#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i22 n LYS 3 N 0.00 0.00 0.01 -0.67 4.01 -1.26 -1.54 118.16 118.71 3i22 n LYS 3 Ca 0.00 0.00 -0.19 0.00 -0.51 0.00 0.00 58.31 57.61 3i22 n LYS 3 Cb 0.00 0.00 -0.09 0.00 -0.51 0.00 0.00 35.03 34.43 3i22 n LYS 3 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 3i22 h LYS 4 N 0.00 0.70 0.00 1.97 1.63 -2.06 -1.28 116.57 117.54 3i22 h LYS 4 Ca 0.00 -0.67 0.00 0.00 -0.85 0.00 0.00 60.65 59.13 3i22 h LYS 4 Cb 0.00 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 3i22 h LYS 4 CO 0.00 1.27 0.00 0.43 -3.45 0.00 0.00 179.45 177.70 3i22 n SER 5 N -3.94 0.00 -0.12 4.20 7.64 -0.59 -1.93 113.62 118.88 3i22 n SER 5 Ca -0.10 0.42 -0.17 0.00 1.01 0.00 0.00 58.87 60.04 3i22 n SER 5 Cb 0.80 -0.44 -0.12 0.00 -1.01 0.00 0.00 64.21 63.44 3i22 n SER 5 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i22 n ALA 6 N -1.44 1.47 -0.71 -0.43 0.00 -1.06 -4.33 120.51 114.00 3i22 n ALA 6 Ca 0.02 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.38 3i22 n ALA 6 Cb 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.44 3i22 n ALA 6 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i22 n ARG 7 N -3.19 0.00 -0.11 0.00 0.63 -0.51 -3.94 116.66 109.55 3i22 n ARG 7 Ca -0.43 0.14 -0.03 0.00 -0.92 0.00 0.00 57.85 56.61 3i22 n ARG 7 Cb 0.98 -1.06 -0.03 0.00 0.45 0.00 0.00 32.46 32.81 3i22 n ARG 7 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 3i22 n ILE 8 N -0.93 -0.18 -0.18 5.15 -0.00 -1.10 -0.09 119.36 122.03 3i22 n ILE 8 Ca 0.00 0.83 0.18 0.00 -0.00 0.00 0.00 62.75 63.76 3i22 n ILE 8 Cb 0.00 -1.05 0.53 0.00 -0.00 0.00 0.00 39.64 39.12 3i22 n ILE 8 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.55 176.63 3i22 h ARG 9 N 0.00 0.36 -0.37 0.38 0.11 -1.83 0.88 114.38 113.90 3i22 h ARG 9 Ca 0.04 -0.02 0.07 0.00 0.10 0.00 0.00 59.98 60.17 3i22 h ARG 9 Cb 0.11 -0.08 -0.06 0.00 1.11 0.00 0.00 29.97 31.05 3i22 h ARG 9 CO -0.24 0.24 0.02 0.00 0.10 0.00 0.00 179.97 180.08 3i22 h ARG 10 N 0.37 0.12 0.00 0.08 3.08 -0.62 -1.44 114.38 115.96 3i22 h ARG 10 Ca 0.40 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.44 3i22 h ARG 10 Cb 1.01 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.03 3i22 h ARG 10 CO -0.13 0.08 -0.09 0.00 -1.07 0.00 0.00 179.97 178.76 3i22 h ALA 11 N 1.32 0.95 0.00 0.04 0.00 -1.01 -3.19 119.26 117.36 3i22 h ALA 11 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3i22 h ALA 11 Cb 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3i22 h ALA 11 CO -0.29 0.00 -0.00 1.15 0.00 0.00 0.00 179.25 180.11 3i22 h THR 12 N 0.00 0.02 0.05 0.00 2.02 0.18 0.47 112.91 115.64 3i22 h THR 12 Ca 0.00 -0.22 -0.23 0.00 0.77 0.00 0.00 66.41 66.73 3i22 h THR 12 Cb 0.89 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 3i22 h THR 12 CO 0.00 0.00 -1.06 -0.09 0.37 0.00 0.00 175.52 174.75 3i22 h ARG 13 N 0.00 0.13 0.15 6.66 2.43 -1.51 -3.15 114.38 119.09 3i22 h ARG 13 Ca -0.00 -0.20 -0.25 0.00 -0.81 0.00 0.00 59.98 58.72 3i22 h ARG 13 Cb 0.22 0.07 0.01 0.00 -0.42 0.00 0.00 29.97 29.85 3i22 h ARG 13 CO 0.00 1.06 -1.18 0.00 -1.51 0.00 0.00 179.97 178.34 3i22 h ALA 14 N 0.85 0.02 -0.64 2.80 0.00 -0.76 -2.41 119.26 119.13 3i22 h ALA 14 Ca -0.06 -0.90 -0.04 0.00 0.00 0.00 0.00 54.91 53.91 3i22 h ALA 14 Cb 1.78 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 19.83 3i22 h ALA 14 CO 0.16 0.63 0.25 0.00 0.00 0.00 0.00 179.25 180.28 3i22 h ARG 15 N -0.27 0.97 0.00 0.00 3.08 -0.41 0.80 114.38 118.56 3i22 h ARG 15 Ca -0.23 -0.18 -0.10 0.00 0.07 0.00 0.00 59.98 59.54 3i22 h ARG 15 Cb 1.77 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.65 3i22 h ARG 15 CO 0.13 0.82 -0.47 -0.09 -1.07 0.00 0.00 179.97 179.29 3i22 h ARG 16 N 0.91 0.00 -0.09 0.04 9.65 -1.68 0.77 114.38 123.98 3i22 h ARG 16 Ca 0.21 0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 58.90 3i22 h ARG 16 Cb 0.22 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.80 3i22 h ARG 16 