#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 1.18 -2.43 2.12 4.81 -1.26 -4.93 118.16 117.65 3i22 n LYS 2 Ca 0.00 0.39 -0.29 0.00 -0.87 0.00 0.00 58.31 57.54 3i22 n LYS 2 Cb 0.00 -2.27 -0.01 0.00 0.02 0.00 0.00 35.03 32.78 3i22 n LYS 2 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3i22 s ARG 3 N 4.77 3.65 0.00 1.64 1.81 -1.26 -4.92 118.95 124.64 3i22 s ARG 3 Ca 1.03 0.49 0.04 0.00 -1.72 0.00 0.00 55.73 55.57 3i22 s ARG 3 Cb -0.97 -2.27 0.23 0.00 -0.45 0.00 0.00 34.95 31.49 3i22 s ARG 3 CO 0.58 -0.28 0.72 0.25 -0.68 0.00 0.00 175.30 175.89 3i22 n THR 4 N -2.14 0.05 -4.03 0.02 -2.24 -1.26 -4.24 114.28 100.44 3i22 n THR 4 Ca 0.03 0.01 -0.31 0.00 -2.27 0.00 0.00 64.05 61.51 3i22 n THR 4 Cb 0.54 -0.95 -0.16 0.00 -2.10 0.00 0.00 70.33 67.66 3i22 n THR 4 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3i22 s PHE 5 N -2.03 2.44 -0.38 4.78 5.99 -1.26 -5.07 117.98 122.45 3i22 s PHE 5 Ca 0.06 -1.50 0.01 0.00 0.00 0.00 0.00 56.93 55.49 3i22 s PHE 5 Cb 0.03 -1.69 0.13 0.00 0.00 0.00 0.00 43.02 41.49 3i22 s PHE 5 CO 0.05 -0.73 0.21 -0.65 -0.00 0.00 0.00 175.22 174.09 3i22 s GLN 6 N 1.40 0.84 0.51 10.12 -1.52 -1.26 -5.12 119.66 124.62 3i22 s GLN 6 Ca 0.02 -1.55 -0.20 0.00 -1.95 0.00 0.00 55.36 51.67 3i22 s GLN 6 Cb -0.14 -1.75 -0.09 0.00 -0.22 0.00 0.00 33.01 30.80 3i22 s GLN 6 CO -0.10 -1.17 0.71 -0.35 -0.25 0.00 0.00 175.29 174.14 3i22 n PRO 7 N 3.94 0.78 -3.03 2.91 -0.04 -1.26 -5.03 135.00 133.27 3i22 n PRO 7 Ca 0.09 0.29 0.03 0.00 -0.04 0.00 0.00 63.50 63.87 3i22 n PRO 7 Cb 0.36 -1.81 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 3i22 n PRO 7 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3i22 s SER 8 N -1.04 -0.72 0.29 3.54 1.04 -1.26 -5.08 113.70 110.47 3i22 s SER 8 Ca 0.68 -0.12 -0.00 0.00 0.48 0.00 0.00 55.95 56.98 3i22 s SER 8 Cb -0.50 1.19 0.49 0.00 0.10 0.00 0.00 66.02 67.30 3i22 s SER 8 CO 0.54 -0.11 1.91 1.62 0.98 0.00 0.00 173.24 178.19 3i22 h VAL 9 N 4.42 1.09 -0.44 5.02 3.04 -1.97 0.14 116.25 127.55 3i22 h VAL 9 Ca -0.04 -0.37 0.04 0.00 -1.01 0.00 0.00 66.70 65.31 3i22 h VAL 9 Cb 1.20 -0.08 -0.04 0.00 -2.01 0.00 0.00 31.29 30.36 3i22 h VAL 9 CO -0.03 0.20 0.22 0.25 -1.01 0.00 0.00 177.57 177.20 3i22 h LEU 10 N 1.08 0.31 0.04 3.16 6.46 -1.99 -1.17 115.31 123.20 3i22 h LEU 10 Ca 0.39 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 58.17 3i22 h LEU 10 Cb 0.15 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.05 3i22 h LEU 10 CO -0.14 0.22 -0.02 0.50 -0.62 0.00 0.00 178.44 178.38 3i22 h LYS 11 N 0.44 -0.05 -0.89 1.25 3.64 -1.88 -1.98 116.57 117.09 3i22 h LYS 11 Ca 0.19 0.00 0.37 0.00 -1.27 0.00 0.00 60.65 59.94 3i22 h LYS 11 Cb 0.10 0.01 -0.16 0.00 -0.41 0.00 0.00 32.23 31.77 3i22 h LYS 11 CO -0.14 0.27 0.46 -2.13 -2.27 0.00 0.00 179.45 175.64 3i22 n ARG 12 N -4.77 -0.05 0.01 1.90 0.63 0.44 0.23 116.66 115.05 3i22 n ARG 12 Ca -0.04 1.23 -0.18 0.00 -0.92 0.00 0.00 57.85 57.95 3i22 n ARG 12 Cb 0.16 -2.20 -0.13 0.00 0.45 0.00 0.00 32.46 30.74 3i22 n ARG 12 CO 0.00 0.00 0.00 -0.97 -2.51 0.00 0.00 