64 38.79 3i22 n ILE 58 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 3i22 s THR 59 N -0.06 -0.13 0.07 1.39 2.01 -1.26 -4.82 115.64 112.84 3i22 s THR 59 Ca 0.00 0.22 -0.31 0.00 0.31 0.00 0.00 61.69 61.91 3i22 s THR 59 Cb 0.00 -0.31 -0.09 0.00 0.01 0.00 0.00 72.50 72.11 3i22 s THR 59 CO 0.00 0.09 1.76 -0.69 -0.69 0.00 0.00 174.62 175.09 3i22 s VAL 60 N 1.57 2.90 0.00 3.82 1.01 -1.26 -4.18 120.40 124.26 3i22 s VAL 60 Ca -0.06 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.21 3i22 s VAL 60 Cb -0.11 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.08 3i22 s VAL 60 CO -0.07 -0.01 0.00 -1.22 0.00 0.00 0.00 175.10 173.80 3i22 n TYR 61 N 6.02 0.00 0.00 5.22 4.01 -1.21 -5.08 117.16 126.12 3i22 n TYR 61 Ca 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 3i22 n TYR 61 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 3i22 n TYR 61 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3i22 n ALA 62 N -3.00 0.00 -3.99 -0.72 0.00 -1.26 -4.95 120.51 106.59 3i22 n ALA 62 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 3i22 n ALA 62 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 3i22 n ALA 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i22 s ASP 63 N -1.28 4.74 -0.57 0.00 1.01 -1.26 -4.82 116.67 114.49 3i22 s ASP 63 Ca 0.00 -1.90 -0.04 0.00 0.71 0.00 0.00 52.55 51.32 3i22 s ASP 63 Cb 0.00 -1.63 0.01 0.00 1.01 0.00 0.00 42.92 42.30 3i22 s ASP 63 CO 0.00 -0.34 0.59 0.54 0.21 0.00 0.00 175.17 176.17 3i22 n ARG 64 N 4.35 -1.42 -3.40 8.23 1.74 -1.26 -5.07 116.66 119.84 3i22 n ARG 64 Ca -0.02 1.53 0.02 0.00 -0.77 0.00 0.00 57.85 58.61 3i22 n ARG 64 Cb 0.42 -5.20 -0.03 0.00 -1.02 0.00 0.00 32.46 26.62 3i22 n ARG 64 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3i22 s SER 65 N -2.74 -0.78 -0.07 0.55 0.15 -1.26 -5.11 113.70 104.44 3i22 s SER 65 Ca 0.06 0.91 0.01 0.00 0.70 0.00 0.00 55.95 57.63 3i22 s SER 65 Cb -0.02 1.82 0.02 0.00 -1.71 0.00 0.00 66.02 66.14 3i22 s SER 65 CO 0.66 -0.15 -0.08 -0.36 1.20 0.00 0.00 173.24 174.51 3i22 s PHE 66 N 2.66 1.21 -0.12 3.44 0.40 -1.26 -3.32 117.98 120.98 3i22 s PHE 66 Ca -0.00 -0.47 -0.06 0.00 -0.60 0.00 0.00 56.93 55.80 3i22 s PHE 66 Cb -0.09 -0.98 -0.04 0.00 0.51 0.00 0.00 43.02 42.42 3i22 s PHE 66 CO -0.17 -0.32 0.09 0.99 0.70 0.00 0.00 175.22 176.50 3i22 s THR 67 N 1.13 5.06 0.51 0.64 2.01 -1.26 -4.82 115.64 118.91 3i22 s THR 67 Ca -0.07 0.04 0.06 0.00 0.31 0.00 0.00 61.69 62.03 3i22 s THR 67 Cb -0.14 -3.20 0.06 0.00 0.01 0.00 0.00 72.50 69.22 3i22 s THR 67 CO -0.01 0.59 0.47 0.49 -0.69 0.00 0.00 174.62 175.46 3i22 n PHE 68 N 2.28 -1.10 -2.73 4.92 3.72 -1.26 -4.05 117.46 119.23 3i22 n PHE 68 Ca -0.19 -2.07 -0.06 0.00 -0.05 0.00 0.00 57.45 55.08 3i22 n PHE 68 Cb 0.54 -0.43 0.04 0.00 -0.94 0.00 0.00 39.48 38.69 3i22 n PHE 68 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 