CO -0.02 0.47 -0.75 -0.22 2.80 0.00 0.00 179.97 182.25 3i22 h LYS 17 N 0.00 0.49 0.00 0.20 3.11 -0.98 -2.39 116.57 117.00 3i22 h LYS 17 Ca -0.00 -0.40 0.00 0.00 -2.81 0.00 0.00 60.65 57.43 3i22 h LYS 17 Cb 1.19 0.09 0.00 0.00 -1.00 0.00 0.00 32.23 32.50 3i22 h LYS 17 CO 0.06 1.04 0.00 1.28 -2.81 0.00 0.00 179.45 179.02 3i22 n LEU 18 N -3.85 0.00 -0.01 5.20 4.77 0.28 -2.05 117.00 121.33 3i22 n LEU 18 Ca -0.05 0.32 -0.02 0.00 -0.03 0.00 0.00 56.01 56.23 3i22 n LEU 18 Cb 0.72 -0.32 -0.12 0.00 -2.33 0.00 0.00 43.42 41.38 3i22 n LEU 18 CO 0.49 -0.10 -0.56 1.67 -1.33 0.00 0.00 177.39 177.56 3i22 n GLN 19 N -1.32 0.64 0.00 3.23 -0.06 0.19 -1.11 117.38 118.96 3i22 n GLN 19 Ca 0.09 0.12 0.14 0.00 -2.00 0.00 0.00 57.00 55.36 3i22 n GLN 19 Cb 0.18 -1.71 0.70 0.00 -4.06 0.00 0.00 30.24 25.36 3i22 n GLN 19 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 3i22 n GLU 20 N -2.79 0.35 0.00 3.69 2.13 -0.87 -4.37 120.64 118.78 3i22 n GLU 20 Ca -0.15 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.69 3i22 n GLU 20 Cb 0.89 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 31.10 3i22 n GLU 20 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3i22 n LEU 21 N -1.32 0.00 0.00 4.31 4.77 -1.04 -5.09 117.00 118.63 3i22 n LEU 21 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 3i22 n LEU 21 Cb 0.24 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3i22 n LEU 21 CO 0.22 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 3i22 n GLY 22 N 3.16 0.46 7.00 -0.72 0.00 -0.26 -5.09 105.19 109.73 3i22 n GLY 22 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.78 3i22 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i22 n ALA 23 N -1.00 0.00 -2.37 4.61 0.00 -1.26 -4.80 120.51 115.69 3i22 n ALA 23 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3i22 n ALA 23 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 3i22 n ALA 23 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3i22 s THR 24 N 0.00 2.23 -0.07 0.00 -4.23 -1.26 -3.47 115.64 108.83 3i22 s THR 24 Ca 0.00 -1.60 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 3i22 s THR 24 Cb 0.00 -1.94 -0.03 0.00 1.34 0.00 0.00 72.50 71.87 3i22 s THR 24 CO 0.00 0.21 -0.05 -0.13 -0.54 0.00 0.00 174.62 174.10 3i22 s ARG 25 N -1.72 2.82 -0.97 3.99 0.52 -1.24 -2.10 118.95 120.25 3i22 s ARG 25 Ca 0.13 -0.52 -0.16 0.00 -0.52 0.00 0.00 55.73 54.67 3i22 s ARG 25 Cb -0.10 -2.64 0.18 0.00 0.52 0.00 0.00 34.95 32.91 3i22 s ARG 25 CO 0.04 0.67 1.08 -1.17 0.02 0.00 0.00 175.30 175.94 3i22 s LEU 26 N -0.81 5.66 -0.66 2.53 2.96 -1.16 -3.45 118.68 123.76 3i22 s LEU 26 Ca 0.12 -2.56 -0.26 0.00 -0.22 0.00 0.00 54.13 51.21 3i22 s LEU 26 Cb -0.11 -2.33 -0.11 0.00 0.50 0.00 0.00 46.19 44.14 3i22 s LEU 26 CO 0.02 -0.79 2.41 -0.69 -1.32 0.00 0.00 176.35 175.98 3i22 s VAL 27 N 1.37 3.01 -1.25 1.68 1.01 -1.11 -3.73 120.40 121.38 3i22 s VAL 27 Ca 0.30 -0.00 -0.14 0.00 0.00 0.00 0.00 61.98 62.14 3i22 s VAL 27 Cb -0.06 -3.01 0.14 0.00 0.00 0.00 0.00 36.38 33.45 3i22 s VAL 27 CO -0.07 -0.01 1.58 0.55 0.00 0.00 0.00 175.10 177.14 3i22 n VAL 28 N 8.45 4.16 -2.45 2.92 3.14 -1.21 -3.44 118.33 129.90 3i22 n VAL 28 Ca 0.42 -4.50 -0.41 0.00 -2.96 0.00 0.00 64.34 56.89 3i22 n VAL 28 Cb 0.48 -2.43 -0.03 0.00 -1.06 0.00 0.00 33.84 30.80 3i22 n VAL 28 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 3i22 s HIS 29 N 2.15 2.33 0.55 1.45 2.46 -1.24 -4.77 115.29 118.23 3i22 s HIS 29 Ca 0.45 0.36 -0.17 0.00 0.47 0.00 0.00 55.06 56.18 3i22 s HIS 29 Cb 0.00 -4.46 -0.06 0.00 -0.13 0.00 0.00 32.58 27.94 3i22 s HIS 29 CO 0.02 -1.92 1.03 0.50 -2.47 0.00 0.00 174.74 171.89 3i22 s ARG 30 N 5.51 3.61 -0.15 2.88 3.52 -1.26 -1.47 118.95 131.58 3i22 s ARG 30 Ca 0.47 1.14 -0.27 0.00 -0.13 0.00 0.00 55.73 56.94 3i22 s ARG 30 Cb -0.09 -2.08 0.07 0.00 -1.56 0.00 0.00 34.95 31.28 3i22 s ARG 30 CO 0.23 -0.57 0.66 -0.08 -0.81 0.00 0.00 175.30 174.73 3i22 s THR 31 N -2.44 0.00 0.45 4.11 -1.32 -0.96 -4.95 115.64 110.54 3i22 s THR 31 Ca 0.62 -0.02 0.30 0.00 -1.21 0.00 0.00 61.69 61.38 3i22 s THR 31 Cb -0.14 -0.96 0.50 0.00 -1.51 0.00 0.00 72.50 70.39 3i22 s THR 31 CO 0.32 -0.01 1.68 -0.65 -2.21 0.00 0.00 174.62 173.75 3i22 h PRO 32 N 4.04 0.14 0.00 7.08 0.11 -1.99 -2.38 132.00 138.99 3i22 h PRO 32 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3i22 h PRO 32 Cb 1.15 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3i22 h PRO 32 CO 0.24 0.09 -0.55 -2.13 -0.21 0.00 0.00 178.00 175.44 3i22 n ARG 33 N -4.54 3.72 -2.56 1.05 0.63 -1.26 -4.82 116.66 108.89 3i22 n ARG 33 Ca 0.34 -0.01 -0.06 0.00 -0.92 0.00 0.00 57.85 57.19 3i22 n ARG 33 Cb 1.33 -0.90 -0.02 0.00 0.45 0.00 0.00 32.46 33.33 3i22 n ARG 33 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3i22 n HIS 34 N -1.29 -0.52 -3.71 -0.14 8.25 -0.90 -3.76 115.22 113.15 3i22 n HIS 34 Ca 0.01 -0.86 -0.13 0.00 -0.26 0.00 0.00 57.72 56.48 3i22 n HIS 34 Cb 0.12 0.14 -0.09 0.00 1.12 0.00 0.00 29.99 31.28 3i22 n HIS 34 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3i22 s ILE 35 N -2.50 0.00 0.42 1.59 -1.09 -1.08 -2.26 121.20 116.28 3i22 s ILE 35 Ca 0.11 -0.03 0.03 0.00 -2.23 0.00 0.00 60.65 58.54 3i22 s ILE 35 Cb 0.00 -0.66 -0.03 0.00 -1.58 0.00 0.00 42.46 40.20 3i22 s ILE 35 CO 0.08 -0.02 0.10 -0.31 -1.23 0.00 0.00 174.94 173.57 3i22 s TYR 36 N 0.11 1.82 -0.30 3.97 2.02 -0.54 -3.25 117.35 121.17 3i22 s TYR 36 Ca -0.01 -1.20 -0.22 0.00 -0.37 0.00 0.00 57.07 55.27 3i22 s TYR 36 Cb -0.03 -1.25 0.20 0.00 -0.40 0.00 0.00 41.96 40.48 3i22 s TYR 36 CO 0.01 -0.18 1.41 0.00 -1.57 0.00 0.00 175.55 175.23 3i22 s ALA 37 N -3.16 -2.37 0.05 3.71 0.00 -1.11 -3.59 121.76 115.30 3i22 s ALA 37 Ca 0.22 1.75 -0.26 0.00 0.00 0.00 0.00 51.96 53.67 3i22 s ALA 37 Cb 0.03 -1.86 0.07 0.00 0.00 0.00 0.00 23.12 21.35 3i22 s ALA 37 CO 0.13 -0.15 0.61 1.14 0.00 0.00 0.00 175.76 177.48 3i22 s GLN 38 N 0.31 1.13 -0.21 0.00 -2.07 -1.23 -1.41 119.66 116.19 3i22 s GLN 38 Ca 0.03 -0.13 -0.08 0.00 -1.82 0.00 0.00 55.36 53.36 3i22 s GLN 38 Cb -0.04 0.53 -0.04 0.00 -1.09 0.00 0.00 33.01 32.37 3i22 s GLN 38 CO -0.14 -0.42 0.08 0.08 -1.32 0.00 0.00 175.29 173.56 3i22 s VAL 39 N -2.44 4.75 -0.29 3.63 1.01 0.47 -2.74 120.40 124.80 3i22 s VAL 39 Ca -0.05 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.89 3i22 s VAL 39 Cb -0.01 -3.17 0.09 0.00 0.00 0.00 0.00 36.38 33.29 3i22 s VAL 39 CO -0.01 0.41 0.04 -0.63 0.00 0.00 0.00 175.10 174.91 3i22 s ILE 40 N 0.81 1.34 0.72 2.22 1.01 -1.22 -2.64 121.20 123.43 3i22 s ILE 40 Ca 0.04 -1.49 -0.16 0.00 0.00 0.00 0.00 60.65 59.04 3i22 s ILE 40 Cb -0.13 -1.88 -0.02 0.00 0.01 0.00 0.00 42.46 40.44 3i22 s ILE 40 CO 0.02 -0.46 0.73 0.00 0.00 0.00 0.00 174.94 175.23 3i22 n ALA 41 N 4.68 -0.91 -0.29 9.38 0.00 -1.23 -3.61 120.51 128.54 3i22 n ALA 41 Ca -0.04 -0.21 -0.22 0.00 0.00 0.00 0.00 53.44 52.97 3i22 n ALA 41 Cb 0.43 -1.97 -0.06 0.00 0.00 0.00 0.00 19.45 17.85 3i22 n ALA 41 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3i22 n PRO 42 N -1.23 0.00 0.00 0.00 -0.02 -1.23 -2.60 135.00 129.93 3i22 n PRO 42 Ca 0.11 -0.72 0.00 0.00 -2.02 0.00 0.00 63.50 60.87 3i22 n PRO 42 Cb 0.50 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 3i22 n PRO 42 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3i22 n ASN 43 N 6.87 0.00 0.00 2.55 6.94 -1.26 -5.03 115.26 125.33 3i22 n ASN 43 Ca 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.79 3i22 n ASN 43 Cb 0.21 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.63 3i22 n ASN 43 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3i22 n GLY 44 N 0.00 2.68 0.00 4.83 0.00 -1.07 -4.85 105.19 106.78 3i22 n GLY 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i22 n GLY 44 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3i22 n SER 45 N 0.66 0.00 -4.69 1.61 2.88 -1.26 -4.83 113.62 107.98 3i22 n SER 45 Ca 0.00 0.16 -0.43 0.00 -1.33 0.00 0.00 58.87 57.27 3i22 n SER 45 Cb 0.00 -0.05 -0.03 0.00 -0.75 0.00 0.00 64.21 63.38 3i22 n SER 45 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3i22 n GLU 46 N -0.65 2.76 -3.35 -1.46 2.13 -1.26 -4.94 120.64 113.87 3i22 n GLU 46 Ca 0.00 1.00 -0.46 0.00 0.66 0.00 0.00 57.16 58.36 3i22 n GLU 46 Cb 0.00 -2.89 -0.02 0.00 0.27 0.00 0.00 31.44 28.80 3i22 n GLU 46 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3i22 s VAL 47 N 2.67 5.59 0.00 6.31 1.01 -1.26 -3.48 120.40 131.24 3i22 s VAL 47 Ca 0.82 -2.66 -0.01 0.00 0.00 0.00 0.00 61.98 60.13 3i22 s VAL 47 Cb -0.50 -4.44 -0.00 0.00 0.00 0.00 0.00 36.38 31.44 3i22 s VAL 47 CO 0.38 -1.05 1.02 -0.07 0.00 0.00 0.00 175.10 175.37 3i22 h LEU 48 N 7.55 -0.06 -8.97 3.92 3.38 -1.87 -3.44 115.31 115.82 3i22 h LEU 48 Ca 0.12 0.01 -0.44 0.00 0.09 0.00 0.00 57.88 57.66 3i22 h LEU 48 Cb 1.01 0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.64 3i22 h LEU 48 CO 0.79 -0.01 -0.69 -0.69 0.09 0.00 0.00 178.44 177.93 3i22 s VAL 49 N -3.08 1.45 -0.30 1.22 1.01 -1.25 -5.00 120.40 114.46 3i22 s VAL 49 Ca -0.00 -2.11 -0.16 0.00 0.00 0.00 0.00 61.98 59.70 3i22 s VAL 49 Cb 0.00 -2.28 0.17 0.00 0.00 0.00 0.00 36.38 34.28 3i22 s VAL 49 CO 0.02 -0.41 1.08 0.00 0.00 0.00 0.00 175.10 175.78 3i22 s ALA 50 N -3.14 -2.64 -0.02 5.51 0.00 -1.26 0.18 121.76 120.38 3i22 s ALA 50 Ca 0.26 2.05 0.04 0.00 0.00 0.00 0.00 51.96 54.31 3i22 s ALA 50 Cb 0.03 -1.96 -0.00 0.00 0.00 0.00 0.00 23.12 21.19 3i22 s ALA 50 CO 0.09 -0.62 -0.13 0.00 0.00 0.00 0.00 175.76 175.10 3i22 s ALA 51 N 1.74 1.11 0.00 0.00 0.00 -0.50 -4.96 121.76 119.15 3i22 s ALA 51 Ca -0.05 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.40 3i22 s ALA 51 Cb -0.04 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.74 3i22 s ALA 51 CO -0.15 0.22 0.00 0.43 0.00 0.00 0.00 175.76 176.26 3i22 n SER 52 N 3.05 0.05 -0.03 0.00 7.64 -1.26 -2.73 113.62 120.34 3i22 n SER 52 Ca -0.17 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.67 3i22 n SER 52 Cb 0.54 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.72 3i22 n SER 52 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3i22 n THR 53 N 0.00 0.31 0.33 0.44 -2.24 -1.20 -4.62 114.28 107.30 3i22 n THR 53 Ca 0.00 -0.10 0.18 0.00 -2.27 0.00 0.00 64.05 61.86 3i22 n THR 53 Cb 0.00 -1.03 0.97 0.00 -2.10 0.00 0.00 70.33 68.18 3i22 n THR 53 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3i22 h VAL 54 N -0.08 0.02 -4.20 2.28 3.04 -1.96 -3.39 116.25 111.96 3i22 h VAL 54 Ca -0.13 0.00 -0.53 0.00 -1.01 0.00 0.00 66.70 65.03 3i22 h VAL 54 Cb 1.16 0.80 0.18 0.00 -2.01 0.00 0.00 31.29 31.42 3i22 h VAL 54 CO -0.05 0.00 0.35 -1.61 -1.01 0.00 0.00 177.57 175.25 3i22 s GLU 55 N -4.14 1.74 0.31 4.17 2.02 -1.26 -4.92 118.70 116.61 3i22 s GLU 55 Ca -0.04 1.75 0.15 0.00 0.02 0.00 0.00 54.97 56.85 3i22 s GLU 55 Cb 0.11 -1.79 0.41 0.00 0.10 0.00 0.00 34.13 32.96 3i22 s GLU 55 CO 0.34 -2.14 1.61 -0.22 0.02 0.00 0.00 175.26 174.87 3i22 h LYS 56 N -0.80 0.00 -1.04 1.61 3.11 -1.97 -3.24 116.57 114.25 3i22 h LYS 56 Ca -0.46 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.38 3i22 h LYS 56 Cb 1.29 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.52 3i22 h LYS 56 CO 0.47 0.51 0.00 0.00 -2.81 0.00 0.00 179.45 177.62 3i22 n ALA 57 N -2.31 2.38 0.00 5.00 0.00 -1.26 -3.16 120.51 121.16 3i22 n ALA 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i22 n ALA 57 Cb 0.62 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3i22 n ALA 57 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3i22 n ILE 58 N 0.39 0.00 0.06 0.00 -0.00 -1.22 -4.88 119.36 113.71 3i22 n ILE 58 Ca 0.00 0.00 0.21 0.00 -0.00 0.00 0.00 62.75 62.96 3i22 n ILE 58 Cb 0.38 0.00 0.72 0.00 -0.00 0.00 0.00 39.64 40.74 3i22 n ILE 58 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3i22 h ALA 59 N 0.00 2.19 0.78 -1.39 0.00 -1.61 -2.45 119.26 116.78 3i22 h ALA 59 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3i22 h ALA 59 