#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 -1.36 -2.20 -1.46 5.12 -1.26 -4.68 116.66 110.82 3i22 n ARG 2 Ca 0.00 0.01 -0.31 0.00 -1.93 0.00 0.00 57.85 55.62 3i22 n ARG 2 Cb 0.00 -1.25 -0.04 0.00 -1.16 0.00 0.00 32.46 30.00 3i22 n ARG 2 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3i22 s VAL 3 N -0.86 3.61 -0.29 1.55 -7.23 -1.26 -4.53 120.40 111.38 3i22 s VAL 3 Ca 0.07 -0.60 0.07 0.00 -1.81 0.00 0.00 61.98 59.71 3i22 s VAL 3 Cb -0.04 -4.38 0.07 0.00 0.56 0.00 0.00 36.38 32.59 3i22 s VAL 3 CO 0.08 -1.24 1.09 0.00 -0.31 0.00 0.00 175.10 174.72 3i22 n GLN 5 N -1.72 0.00 0.14 0.00 -0.06 -1.24 -3.92 117.38 110.58 3i22 n GLN 5 Ca -0.00 0.00 -0.13 0.00 -2.00 0.00 0.00 57.00 54.87 3i22 n GLN 5 Cb 0.24 0.00 -0.08 0.00 -4.06 0.00 0.00 30.24 26.34 3i22 n GLN 5 CO 0.00 0.00 0.00 -0.24 -0.20 0.00 0.00 177.06 176.62 3i22 h VAL 6 N 0.00 0.73 -0.01 1.69 3.04 -1.86 -3.36 116.25 116.48 3i22 h VAL 6 Ca 0.00 -0.65 0.00 0.00 -1.01 0.00 0.00 66.70 65.04 3i22 h VAL 6 Cb 0.00 1.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.34 3i22 h VAL 6 CO 0.00 0.13 -0.10 0.35 -1.01 0.00 0.00 177.57 176.94 3i22 n THR 7 N -5.11 0.00 -1.67 3.17 -2.24 -1.25 -5.00 114.28 102.18 3i22 n THR 7 Ca -0.09 -0.45 -0.17 0.00 -2.27 0.00 0.00 64.05 61.06 3i22 n THR 7 Cb 0.26 1.15 -0.06 0.00 -2.10 0.00 0.00 70.33 69.58 3i22 n THR 7 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i22 n GLY 8 N 0.70 1.29 3.77 3.38 0.00 -1.26 -4.96 105.19 108.11 3i22 n GLY 8 Ca 0.05 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 3i22 n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i22 s LYS 9 N -3.76 4.26 0.16 1.61 1.02 -1.26 -4.73 119.74 117.04 3i22 s LYS 9 Ca 0.00 2.24 0.03 0.00 0.02 0.00 0.00 55.97 58.26 3i22 s LYS 9 Cb 0.00 -3.00 -0.05 0.00 -0.52 0.00 0.00 37.83 34.26 3i22 s LYS 9 CO 0.00 -0.28 -0.05 1.03 -0.92 0.00 0.00 175.35 175.13 3i22 s ARG 10 N -1.91 1.07 0.02 1.68 0.52 -1.26 -3.53 118.95 115.54 3i22 s ARG 10 Ca 0.51 -1.48 -0.30 0.00 -0.52 0.00 0.00 55.73 53.93 3i22 s ARG 10 Cb -0.40 -0.44 -0.08 0.00 0.52 0.00 0.00 34.95 34.55 3i22 s ARG 10 CO 0.53 -0.03 1.91 -1.25 0.02 0.00 0.00 175.30 176.49 3i22 s PRO 11 N -3.83 4.15 -0.07 3.54 0.04 -1.26 -4.69 135.00 132.88 3i22 s PRO 11 Ca 0.19 2.54 0.05 0.00 0.04 0.00 0.00 61.00 63.82 3i22 s PRO 11 Cb 0.05 -4.13 -0.01 0.00 0.04 0.00 0.00 34.50 30.45 3i22 s PRO 11 CO 0.02 -0.94 -0.23 0.14 0.04 0.00 0.00 177.00 176.03 3i22 s VAL 12 N 4.37 2.17 -0.13 -0.36 -7.23 -0.74 -5.01 120.40 113.48 3i22 s VAL 12 Ca 0.86 -1.01 -0.22 0.00 -1.81 0.00 0.00 61.98 59.79 3i22 s VAL 12 Cb -0.41 -1.81 -0.03 0.00 0.56 0.00 0.00 36.38 34.69 3i22 s VAL 12 CO 0.39 0.57 0.68 0.42 -0.31 0.00 0.00 175.10 176.85 3i22 s THR 13 N -0.04 5.02 0.00 5.32 -4.23 -1.26 -0.86 115.64 119.60 3i22 s THR 13 Ca -0.07 1.34 0.00 0.00 -1.18 0.00 0.00 61.69 61.78 3i22 s THR 13 Cb -0.15 -4.00 0.00 0.00 1.34 0.00 0.00 72.50 69.69 3i22 s THR 13 CO 0.05 0.18 0.00 0.61 -0.54 0.00 0.00 174.62 174.91 3i22 n GLY 14 N 3.41 5.45 3.24 3.99 0.00 -1.26 -4.86 105.19 115.16 