177.63 174.15 3i22 h ASN 13 N 0.00 0.41 -0.03 6.15 -0.73 -1.31 -3.31 115.58 116.77 3i22 h ASN 13 Ca 0.75 -0.87 0.01 0.00 1.87 0.00 0.00 56.30 58.06 3i22 h ASN 13 Cb 1.96 -0.13 -0.00 0.00 0.27 0.00 0.00 38.32 40.41 3i22 h ASN 13 CO -0.69 1.24 0.04 -0.09 -0.37 0.00 0.00 177.43 177.55 3i22 h ARG 14 N -0.36 0.00 -0.06 6.67 2.43 0.36 0.80 114.38 124.22 3i22 h ARG 14 Ca -0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3i22 h ARG 14 Cb 1.38 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.93 3i22 h ARG 14 CO 0.11 0.00 0.00 0.43 -1.51 0.00 0.00 179.97 179.00 3i22 n SER 15 N -3.77 2.59 0.00 -3.80 7.64 -0.87 -4.62 113.62 110.79 3i22 n SER 15 Ca -0.02 -2.83 0.00 0.00 1.01 0.00 0.00 58.87 57.02 3i22 n SER 15 Cb 0.13 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 3i22 n SER 15 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3i22 n HIS 16 N -1.02 0.00 -0.64 1.43 8.25 -0.82 -5.02 115.22 117.41 3i22 n HIS 16 Ca 0.14 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.31 3i22 n HIS 16 Cb 0.61 0.00 0.24 0.00 1.12 0.00 0.00 29.99 31.95 3i22 n HIS 16 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3i22 s GLY 17 N 0.00 1.56 0.10 -1.41 0.00 0.27 -4.73 107.32 103.11 3i22 s GLY 17 Ca 0.00 -0.11 -0.24 0.00 0.00 0.00 0.00 44.72 44.37 3i22 s GLY 17 CO 0.00 0.58 1.71 -2.75 0.00 0.00 0.00 173.10 172.64 3i22 h PHE 18 N -2.49 -0.16 -0.81 1.90 3.04 -1.87 -1.53 116.94 115.01 3i22 h PHE 18 Ca -0.59 0.00 0.11 0.00 3.98 0.00 0.00 57.97 61.47 3i22 h PHE 18 Cb 1.33 0.07 -0.06 0.00 2.56 0.00 0.00 35.95 39.85 3i22 h PHE 18 CO 0.28 -0.10 0.53 0.00 -2.02 0.00 0.00 178.31 177.00 3i22 h ARG 19 N -0.14 0.67 0.00 1.11 3.08 -1.93 0.47 114.38 117.64 3i22 h ARG 19 Ca 0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3i22 h ARG 19 Cb 0.14 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3i22 h ARG 19 CO -0.03 0.44 -0.15 0.00 -1.07 0.00 0.00 179.97 179.16 3i22 h ALA 20 N 1.60 0.92 0.02 0.04 0.00 -1.80 -2.91 119.26 117.13 3i22 h ALA 20 Ca 0.39 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 55.05 3i22 h ALA 20 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3i22 h ALA 20 CO -0.15 0.00 -1.23 -0.09 0.00 0.00 0.00 179.25 177.78 3i22 h ARG 21 N 0.00 0.05 -0.00 0.00 2.43 0.87 -3.24 114.38 114.48 3i22 h ARG 21 Ca 0.00 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3i22 h ARG 21 Cb 0.94 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 3i22 h ARG 21 CO 0.00 0.92 -0.39 -0.12 -1.51 0.00 0.00 179.97 178.88 3i22 n MET 22 N -3.31 0.42 -2.58 0.20 1.56 0.16 -0.98 117.12 112.60 3i22 n MET 22 Ca -0.06 -0.25 -0.42 0.00 -0.27 0.00 0.00 57.70 56.70 3i22 n MET 22 Cb 0.98 -1.49 0.01 0.00 2.15 0.00 0.00 33.22 34.86 3i22 n MET 22 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3i22 n ALA 23 N -1.07 5.64 0.00 -5.12 0.00 -1.10 -4.77 120.51 114.10 3i22 n ALA 23 Ca 0.09 -4.51 0.00 0.00 0.00 0.00 0.00 53.44 49.02 3i22 n ALA 23 Cb 0.34 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 17.20 3i22 n ALA 23 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3i22 