3i22 n VAL 69 N -1.80 0.00 -2.26 -4.37 3.14 -1.26 -5.03 118.33 106.75 3i22 n VAL 69 Ca 0.02 -1.16 -0.42 0.00 -2.96 0.00 0.00 64.34 59.82 3i22 n VAL 69 Cb 0.56 1.25 -0.03 0.00 -1.06 0.00 0.00 33.84 34.57 3i22 n VAL 69 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 3i22 s THR 70 N 0.67 3.57 0.00 1.55 2.01 -1.26 -4.99 115.64 117.19 3i22 s THR 70 Ca 0.30 1.13 0.00 0.00 0.31 0.00 0.00 61.69 63.43 3i22 s THR 70 Cb 0.16 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.95 3i22 s THR 70 CO -0.17 0.09 0.00 2.29 -0.69 0.00 0.00 174.62 176.14 3i22 n LYS 71 N 3.90 0.08 -4.58 4.92 2.85 -1.26 -5.09 118.16 118.97 3i22 n LYS 71 Ca 0.10 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 57.03 3i22 n LYS 71 Cb 0.44 0.00 -0.15 0.00 -0.65 0.00 0.00 35.03 34.66 3i22 n LYS 71 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 3i22 s THR 72 N 4.01 2.59 0.82 0.58 -1.32 -1.26 -4.85 115.64 116.22 3i22 s THR 72 Ca 0.00 -0.80 -0.14 0.00 -1.21 0.00 0.00 61.69 59.54 3i22 s THR 72 Cb 0.00 -2.08 0.04 0.00 -1.51 0.00 0.00 72.50 68.95 3i22 s THR 72 CO 0.00 0.52 0.87 -0.81 -2.21 0.00 0.00 174.62 172.99 3i22 n PRO 73 N 4.01 0.09 -1.66 7.08 -0.04 -1.26 -4.84 135.00 138.38 3i22 n PRO 73 Ca -0.19 0.09 -0.49 0.00 -0.04 0.00 0.00 63.50 62.88 3i22 n PRO 73 Cb 0.52 -2.16 -0.05 0.00 -0.04 0.00 0.00 33.50 31.77 3i22 n PRO 73 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3i22 n PRO 74 N -2.34 1.86 -0.04 0.54 -0.02 -1.26 -4.86 135.00 128.87 3i22 n PRO 74 Ca 0.11 0.67 0.10 0.00 -2.02 0.00 0.00 63.50 62.37 3i22 n PRO 74 Cb 0.51 -2.43 0.46 0.00 -0.02 0.00 0.00 33.50 32.02 3i22 n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i22 n ALA 75 N 4.14 2.56 0.03 3.55 0.00 -1.26 -3.15 120.51 126.38 3i22 n ALA 75 Ca 0.19 -0.35 0.01 0.00 0.00 0.00 0.00 53.44 53.29 3i22 n ALA 75 Cb 0.25 -1.18 -0.08 0.00 0.00 0.00 0.00 19.45 18.44 3i22 n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i22 n ALA 76 N -0.15 2.01 0.03 0.00 0.00 -1.26 -3.99 120.51 117.15 3i22 n ALA 76 Ca 0.15 -0.53 0.11 0.00 0.00 0.00 0.00 53.44 53.17 3i22 n ALA 76 Cb 0.22 -0.94 0.24 0.00 0.00 0.00 0.00 19.45 18.97 3i22 n ALA 76 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i22 n VAL 77 N -2.84 0.70 0.04 0.00 0.24 -1.19 -4.38 118.33 110.90 3i22 n VAL 77 Ca -0.09 -0.85 -0.18 0.00 -2.04 0.00 0.00 64.34 61.18 3i22 n VAL 77 Cb 0.81 0.79 -0.14 0.00 -1.47 0.00 0.00 33.84 33.83 3i22 n VAL 77 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3i22 h LEU 78 N 4.12 0.39 -0.90 1.34 3.38 -1.68 -3.33 115.31 118.63 3i22 h LEU 78 Ca 0.00 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.31 3i22 h LEU 78 Cb 0.95 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3i22 h LEU 78 CO 0.00 1.57 0.00 0.18 0.09 0.00 0.00 178.44 180.28 3i22 n LEU 79 N -3.44 0.60 -0.05 1.67 4.77 -1.26 -2.88 117.00 116.42 3i22 n LEU 79 Ca -0.22 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 3i22 n LEU 79 Cb 1.05 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 3i22 n LEU 79 CO 0.48 0.15 0.46 0.29 -1.33 0.00 0.00 177.39 177.44 3i22 n LYS 80 N 0.10 0.97 -1.29 3.23 5.02 -1.25 -3.19 118.16 121.74 3i22 n LYS 80 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 3i22 n LYS 80 Cb 0.15 -1.04 -0.02 0.00 -0.02 0.00 0.00 35.03 34.10 3i22 n LYS 80 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3i22 n LYS 81 N -0.45 0.04 -0.32 1.97 2.85 -1.14 -4.11 118.16 117.00 3i22 n LYS 81 Ca 0.00 -1.54 0.07 0.00 -1.05 0.00 0.00 58.31 55.80 3i22 n LYS 81 Cb 0.02 0.22 0.22 0.00 -0.65 0.00 0.00 35.03 34.84 3i22 n LYS 81 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3i22 n ALA 82 N 0.23 2.51 0.02 0.58 0.00 -1.19 -4.78 120.51 117.87 3i22 n ALA 82 Ca -0.10 -1.49 0.00 0.00 0.00 0.00 0.00 53.44 51.85 3i22 n ALA 82 Cb 0.93 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.76 3i22 n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i22 n ALA 83 N 0.46 0.00 0.00 0.00 0.00 -1.26 -4.46 120.51 115.25 3i22 n ALA 83 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3i22 n ALA 83 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 3i22 n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i22 n GLY 84 N -1.48 -0.16 3.75 0.00 0.00 -1.26 -5.12 105.19 100.92 3i22 n GLY 84 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3i22 n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i22 s ILE 85 N 0.00 2.40 -1.48 -0.61 -4.36 -1.26 -4.89 121.20 111.00 3i22 s ILE 85 Ca 0.00 0.34 -0.13 0.00 -0.26 0.00 0.00 60.65 60.60 3i22 s ILE 85 Cb 0.00 -3.22 0.02 0.00 1.25 0.00 0.00 42.46 40.52 3i22 s ILE 85 CO 0.00 0.05 2.34 1.17 0.24 0.00 0.00 174.94 178.75 3i22 n LYS 86 N 2.35 3.01 0.00 0.37 4.81 -1.26 -4.59 118.16 122.86 3i22 n LYS 86 Ca 0.08 -2.56 0.00 0.00 -0.87 0.00 0.00 58.31 54.96 3i22 n LYS 86 Cb 0.39 -3.20 0.00 0.00 0.02 0.00 0.00 35.03 32.24 3i22 n LYS 86 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3i22 n SER 87 N 5.62 0.00 -4.67 3.14 7.64 -1.26 -4.92 113.62 119.17 3i22 n SER 87 Ca 0.56 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 60.08 3i22 n SER 87 Cb 0.36 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.65 3i22 n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i22 n GLY 88 N 0.00 0.04 0.01 0.23 0.00 -1.26 -4.91 105.19 99.30 3i22 n GLY 88 Ca 0.00 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 45.85 3i22 n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i22 n SER 89 N -2.04 0.73 0.00 1.61 3.41 -1.26 -4.98 113.62 111.09 3i22 n SER 89 Ca 0.14 -0.56 0.00 0.00 -0.26 0.00 0.00 58.87 58.19 3i22 n SER 89 Cb 0.49 0.74 0.00 0.00 -0.26 0.00 0.00 64.21 65.18 3i22 n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i22 