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3i22 h ALA 59 CO 0.00 -0.75 -0.50 0.93 0.00 0.00 0.00 179.25 178.94 3i22 h GLU 60 N 0.00 -1.15 -1.10 0.00 4.39 -1.90 -2.99 114.58 111.82 3i22 h GLU 60 Ca 0.22 0.08 -0.67 0.00 0.34 0.00 0.00 59.36 59.33 3i22 h GLU 60 Cb 1.23 0.26 -0.31 0.00 -0.10 0.00 0.00 28.75 29.83 3i22 h GLU 60 CO -0.00 -0.77 0.65 0.94 -1.16 0.00 0.00 179.01 178.67 3i22 n GLN 61 N -5.63 2.83 -4.05 2.33 7.27 -0.96 -4.90 117.38 114.28 3i22 n GLN 61 Ca -0.15 -3.46 -0.33 0.00 0.07 0.00 0.00 57.00 53.14 3i22 n GLN 61 Cb 0.50 -2.29 -0.15 0.00 2.41 0.00 0.00 30.24 30.72 3i22 n GLN 61 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 3i22 s LEU 62 N -3.83 3.19 -0.11 1.69 1.98 -1.00 -4.98 118.68 115.63 3i22 s LEU 62 Ca 0.61 -1.16 -0.26 0.00 -2.89 0.00 0.00 54.13 50.43 3i22 s LEU 62 Cb 0.49 -1.57 -0.28 0.00 0.66 0.00 0.00 46.19 45.49 3i22 s LEU 62 CO -0.06 -0.15 0.83 0.50 -1.89 0.00 0.00 176.35 175.58 3i22 h LYS 63 N 7.86 0.10 -2.81 1.98 3.11 -1.90 -3.46 116.57 121.46 3i22 h LYS 63 Ca -0.27 -0.17 -0.19 0.00 -2.81 0.00 0.00 60.65 57.21 3i22 h LYS 63 Cb 1.07 0.06 -0.31 0.00 -1.00 0.00 0.00 32.23 32.05 3i22 h LYS 63 CO 0.52 1.07 -0.49 -0.47 -2.81 0.00 0.00 179.45 177.27 3i22 s TYR 64 N -2.35 -0.49 -1.71 1.91 5.04 -1.26 -5.03 117.35 113.46 3i22 s TYR 64 Ca -0.17 1.07 0.04 0.00 -2.44 0.00 0.00 57.07 55.57 3i22 s TYR 64 Cb -0.02 0.04 0.24 0.00 0.35 0.00 0.00 41.96 42.57 3i22 s TYR 64 CO 0.74 -0.37 0.85 0.25 -1.34 0.00 0.00 175.55 175.68 3i22 n THR 65 N 5.25 0.50 -3.64 4.34 -2.24 -1.26 -3.46 114.28 113.77 3i22 n THR 65 Ca -0.08 0.13 -0.27 0.00 -2.27 0.00 0.00 64.05 61.55 3i22 n THR 65 Cb 0.50 -1.06 -0.10 0.00 -2.10 0.00 0.00 70.33 67.57 3i22 n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i22 n GLY 66 N -0.83 3.80 3.44 3.38 0.00 -1.25 -2.65 105.19 111.09 3i22 n GLY 66 Ca 0.03 -2.34 -0.12 0.00 0.00 0.00 0.00 46.02 43.59 3i22 n GLY 66 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i22 s ASN 67 N -1.44 0.43 0.23 1.61 2.47 -1.23 -4.95 114.94 112.07 3i22 s ASN 67 Ca 0.31 -1.29 -0.08 0.00 0.42 0.00 0.00 52.86 52.22 3i22 s ASN 67 Cb 0.04 0.56 0.38 0.00 -1.45 0.00 0.00 41.25 40.78 3i22 s ASN 67 CO -0.13 -1.12 1.67 0.50 -3.72 0.00 0.00 177.10 174.30 3i22 h LYS 68 N 2.28 0.19 0.05 0.43 1.63 -1.93 0.39 116.57 119.62 3i22 h LYS 68 Ca -0.29 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.50 3i22 h LYS 68 Cb 1.25 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.83 3i22 h LYS 68 CO 0.41 0.12 -0.03 -0.44 -3.45 0.00 0.00 179.45 176.06 3i22 h ASP 69 N 0.19 -0.08 -0.83 4.20 5.19 -1.96 -3.26 116.42 119.87 3i22 h ASP 69 Ca 0.37 0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.86 3i22 h ASP 69 Cb 0.62 0.02 -0.10 0.00 0.18 0.00 0.00 39.33 40.05 3i22 h ASP 69 CO -0.53 -0.05 -0.48 0.00 -3.12 0.00 0.00 179.24 175.06 3i22 n ALA 70 N -2.15 -0.51 -1.13 3.45 0.00 -0.59 0.29 120.51 119.87 3i22 n ALA 70 Ca -0.01 0.72 -0.24 0.00 0.00 0.00 0.00 53.44 53.90 3i22 n ALA 70 Cb 0.03 -0.13 -0.11 0.00 0.00 0.00 0.00 19.45 19.25 3i22 n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i22 n ALA 71 N -3.38 6.89 0.00 0.00 0.00 0.13 -1.83 120.51 122.31 3i22 n ALA 71 Ca 0.02 -2.59 0.00 0.00 0.00 0.00 0.00 53.44 50.87 3i22 n ALA 71 Cb 0.22 -2.80 0.00 0.00 0.00 0.00 0.00 19.45 16.87 3i22 n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i22 n ALA 72 N 3.00 0.00 -0.11 0.00 0.00 0.16 -1.29 120.51 122.28 3i22 n ALA 72 Ca 0.59 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.91 3i22 n ALA 72 Cb 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 3i22 n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i22 h ALA 73 N 0.00 0.48 -0.02 0.00 0.00 0.46 -1.35 119.26 118.83 3i22 h ALA 73 Ca 0.00 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.55 3i22 h ALA 73 Cb 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3i22 h ALA 73 CO 0.00 0.44 0.05 0.28 0.00 0.00 0.00 179.25 180.02 3i22 h VAL 74 N 0.51 0.25 -0.19 