n THR 24 N 1.79 0.00 1.81 0.00 5.66 -1.26 -4.96 114.28 117.32 3i22 n THR 24 Ca 0.39 0.00 0.15 0.00 -3.05 0.00 0.00 64.05 61.55 3i22 n THR 24 Cb 0.32 0.00 0.80 0.00 -1.55 0.00 0.00 70.33 69.90 3i22 n THR 24 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 3i22 n LYS 25 N 0.00 1.19 -0.00 1.09 4.81 -1.26 -0.68 118.16 123.31 3i22 n LYS 25 Ca 0.00 -0.31 0.06 0.00 -0.87 0.00 0.00 58.31 57.19 3i22 n LYS 25 Cb 0.00 -1.49 -0.08 0.00 0.02 0.00 0.00 35.03 33.47 3i22 n LYS 25 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3i22 n ASN 26 N -0.63 1.38 -0.11 3.14 4.05 -1.26 -4.46 115.26 117.37 3i22 n ASN 26 Ca 0.22 -0.37 -0.23 0.00 0.45 0.00 0.00 54.58 54.64 3i22 n ASN 26 Cb 0.20 1.30 -0.08 0.00 1.23 0.00 0.00 39.78 42.43 3i22 n ASN 26 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3i22 n GLY 27 N 1.55 -0.36 0.37 8.20 0.00 -1.07 -4.37 105.19 109.52 3i22 n GLY 27 Ca -0.00 -0.12 0.17 0.00 0.00 0.00 0.00 46.02 46.07 3i22 n GLY 27 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3i22 h ARG 28 N -0.79 0.57 0.00 1.61 0.11 0.91 0.64 114.38 117.44 3i22 h ARG 28 Ca -0.54 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.50 3i22 h ARG 28 Cb 1.47 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 32.42 3i22 h ARG 28 CO -0.33 0.38 0.46 0.94 0.10 0.00 0.00 179.97 181.52 3i22 n GLN 29 N -4.69 0.04 0.10 0.08 7.27 -1.26 0.18 117.38 119.09 3i22 n GLN 29 Ca 0.23 0.40 -0.16 0.00 0.07 0.00 0.00 57.00 57.54 3i22 n GLN 29 Cb 0.69 -2.07 -0.12 0.00 2.41 0.00 0.00 30.24 31.14 3i22 n GLN 29 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 3i22 h VAL 30 N 0.00 1.47 0.00 1.69 2.07 0.07 -3.08 116.25 118.47 3i22 h VAL 30 Ca 0.00 -2.94 0.00 0.00 0.82 0.00 0.00 66.70 64.58 3i22 h VAL 30 Cb 0.91 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 33.54 3i22 h VAL 30 CO 0.00 0.86 0.00 0.18 0.02 0.00 0.00 177.57 178.63 3i22 n LEU 31 N -3.58 0.00 -0.09 2.57 4.77 0.48 -1.73 117.00 119.42 3i22 n LEU 31 Ca -0.09 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.67 3i22 n LEU 31 Cb 0.99 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.96 3i22 n LEU 31 CO 0.54 0.00 -1.08 0.00 -1.33 0.00 0.00 177.39 175.52 3i22 n ALA 32 N -0.59 1.12 0.31 -1.18 0.00 -1.16 -2.76 120.51 116.24 3i22 n ALA 32 Ca 0.01 -0.85 0.14 0.00 0.00 0.00 0.00 53.44 52.74 3i22 n ALA 32 Cb 0.01 -0.30 0.42 0.00 0.00 0.00 0.00 19.45 19.58 3i22 n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i22 h ARG 33 N -0.36 0.00 -0.05 0.00 -0.00 -1.64 -2.39 114.38 109.95 3i22 h ARG 33 Ca -0.52 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 58.94 3i22 h ARG 33 Cb 1.78 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.75 3i22 h ARG 33 CO -0.13 0.00 -0.04 0.00 0.00 0.00 0.00 179.97 179.80 3i22 h ARG 34 N 0.00 0.10 0.00 0.04 2.47 -1.45 -2.61 114.38 112.94 3i22 h ARG 34 Ca 0.00 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 3i22 h ARG 34 Cb 0.72 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.04 3i22 h ARG 34 CO 0.00 0.54 -0.28 0.00 0.56 0.00 0.00 179.97 