n GLY 90 N 1.47 1.42 3.63 5.00 0.00 -1.26 -4.90 105.19 110.54 3i22 n GLY 90 Ca 0.04 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 3i22 n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i22 s LYS 91 N 0.00 3.96 -1.18 1.61 1.02 -1.26 -4.96 119.74 118.93 3i22 s LYS 91 Ca 0.00 0.93 -0.22 0.00 0.02 0.00 0.00 55.97 56.70 3i22 s LYS 91 Cb 0.00 -3.79 -0.05 0.00 -0.52 0.00 0.00 37.83 33.47 3i22 s LYS 91 CO 0.00 -1.05 1.88 -2.14 -0.92 0.00 0.00 175.35 173.12 3i22 s PRO 92 N 3.90 2.85 0.00 -1.68 0.02 -1.26 -3.92 135.00 134.93 3i22 s PRO 92 Ca 0.46 -1.28 0.00 0.00 0.02 0.00 0.00 61.00 60.20 3i22 s PRO 92 Cb -0.11 -5.30 0.00 0.00 0.02 0.00 0.00 34.50 29.12 3i22 s PRO 92 CO 0.20 -3.52 0.00 -1.71 -0.33 0.00 0.00 177.00 171.65 3i22 n ASN 93 N 12.90 -2.70 -0.06 2.53 4.05 -1.26 -4.88 115.26 125.85 3i22 n ASN 93 Ca 0.45 0.00 -0.04 0.00 0.45 0.00 0.00 54.58 55.44 3i22 n ASN 93 Cb 0.47 -0.54 0.19 0.00 1.23 0.00 0.00 39.78 41.12 3i22 n ASN 93 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 177.26 174.32 3i22 h LYS 94 N 1.22 0.67 0.00 1.20 1.57 -1.95 -3.44 116.57 115.84 3i22 h LYS 94 Ca 0.00 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3i22 h LYS 94 Cb 0.03 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3i22 h LYS 94 CO 0.00 0.74 0.00 -3.47 -0.57 0.00 0.00 179.45 176.15 3i22 n ASP 95 N -4.20 0.55 -1.11 0.86 2.03 -1.26 -5.05 116.55 108.36 3i22 n ASP 95 Ca 0.01 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.34 3i22 n ASP 95 Cb 0.32 0.00 0.13 0.00 -0.72 0.00 0.00 41.12 40.85 3i22 n ASP 95 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 3i22 n LYS 96 N 0.00 1.42 -0.33 -0.67 3.00 -1.26 -4.87 118.16 115.45 3i22 n LYS 96 Ca 0.00 -3.08 0.19 0.00 -0.00 0.00 0.00 58.31 55.42 3i22 n LYS 96 Cb 0.00 -1.28 0.43 0.00 0.00 0.00 0.00 35.03 34.19 3i22 n LYS 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3i22 h VAL 97 N 2.93 0.58 -2.18 3.15 2.07 -1.95 -3.42 116.25 117.42 3i22 h VAL 97 Ca -0.02 -0.18 -0.59 0.00 0.82 0.00 0.00 66.70 66.73 3i22 h VAL 97 Cb 1.31 0.00 0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3i22 h VAL 97 CO 0.12 0.10 1.05 0.61 0.02 0.00 0.00 177.57 179.47 3i22 n GLY 98 N -1.40 1.46 2.60 2.17 0.00 -1.07 -4.96 105.19 103.99 3i22 n GLY 98 Ca 0.25 0.79 -0.25 0.00 0.00 0.00 0.00 46.02 46.81 3i22 n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i22 s LYS 99 N 3.23 0.36 -0.10 1.61 -0.14 -1.26 -4.49 119.74 118.95 3i22 s LYS 99 Ca 0.88 -0.66 0.04 0.00 -1.36 0.00 0.00 55.97 54.87 3i22 s LYS 99 Cb -0.63 -1.01 -0.00 0.00 -1.68 0.00 0.00 37.83 34.51 3i22 s LYS 99 CO 0.46 -1.09 -0.23 0.42 -0.76 0.00 0.00 175.35 174.14 3i22 s ILE 100 N 1.85 2.13 0.32 2.17 -1.09 -1.26 -4.03 121.20 121.28 3i22 s ILE 100 Ca 0.12 -1.00 -0.29 0.00 -2.23 0.00 0.00 60.65 57.26 3i22 s ILE 100 Cb -0.17 -1.81 -0.10 0.00 -1.58 0.00 0.00 42.46 38.79 3i22 s ILE 100 CO -0.23 0.56 1.33 -0.94 -1.23 0.00 0.00 174.94 174.42 3i22 s SER 101 N 0.33 6.76 0.22 3.58 1.04 -1.26 -4.76 113.70 119.61 3i22 s SER 101 Ca -0.18 2.68 0.16 0.00 0.48 0.00 0.00 55.95 59.09 3i22 s SER 101 Cb -0.18 -2.64 0.84 0.00 0.10 0.00 0.00 66.02 64.14 3i22 s SER 101 CO 0.09 -0.56 1.50 -1.14 0.98 0.00 0.00 173.24 174.11 3i22 n ARG 102 N 1.07 0.11 0.24 4.02 3.00 -1.26 0.45 116.66 124.28 3i22 n ARG 102 Ca 0.01 0.55 0.14 0.00 -0.00 0.00 0.00 57.85 58.55 3i22 n ARG 102 Cb 0.42 -1.81 0.43 0.00 0.00 0.00 0.00 32.46 31.49 3i22 n ARG 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i22 h ALA 103 N 2.07 0.99 -0.11 5.13 0.00 -1.93 -2.96 119.26 122.44 3i22 h ALA 103 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3i22 h ALA 103 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3i22 h ALA 103 CO 0.00 0.06 0.00 1.04 0.00 0.00 0.00 179.25 180.35 3i22 n GLN 104 N -3.13 1.72 0.00 0.00 6.02 0.17 -1.26 117.38 120.90 3i22 n GLN 104 Ca 0.02 -1.71 0.13 0.00 -0.01 0.00 0.00 57.00 55.43 3i22 n GLN 104 Cb 0.43 -1.36 0.36 0.00 1.02 0.00 0.00 30.24 30.69 3i22 n GLN 104 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3i22 n LEU 105 N 1.03 1.76 0.00 1.08 0.00 -0.96 -3.74 117.00 116.17 3i22 n LEU 105 Ca 0.12 -0.58 0.00 0.00 0.00 0.00 0.00 56.01 55.55 3i22 n LEU 105 Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 43.42 43.86 3i22 n LEU 105 CO 0.11 0.30 -0.25 1.67 0.00 0.00 0.00 177.39 179.22 3i22 n GLN 106 N 0.24 2.82 0.45 1.96 -0.06 -1.17 -4.38 117.38 117.23 3i22 n GLN 106 Ca 0.16 0.00 -0.18 0.00 -2.00 0.00 0.00 57.00 54.98 3i22 n GLN 106 Cb 0.41 -0.72 -0.09 0.00 -4.06 0.00 0.00 30.24 25.79 3i22 n GLN 106 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 3i22 h GLU 107 N 0.00 -1.10 -0.66 3.69 4.57 -1.27 -2.65 114.58 117.16 3i22 h GLU 107 Ca 0.00 0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 3i22 h GLU 107 Cb 0.00 0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 3i22 h GLU 107 CO 0.00 -0.73 0.00 0.44 -1.18 0.00 0.00 179.01 177.54 3i22 n ILE 108 N -5.54 0.98 -2.04 2.32 -5.35 -1.24 -3.61 119.36 104.86 3i22 n ILE 108 Ca -0.15 -0.56 -0.10 0.00 -0.27 0.00 0.00 62.75 61.67 3i22 n ILE 108 Cb 0.45 -0.21 0.08 0.00 -1.74 0.00 0.00 39.64 38.22 3i22 n ILE 108 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i22 n ALA 109 N 0.33 4.12 -0.41 -1.28 0.00 -1.02 -4.41 120.51 117.84 3i22 n ALA 109 Ca 0.12 -3.41 0.00 0.00 0.00 0.00 0.00 53.44 50.15 3i22 n ALA 109 Cb 0.55 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.56 3i22 n ALA 109 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3i22 n GLN 110 N -0.72 0.01 -0.08 0.00 7.27 -1.07 -4.47 117.38 118.33 3i22 n GLN 110 Ca 0.29 0.00 -0.16 0.00 0.07 0.00 0.00 57.00 57.21 3i22 n GLN 110 Cb 0.88 -0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.47 3i22 n GLN 110 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 3i22 n THR 111 N 0.00 0.83 -1.25 1.69 -1.04 -1.26 -4.68 114.28 108.58 3i22 n THR 111 Ca 0.00 -0.22 -0.38 0.00 -2.04 0.00 0.00 64.05 61.41 3i22 n THR 111 Cb 0.00 -1.62 -0.03 0.00 -1.82 0.00 0.00 70.33 66.86 3i22 n THR 111 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3i22 n LYS 112 N -3.59 2.29 -2.66 -2.82 5.02 -1.26 -4.14 118.16 111.01 3i22 n LYS 112 Ca -0.29 -2.02 -0.05 0.00 -2.02 0.00 0.00 58.31 53.93 3i22 n LYS 112 Cb 0.72 -2.91 0.12 0.00 -0.02 0.00 0.00 35.03 32.93 3i22 n LYS 112 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i22 n ALA 113 N 5.89 1.65 0.00 7.82 0.00 -1.26 -4.84 120.51 129.77 3i22 n ALA 113 Ca 0.53 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.86 3i22 n ALA 113 Cb 0.32 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3i22 n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i22 n ALA 114 N -0.95 0.73 1.12 0.00 0.00 -1.26 -4.90 120.51 115.25 3i22 n ALA 114 Ca -0.10 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.47 3i22 n ALA 114 Cb 0.84 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.63 3i22 n ALA 114 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i22 n ASP 115 N -1.72 0.68 -1.10 0.00 5.75 -1.26 -4.88 116.55 114.02 3i22 n ASP 115 Ca 0.00 -0.48 0.00 0.00 -0.01 0.00 0.00 54.79 54.30 3i22 n ASP 115 Cb 0.00 0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 3i22 n ASP 115 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 3i22 n MET 116 N -1.15 3.15 -3.63 0.11 2.81 -1.26 -5.07 117.12 112.08 3i22 n MET 116 Ca 0.09 0.00 -0.28 0.00 -1.81 0.00 0.00 57.70 55.70 3i22 n MET 116 Cb 0.34 0.00 -0.11 0.00 -0.71 0.00 0.00 33.22 32.73 3i22 n MET 116 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3i22 s THR 117 N 1.68 1.45 0.00 2.03 2.01 -1.26 -4.92 115.64 116.63 3i22 s THR 117 Ca 0.00 -3.21 0.00 0.00 0.31 0.00 0.00 61.69 58.79 3i22 s THR 117 Cb 0.00 -1.98 0.00 0.00 0.01 0.00 0.00 72.50 70.53 3i22 s THR 117 CO 0.00 -1.09 0.00 0.61 -0.69 0.00 0.00 174.62 173.45 3i22 n GLY 118 N 2.66 0.00 5.37 4.40 0.00 -1.26 -4.95 105.19 111.41 3i22 n GLY 118 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3i22 n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i22 n ALA 119 N -2.29 0.00 -1.53 4.61 0.00 -1.26 -4.19 120.51 115.85 3i22 n ALA 119 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3i22 n ALA 119 Cb 0.43 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.01 3i22 n ALA 119 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i22 s ASP 120 N -4.00 3.49 -0.01 0.00 1.01 -1.26 -4.92 116.67 110.98 3i22 s ASP 120 Ca 0.00 0.97 0.01 0.00 0.71 0.00 0.00 52.55 54.24 3i22 s ASP 120 Cb 0.00 -1.55 0.04 0.00 1.01 0.00 0.00 42.92 42.41 3i22 s ASP 120 CO 0.00 -2.56 0.70 -0.38 0.21 0.00 0.00 175.17 173.14 3i22 n ILE 121 N -3.77 0.41 -0.03 0.77 5.41 -1.26 -3.21 119.36 117.67 3i22 n ILE 121 Ca 0.06 -0.07 -0.03 0.00 1.00 0.00 0.00 62.75 63.71 3i22 n ILE 121 Cb 0.59 -0.63 -0.05 0.00 -0.71 0.00 0.00 39.64 38.84 3i22 n ILE 121 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3i22 n GLU 122 N 0.14 2.82 -0.46 0.38 4.71 -1.26 -4.01 120.64 122.96 3i22 n GLU 122 Ca 0.02 -0.00 0.09 0.00 -0.01 0.00 0.00 57.16 57.26 3i22 n GLU 122 Cb 0.37 -1.18 0.30 0.00 -1.01 0.00 0.00 31.44 29.93 3i22 n GLU 122 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3i22 n ALA 123 N -2.27 2.79 0.01 0.62 0.00 -1.20 -3.86 120.51 116.61 3i22 n ALA 123 Ca -0.11 -1.29 -0.02 0.00 0.00 0.00 0.00 53.44 52.01 3i22 n ALA 123 Cb 0.73 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.17 3i22 n ALA 123 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3i22 n MET 124 N 1.13 0.13 0.37 0.00 2.81 -1.24 -4.33 117.12 116.00 3i22 n MET 124 Ca 0.22 0.05 -0.15 0.00 -1.81 0.00 0.00 57.70 56.02 3i22 n MET 124 Cb 0.70 -0.74 -0.07 0.00 -0.71 0.00 0.00 33.22 32.41 3i22 n MET 124 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 3i22 h THR 125 N -0.25 0.00 -0.23 2.03 1.35 -1.77 -3.12 112.91 110.92 3i22 h THR 125 Ca -0.00 -0.12 0.07 0.00 -0.55 0.00 0.00 66.41 65.81 3i22 h THR 125 Cb 0.27 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.68 3i22 h THR 125 CO -0.00 0.00 0.28 0.03 -0.25 0.00 0.00 175.52 175.58 3i22 h ARG 126 N -1.08 0.00 -0.58 4.72 3.08 -1.83 0.28 114.38 118.97 3i22 h ARG 126 Ca -0.10 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.02 3i22 h ARG 126 Cb 0.74 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.76 3i22 h ARG 126 CO 0.16 0.00 0.39 0.77 -1.07 0.00 0.00 179.97 180.22 3i22 h SER 127 N 0.00 0.47 1.35 7.04 0.02 -1.78 -1.59 113.55 119.05 3i22 h SER 127 Ca 0.11 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 3i22 h SER 127 Cb 0.67 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 3i22 h SER 127 CO -0.00 0.30 -0.67 0.40 -1.14 0.00 0.00 176.83 175.72 3i22 h ILE 128 N 0.53 0.27 0.00 3.27 1.08 -0.53 -3.09 117.51 119.03 3i22 h ILE 128 Ca 0.25 -1.43 -0.09 0.00 -0.39 0.00 0.00 64.86 63.21 3i22 h ILE 128 Cb 0.31 1.93 -0.01 0.00 -3.07 0.00 0.00 36.82 35.99 3i22 h ILE 128 CO -0.07 0.15 -0.41 -0.33 -0.69 0.00 0.00 178.15 176.80 3i22 h GLU 129 N 0.00 0.00 -0.02 2.37 5.08 -1.18 -2.44 114.58 118.39 3i22 h GLU 129 Ca -0.03 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.16 3i22 h GLU 129 Cb 1.