0.00 2.07 -1.55 -0.53 116.25 116.81 3i22 h VAL 74 Ca 0.07 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.41 3i22 h VAL 74 Cb 0.77 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3i22 h VAL 74 CO 0.06 0.00 -0.60 1.23 0.02 0.00 0.00 177.57 178.28 3i22 h GLY 75 N 0.00 0.71 2.00 2.17 0.00 -1.43 0.66 103.07 107.17 3i22 h GLY 75 Ca 0.01 -0.86 -0.07 0.00 0.00 0.00 0.00 47.33 46.40 3i22 h GLY 75 CO -0.00 0.77 -0.36 1.70 0.00 0.00 0.00 176.54 178.66 3i22 h LYS 76 N 0.48 0.00 0.08 4.80 1.63 -0.67 -1.97 116.57 120.93 3i22 h LYS 76 Ca -0.00 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 3i22 h LYS 76 Cb 1.17 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 3i22 h LYS 76 CO 0.12 0.36 -0.04 0.00 -3.45 0.00 0.00 179.45 176.43 3i22 h ALA 77 N 1.64 -0.12 -0.94 5.00 0.00 -1.17 -3.06 119.26 120.61 3i22 h ALA 77 Ca -0.00 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.00 3i22 h ALA 77 Cb 0.68 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.44 3i22 h ALA 77 CO 0.05 -0.12 0.60 0.28 0.00 0.00 0.00 179.25 180.06 3i22 h VAL 78 N -0.91 0.90 0.07 0.00 2.07 -0.95 -0.18 116.25 117.26 3i22 h VAL 78 Ca -0.01 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3i22 h VAL 78 Cb 0.09 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 3i22 h VAL 78 CO 0.02 0.16 -0.06 0.00 0.02 0.00 0.00 177.57 177.71 3i22 h ALA 79 N 1.56 -0.12 -0.38 1.67 0.00 -1.49 0.85 119.26 121.35 3i22 h ALA 79 Ca 0.46 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.31 3i22 h ALA 79 Cb 0.54 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3i22 h ALA 79 CO -0.23 -0.58 0.08 0.93 0.00 0.00 0.00 179.25 179.46 3i22 h GLU 80 N -0.14 0.61 -0.61 0.00 4.39 -1.24 -1.13 114.58 116.46 3i22 h GLU 80 Ca 0.00 -0.15 -0.09 0.00 0.34 0.00 0.00 59.36 59.46 3i22 h GLU 80 Cb 0.13 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 3i22 h GLU 80 CO -0.01 0.65 0.02 0.00 -1.16 0.00 0.00 179.01 178.51 3i22 h ARG 81 N 0.46 1.06 0.00 2.33 3.08 -0.98 0.48 114.38 120.82 3i22 h ARG 81 Ca 0.12 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.85 3i22 h ARG 81 Cb 0.32 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3i22 h ARG 81 CO 0.00 1.02 0.00 0.00 -1.07 0.00 0.00 179.97 179.92 3i22 h ALA 82 N 1.03 1.00 0.00 0.04 0.00 -0.77 -1.63 119.26 118.93 3i22 h ALA 82 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3i22 h ALA 82 Cb 0.53 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3i22 h ALA 82 CO 0.03 0.00 -0.99 1.25 0.00 0.00 0.00 179.25 179.54 3i22 h LEU 83 N 0.00 0.00 0.44 0.00 5.85 -0.00 -2.41 115.31 119.19 3i22 h LEU 83 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3i22 h LEU 83 Cb 0.55 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.58 3i22 h LEU 83 CO 0.00 0.08 -0.21 -0.08 -0.34 0.00 0.00 178.44 177.88 3i22 h GLU 84 N 0.00 -0.57 0.00 1.25 4.22 0.92 -3.10 114.58 117.31 3i22 h GLU 84 Ca -0.02 0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.46 3i22 h GLU 84 Cb 1.08 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3i22 h GLU 84 CO 0.01 -0.38 0.00 1.63 -2.18 0.00 0.00 179.01 178.09 3i22 n LYS 85 N -3.78 0.15 -0.31 1.92 4.76 -1.21 -4.88 118.16 114.80 3i22 n LYS 85 Ca -0.07 0.26 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 3i22 n LYS 85 Cb 0.23 -1.72 0.00 0.00 -1.84 0.00 0.00 35.03 31.70 3i22 n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i22 n GLY 86 N 0.67 0.84 2.78 0.72 0.00 -1.17 -4.98 105.19 104.04 3i22 n GLY 86 Ca 0.04 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 3i22 n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i22 n ILE 87 N -2.31 2.86 -3.92 -0.61 2.08 -0.91 -4.93 119.36 111.63 3i22 n ILE 87 Ca 0.00 -2.24 -0.33 0.00 0.56 0.00 0.00 62.75 60.74 3i22 n ILE 87 Cb 0.00 -2.44 -0.05 0.00 -0.75 0.00 0.00 39.64 36.40 3i22 n ILE 87 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 3i22 s LYS 88 N 3.71 3.42 0.01 0.38 -2.85 -1.24 -4.74 119.74 118.42 3i22 s LYS 88 