180.79 3i22 h ARG 35 N -0.33 0.00 0.00 0.04 3.08 -1.56 -0.37 114.38 115.25 3i22 h ARG 35 Ca 0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 3i22 h ARG 35 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 3i22 h ARG 35 CO 0.01 0.00 -0.19 0.00 -1.07 0.00 0.00 179.97 178.72 3i22 h ALA 36 N 2.01 1.05 -0.00 0.04 0.00 -1.46 0.29 119.26 121.19 3i22 h ALA 36 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3i22 h ALA 36 Cb 0.99 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3i22 h ALA 36 CO 0.00 0.24 -0.68 1.63 0.00 0.00 0.00 179.25 180.44 3i22 n LYS 37 N -3.39 0.08 0.00 0.00 5.02 -0.99 -4.99 118.16 113.89 3i22 n LYS 37 Ca -0.00 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 3i22 n LYS 37 Cb 0.39 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 3i22 n LYS 37 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i22 n GLY 38 N 1.49 1.47 2.14 0.72 0.00 0.09 -4.86 105.19 106.24 3i22 n GLY 38 Ca 0.05 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.41 3i22 n GLY 38 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i22 n ARG 39 N 0.00 -4.51 0.00 1.61 3.00 -1.25 -4.29 116.66 111.22 3i22 n ARG 39 Ca 0.00 3.33 0.00 0.00 -0.00 0.00 0.00 57.85 61.18 3i22 n ARG 39 Cb 0.00 -4.12 0.00 0.00 0.00 0.00 0.00 32.46 28.34 3i22 n ARG 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i22 n ALA 40 N 1.58 0.00 -2.57 5.13 0.00 -1.26 -3.26 120.51 120.13 3i22 n ALA 40 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 3i22 n ALA 40 Cb 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 19.45 19.61 3i22 n ALA 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i22 s ARG 41 N -0.84 3.55 0.63 0.00 0.52 -1.26 -4.85 118.95 116.69 3i22 s ARG 41 Ca 0.00 -1.03 0.41 0.00 -0.52 0.00 0.00 55.73 54.59 3i22 s ARG 41 Cb 0.00 -5.22 2.08 0.00 0.52 0.00 0.00 34.95 32.33 3i22 s ARG 41 CO 0.00 -2.20 2.25 1.25 0.02 0.00 0.00 175.30 176.62 3i22 h LEU 42 N 12.79 0.00 -0.01 2.53 5.85 -1.84 -3.33 115.31 131.29 3i22 h LEU 42 Ca 0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3i22 h LEU 42 Cb 1.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.04 3i22 h LEU 42 CO 1.41 0.00 0.00 1.07 -0.34 0.00 0.00 178.44 180.58 3i22 n THR 43 N -3.09 0.00 -3.52 1.05 5.66 -1.26 -5.03 114.28 108.09 3i22 n THR 43 Ca -0.02 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.76 3i22 n THR 43 Cb 0.15 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.87 3i22 n THR 43 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 3i22 n VAL 44 N 0.00 -0.36 1.77 1.08 0.24 -1.25 -4.71 118.33 115.09 3i22 n VAL 44 Ca 0.00 -0.18 0.06 0.00 -2.04 0.00 0.00 64.34 62.19 3i22 n VAL 44 Cb 0.41 -0.49 0.33 0.00 -1.47 0.00 0.00 33.84 32.62 3i22 n VAL 44 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3i22 n SER 45 N -1.47 0.45 -0.48 -1.34 3.41 -1.26 -5.05 113.62 107.88 3i22 n SER 45 Ca -0.09 -1.69 0.06 0.00 -0.26 0.00 0.00 58.87 56.90 3i22 n SER 45 Cb 0.37 -0.04 0.05 0.00 -0.26 0.00 0.00 64.21 64.33 3i22 n SER 45 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17