3i22 n GLY 14 Ca -0.01 -1.42 -0.25 0.00 0.00 0.00 0.00 46.02 44.34 3i22 n GLY 14 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i22 s ASN 15 N 1.00 2.38 -0.05 1.61 0.01 -1.26 -1.12 114.94 117.51 3i22 s ASN 15 Ca 0.00 -0.53 -0.16 0.00 -0.71 0.00 0.00 52.86 51.45 3i22 s ASN 15 Cb 0.00 -0.19 -0.11 0.00 0.41 0.00 0.00 41.25 41.37 3i22 s ASN 15 CO 0.00 0.13 0.68 0.78 -1.51 0.00 0.00 177.10 177.18 3i22 h ASN 16 N 4.79 -0.32 -5.33 -1.22 2.35 -1.84 -3.42 115.58 110.59 3i22 h ASN 16 Ca -0.42 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.19 3i22 h ASN 16 Cb 1.16 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.61 3i22 h ASN 16 CO 0.43 0.17 -1.02 0.54 -1.65 0.00 0.00 177.43 175.90 3i22 n ARG 17 N -5.02 -3.08 -0.77 0.81 5.12 -1.25 -5.00 116.66 107.47 3i22 n ARG 17 Ca -0.07 2.53 -0.11 0.00 -1.93 0.00 0.00 57.85 58.27 3i22 n ARG 17 Cb 0.22 -4.70 0.08 0.00 -1.16 0.00 0.00 32.46 26.90 3i22 n ARG 17 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3i22 n SER 18 N 0.86 0.05 -4.73 0.55 3.41 -1.23 -4.93 113.62 107.61 3i22 n SER 18 Ca -0.02 -1.20 -0.30 0.00 -0.26 0.00 0.00 58.87 57.09 3i22 n SER 18 Cb 0.11 -0.39 0.12 0.00 -0.26 0.00 0.00 64.21 63.79 3i22 n SER 18 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3i22 s HIS 19 N -2.10 2.37 0.00 7.33 0.09 -1.26 -2.32 115.29 119.39 3i22 s HIS 19 Ca 0.29 1.40 0.00 0.00 -0.00 0.00 0.00 55.06 56.76 3i22 s HIS 19 Cb -0.01 -3.12 0.00 0.00 -0.00 0.00 0.00 32.58 29.45 3i22 s HIS 19 CO 0.21 -2.21 0.00 0.00 -0.00 0.00 0.00 174.74 172.74 3i22 n ALA 20 N -3.78 0.00 -0.87 -1.40 0.00 -1.26 -4.09 120.51 109.10 3i22 n ALA 20 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3i22 n ALA 20 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3i22 n ALA 20 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i22 n LEU 21 N 0.00 -0.10 -4.58 0.00 4.77 -0.98 -5.00 117.00 111.11 3i22 n LEU 21 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.57 3i22 n LEU 21 Cb 0.00 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 40.68 3i22 n LEU 21 CO 0.00 0.00 1.72 0.20 -1.33 0.00 0.00 177.39 177.98 3i22 s ASN 22 N -2.77 5.40 -0.13 -1.43 0.01 -1.26 -4.72 114.94 110.04 3i22 s ASN 22 Ca 0.00 1.24 -0.23 0.00 -0.71 0.00 0.00 52.86 53.16 3i22 s ASN 22 Cb 0.00 -2.52 -0.03 0.00 0.41 0.00 0.00 41.25 39.12 3i22 s ASN 22 CO 0.00 -2.11 0.72 0.00 -1.51 0.00 0.00 177.10 174.21 3i22 s ALA 23 N 8.61 3.45 -0.21 0.60 0.00 -1.26 -3.56 121.76 129.39 3i22 s ALA 23 Ca 0.86 -0.01 -0.04 0.00 0.00 0.00 0.00 51.96 52.78 3i22 s ALA 23 Cb -0.22 -3.04 0.09 0.00 0.00 0.00 0.00 23.12 19.95 3i22 s ALA 23 CO 0.30 -0.39 0.21 0.95 0.00 0.00 0.00 175.76 176.83 3i22 s THR 24 N 1.51 -0.30 -0.14 0.00 -4.23 -1.26 -4.96 115.64 106.28 3i22 s THR 24 Ca 0.35 -0.16 -0.13 0.00 -1.18 0.00 0.00 61.69 60.57 3i22 s THR 24 Cb -0.17 -0.70 -0.06 0.00 1.34 0.00 0.00 72.50 72.92 3i22 s THR 24 CO 0.14 -0.25 0.44 0.29 -0.54 0.00 0.00 174.62 174.71 3i22 n LYS 25 N 5.31 0.00 -0.08 3.99 4.76 -1.26 -3.16 118.16 127.72 3i22 n LYS 25 Ca -0.05 