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 3i22 h GLU 129 CO 0.02 0.41 -0.75 0.78 -1.00 0.00 0.00 179.01 178.47 3i22 h GLY 130 N 1.29 0.14 0.94 -3.84 0.00 -1.39 -2.55 103.07 97.66 3i22 h GLY 130 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3i22 h GLY 130 CO 0.05 0.19 0.00 -1.30 0.00 0.00 0.00 176.54 175.49 3i22 n THR 131 N -3.72 0.00 -0.13 4.70 -2.24 -0.96 -3.47 114.28 108.47 3i22 n THR 131 Ca -0.02 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.49 3i22 n THR 131 Cb 0.72 -0.53 -0.11 0.00 -2.10 0.00 0.00 70.33 68.32 3i22 n THR 131 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i22 n ALA 132 N -0.97 1.20 0.73 6.98 0.00 -0.97 -4.36 120.51 123.13 3i22 n ALA 132 Ca 0.20 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.60 3i22 n ALA 132 Cb 0.09 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.55 3i22 n ALA 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i22 n ARG 133 N -4.06 0.73 -0.02 0.00 1.74 -1.04 -1.53 116.66 112.49 3i22 n ARG 133 Ca -0.51 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 56.56 3i22 n ARG 133 Cb 0.90 -1.34 -0.00 0.00 -1.02 0.00 0.00 32.46 30.99 3i22 n ARG 133 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3i22 n SER 134 N 0.18 0.40 0.26 0.55 7.64 -1.25 -4.38 113.62 117.02 3i22 n SER 134 Ca 0.00 0.32 0.12 0.00 1.01 0.00 0.00 58.87 60.32 3i22 n SER 134 Cb 0.20 -0.58 0.72 0.00 -1.01 0.00 0.00 64.21 63.54 3i22 n SER 134 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i22 h MET 135 N -0.22 0.00 0.00 1.43 -0.00 -1.83 -3.41 114.93 110.90 3i22 h MET 135 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3i22 h MET 135 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.71 3i22 h MET 135 CO 0.00 0.11 0.00 0.41 -0.00 0.00 0.00 176.91 177.43 3i22 n GLY 136 N -0.88 0.51 0.02 -3.00 0.00 -1.17 -3.98 105.19 96.70 3i22 n GLY 136 Ca -0.02 -0.74 -0.00 0.00 0.00 0.00 0.00 46.02 45.26 3i22 n GLY 136 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i22 n LEU 137 N 0.00 0.00 0.00 0.99 4.77 -0.58 -2.60 117.00 119.57 3i22 n LEU 137 Ca 0.00 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3i22 n LEU 137 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3i22 n LEU 137 CO 0.00 -0.13 0.00 1.33 -1.33 0.00 0.00 177.39 177.26 3i22 n VAL 138 N -0.26 0.00 -4.05 4.08 0.24 -1.26 -4.56 118.33 112.53 3i22 n VAL 138 Ca -0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.18 3i22 n VAL 138 Cb 0.00 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.34 3i22 n VAL 138 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 3i22 n VAL 139 N 0.00 0.00 0.00 3.34 0.24 -1.26 -4.90 118.33 115.75 3i22 n VAL 139 Ca 0.00 -1.50 0.00 0.00 -2.04 0.00 0.00 64.34 60.80 3i22 n VAL 139 Cb 0.00 0.84 0.00 0.00 -1.47 0.00 0.00 33.84 33.21 3i22 n VAL 139 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3i22 n GLU 140 N -0.44 0.00 0.00 7.34 4.07 -1.26 -4.94 120.64 125.41 3i22 n GLU 140 Ca 0.03 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.13 3i22 n GLU 140 Cb 0.43 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.81 3i22 n GLU 140 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82