Ca 0.53 -0.36 0.00 0.00 -1.00 0.00 0.00 55.97 55.14 3i22 s LYS 88 Cb 0.14 -3.07 0.00 0.00 -2.06 0.00 0.00 37.83 32.84 3i22 s LYS 88 CO -0.01 0.66 0.00 -3.47 0.10 0.00 0.00 175.35 172.63 3i22 n ASP 89 N 0.81 -3.07 0.00 0.03 -0.08 -1.24 -4.97 116.55 108.03 3i22 n ASP 89 Ca -0.10 0.26 0.00 0.00 -1.51 0.00 0.00 54.79 53.44 3i22 n ASP 89 Cb 0.52 -1.60 0.00 0.00 2.34 0.00 0.00 41.12 42.39 3i22 n ASP 89 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 3i22 n VAL 90 N 0.26 0.00 -3.98 5.18 0.24 -1.26 -4.89 118.33 113.88 3i22 n VAL 90 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.17 3i22 n VAL 90 Cb 0.00 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.23 3i22 n VAL 90 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3i22 s SER 91 N 2.00 0.27 -0.32 -1.34 0.01 -0.89 -4.91 113.70 108.51 3i22 s SER 91 Ca 0.00 -0.13 -0.14 0.00 1.31 0.00 0.00 55.95 56.99 3i22 s SER 91 Cb 0.00 -0.00 -0.02 0.00 0.21 0.00 0.00 66.02 66.20 3i22 s SER 91 CO 0.00 -0.04 0.29 0.12 0.41 0.00 0.00 173.24 174.02 3i22 s PHE 92 N -0.32 3.22 -0.48 2.43 5.36 -1.26 -2.98 117.98 123.95 3i22 s PHE 92 Ca -0.02 -0.03 -0.18 0.00 -0.96 0.00 0.00 56.93 55.74 3i22 s PHE 92 Cb -0.03 -2.54 0.05 0.00 -0.34 0.00 0.00 43.02 40.17 3i22 s PHE 92 CO -0.00 -0.34 0.55 0.34 -1.46 0.00 0.00 175.22 174.31 3i22 s ASP 93 N 1.73 6.21 0.18 6.13 2.15 -1.24 -4.86 116.67 126.97 3i22 s ASP 93 Ca 0.09 -0.88 0.21 0.00 0.43 0.00 0.00 52.55 52.40 3i22 s ASP 93 Cb -0.17 -2.26 0.88 0.00 -0.30 0.00 0.00 42.92 41.08 3i22 s ASP 93 CO 0.11 -0.78 1.66 -2.11 -0.17 0.00 0.00 175.17 173.88 3i22 n ARG 94 N 5.90 0.14 -2.89 4.34 1.85 -1.26 -3.30 116.66 121.45 3i22 n ARG 94 Ca -0.07 0.36 -0.10 0.00 -1.00 0.00 0.00 57.85 57.03 3i22 n ARG 94 Cb 0.46 -1.76 0.03 0.00 -1.05 0.00 0.00 32.46 30.13 3i22 n ARG 94 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 3i22 n SER 95 N -2.03 -3.77 0.00 2.89 7.64 -1.26 -2.99 113.62 114.10 3i22 n SER 95 Ca 0.03 -0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.70 3i22 n SER 95 Cb 0.23 -2.39 0.00 0.00 -1.01 0.00 0.00 64.21 61.04 3i22 n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i22 n GLY 96 N -1.12 2.13 3.76 0.23 0.00 -1.26 -4.74 105.19 104.19 3i22 n GLY 96 Ca -0.01 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3i22 n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i22 s PHE 97 N -0.15 2.86 0.39 1.61 0.08 -1.16 -4.81 117.98 116.80 3i22 s PHE 97 Ca 0.00 1.07 -0.25 0.00 0.12 0.00 0.00 56.93 57.86 3i22 s PHE 97 Cb 0.00 -3.90 -0.11 0.00 -0.57 0.00 0.00 43.02 38.44 3i22 s PHE 97 CO 0.00 -2.82 1.08 0.94 -0.10 0.00 0.00 175.22 174.31 3i22 n GLN 98 N 1.61 1.51 -1.67 0.44 -0.06 -1.26 -4.79 117.38 113.16 3i22 n GLN 98 Ca 0.05 0.54 -0.40 0.00 -2.00 0.00 0.00 57.00 55.19 3i22 n GLN 98 Cb 0.40 -2.09 -0.02 0.00 -4.06 0.00 0.00 30.24 24.47 3i22 n GLN 98 CO 0.00 0.00 0.00 0.98 -0.20 0.00 0.00 177.06 177.84 3i22 n TYR 99 N -0.27 2.54 0.00 3.69 4.19 -1.26 -4.35 117.16 121.70 3i22 n TYR 99 Ca 0.08 -2.96 0.00 0.00 3.31 0.00 0.00 57.90 58.34 3i22 n TYR 99 Cb 0.38 -2.17 0.00 0.00 0.49 0.00 0.00 39.34 38.04 3i22 n TYR 99 CO 0.00 0.00 0.00 1.58 0.91 0.00 0.00 176.86 179.35 3i22 n HIS 100 N 2.73 0.00 0.00 2.98 -0.00 -1.26 -4.44 115.22 115.23 3i22 n HIS 100 Ca 0.70 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.88 3i22 n HIS 100 Cb 0.24 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.11 3i22 n HIS 100 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3i22 n GLY 101 N 1.23 2.23 0.48 1.57 0.00 -1.26 -4.70 105.19 104.74 3i22 n GLY 101 Ca 0.00 -0.14 0.30 0.00 0.00 0.00 0.00 46.02 46.18 3i22 n GLY 101 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3i22 h ARG 102 N 0.00 0.10 0.07 1.61 3.08 -1.91 0.97 114.38 118.30 3i22 h ARG 102 Ca 0.00 -0.01 -0.24 0.00 0.07 0.00 0.00 59.98 59.80 3i22 h ARG 102 Cb 0.00 -0.02 0.02 0.00 0.08 0.00 0.00 29.97 30.05 3i22 h ARG 102 CO 0.00 0.07 -0.99 0.28 -1.07 0.00 0.00 179.97 178.25 3i22 h VAL 103 N 0.10 1.35 0.00 2.04 2.07 -1.85 -0.55 116.25 119.42 3i22 h VAL 103 Ca 0.52 -2.34 -0.00 0.00 0.82 0.00 0.00 66.70 65.70 3i22 h VAL 103 Cb 1.86 2.69 -0.00 0.00 -1.52 0.00 0.00 31.29 34.33 3i22 h VAL 103 CO -0.07 0.70 -0.01 -0.61 0.02 0.00 0.00 177.57 177.60 3i22 h GLN 104 N 0.11 0.00 0.00 1.57 4.15 -1.04 -0.48 115.11 119.42 3i22 h GLN 104 Ca -0.15 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 58.97 3i22 h GLN 104 Cb 1.69 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 29.34 3i22 h GLN 104 CO 0.19 0.01 -1.68 0.00 -1.93 0.00 0.00 178.83 175.42 3i22 n ALA 105 N -2.18 0.92 -0.18 3.38 0.00 -0.88 -3.99 120.51 117.57 3i22 n ALA 105 Ca -0.03 -0.69 0.19 0.00 0.00 0.00 0.00 53.44 52.91 3i22 n ALA 105 Cb 0.10 -0.33 0.56 0.00 0.00 0.00 0.00 19.45 19.78 3i22 n ALA 105 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3i22 h LEU 106 N -1.00 0.30 0.00 0.00 5.85 0.28 0.39 115.31 121.13 3i22 h LEU 106 Ca -0.46 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.28 3i22 h LEU 106 Cb 1.40 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.40 3i22 h LEU 106 CO -0.28 0.14 0.00 0.00 -0.34 0.00 0.00 178.44 177.96 3i22 n ALA 107 N -2.56 -0.19 0.17 1.25 0.00 -0.21 -3.18 120.51 115.79 3i22 n ALA 107 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.69 3i22 n ALA 107 Cb 0.67 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.59 3i22 n ALA 107 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i22 n ASP 108 N -1.18 0.44 -1.30 0.00 3.85 -1.16 -0.56 116.55 116.64 3i22 n ASP 108 Ca 0.00 0.65 0.00 0.00 -0.71 0.00 0.00 54.79 54.73 3i22 n ASP 108 Cb 0.00 -0.65 0.00 0.00 -1.35 0.00 0.00 41.12 39.12 3i22 n ASP 108 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3i22 n ALA 109 N -1.66 3.19 -1.89 2.12 0.00 0.12 -2.60 120.51 119.79 3i22 n ALA 109 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3i22 n ALA 109 Cb 0.20 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3i22 n ALA 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i22 n ALA 110 N 1.09 1.20 0.00 0.00 0.00 0.28 -3.42 120.51 119.65 3i22 n ALA 110 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3i22 n ALA 110 Cb 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.90 3i22 n ALA 110 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i22 n ARG 111 N 0.00 3.03 0.19 0.00 0.63 -1.07 -2.51 116.66 116.93 3i22 n ARG 111 Ca 0.00 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.83 3i22 n ARG 111 Cb 0.51 -0.97 -0.05 0.00 0.45 0.00 0.00 32.46 32.39 3i22 n ARG 111 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 3i22 h GLU 112 N 0.00 -0.54 -0.48 -0.14 4.11 -1.83 -3.32 114.58 112.39 3i22 h GLU 112 Ca 0.00 0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.47 3i22 h GLU 112 Cb 0.94 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3i22 h GLU 112 CO 0.00 -0.29 0.00 0.00 0.07 0.00 0.00 179.01 178.79 3i22 n ALA 113 N -2.69 3.29 -3.21 1.06 0.00 -1.26 -4.98 120.51 112.72 3i22 n ALA 113 Ca -0.08 -1.92 0.00 0.00 0.00 0.00 0.00 53.44 51.44 3i22 n ALA 113 Cb 0.25 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3i22 n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i22 n GLY 114 N 0.37 4.62 2.77 0.00 0.00 -1.25 -4.72 105.19 106.98 3i22 n GLY 114 Ca 0.24 -1.76 -0.24 0.00 0.00 0.00 0.00 46.02 44.26 3i22 n GLY 114 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3i22 n LEU 115 N 0.00 0.00 -4.36 0.99 -0.00 -1.05 -4.46 117.00 108.13 3i22 n LEU 115 Ca 0.00 -0.88 -0.45 0.00 -0.00 0.00 0.00 56.01 54.68 3i22 n LEU 115 Cb 0.00 -0.81 -0.05 0.00 -0.00 0.00 0.00 43.42 42.56 3i22 n LEU 115 CO 0.00 -2.12 0.26 -1.10 -0.00 0.00 0.00 177.39 174.43 3i22 s GLN 116 N -4.93 3.02 0.00 1.47 1.11 -1.26 -3.75 119.66 115.33 3i22 s GLN 116 Ca 0.57 -1.44 0.15 0.00 0.01 0.00 0.00 55.36 54.64 3i22 s GLN 116 Cb -0.07 -4.26 0.12 0.00 -1.01 0.00 0.00 33.01 27.80 3i22 s GLN 116 CO 0.45 -1.39 0.97 1.97 0.01 0.00 0.00 175.29 177.30