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.29 3i22 n LYS 25 Cb 0.49 -0.42 -0.10 0.00 -1.84 0.00 0.00 35.03 33.16 3i22 n LYS 25 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 3i22 n ARG 26 N 1.09 1.09 -1.65 1.97 1.85 -0.28 -4.76 116.66 115.97 3i22 n ARG 26 Ca 0.09 0.05 -0.00 0.00 -1.00 0.00 0.00 57.85 56.98 3i22 n ARG 26 Cb -0.02 -1.37 -0.00 0.00 -1.05 0.00 0.00 32.46 30.02 3i22 n ARG 26 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3i22 n ARG 27 N -2.77 -2.26 -2.63 2.89 0.63 -1.24 -4.88 116.66 106.39 3i22 n ARG 27 Ca -0.28 1.93 -0.25 0.00 -0.92 0.00 0.00 57.85 58.33 3i22 n ARG 27 Cb 0.91 -2.43 0.02 0.00 0.45 0.00 0.00 32.46 31.41 3i22 n ARG 27 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3i22 s PHE 28 N -0.27 3.22 0.18 -0.14 0.40 -0.03 -4.86 117.98 116.47 3i22 s PHE 28 Ca -0.02 0.45 -0.23 0.00 -0.60 0.00 0.00 56.93 56.53 3i22 s PHE 28 Cb 0.00 -2.58 0.07 0.00 0.51 0.00 0.00 43.02 41.02 3i22 s PHE 28 CO 0.05 -0.66 1.00 -0.48 0.70 0.00 0.00 175.22 175.83 3i22 s LEU 29 N -4.82 -0.07 0.13 -0.37 0.05 -1.26 -1.80 118.68 110.55 3i22 s LEU 29 Ca 0.52 -0.58 0.04 0.00 0.05 0.00 0.00 54.13 54.16 3i22 s LEU 29 Cb -0.10 2.15 -0.04 0.00 -2.05 0.00 0.00 46.19 46.15 3i22 s LEU 29 CO 0.42 -0.99 0.11 -2.16 -0.55 0.00 0.00 176.35 173.19 3i22 s PRO 30 N -2.64 2.89 -0.59 1.48 0.04 -1.26 -5.02 135.00 129.89 3i22 s PRO 30 Ca 0.17 -0.80 -0.25 0.00 0.04 0.00 0.00 61.00 60.16 3i22 s PRO 30 Cb -0.02 -2.67 0.04 0.00 0.04 0.00 0.00 34.50 31.89 3i22 s PRO 30 CO 0.04 0.52 1.02 0.54 0.04 0.00 0.00 177.00 179.16 3i22 s ASN 31 N -2.82 6.32 -0.16 6.66 6.03 -1.26 -5.02 114.94 124.70 3i22 s ASN 31 Ca 0.30 -0.36 -0.01 0.00 -1.03 0.00 0.00 52.86 51.76 3i22 s ASN 31 Cb -0.11 -2.47 -0.01 0.00 -3.03 0.00 0.00 41.25 35.63 3i22 s ASN 31 CO 0.23 -1.36 -0.10 -0.76 -2.03 0.00 0.00 177.10 173.07 3i22 s LEU 32 N 4.33 2.80 -0.10 3.54 2.01 -1.26 -4.19 118.68 125.81 3i22 s LEU 32 Ca 0.32 -0.33 0.07 0.00 0.01 0.00 0.00 54.13 54.20 3i22 s LEU 32 Cb -0.12 -1.66 0.16 0.00 0.01 0.00 0.00 46.19 44.59 3i22 s LEU 32 CO 0.19 0.12 1.16 0.00 1.01 0.00 0.00 176.35 178.83 3i22 n HIS 33 N 3.86 -0.49 -1.47 0.29 1.44 -1.26 -5.02 115.22 112.58 3i22 n HIS 33 Ca -0.18 -0.88 0.19 0.00 -2.01 0.00 0.00 57.72 54.84 3i22 n HIS 33 Cb 0.52 0.69 -0.07 0.00 0.12 0.00 0.00 29.99 31.26 3i22 n HIS 33 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 3i22 n SER 34 N -0.38 -8.77 0.00 4.39 7.64 -1.26 -4.99 113.62 110.24 3i22 n SER 34 Ca -0.21 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.73 3i22 n SER 34 Cb 0.79 -4.76 0.00 0.00 -1.01 0.00 0.00 64.21 59.23 3i22 n SER 34 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 3i22 n HIS 35 N -4.33 0.00 -2.94 1.43 -0.00 -1.25 -4.77 115.22 103.35 3i22 n HIS 35 Ca -0.04 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.28 3i22 n HIS 35 Cb 0.69 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.63 3i22 n HIS 35 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 3i22 s ARG 36 N 0.00 4.50 0.01 1.57 0.52 -1.26 -1.19 118.95 123.10 3i22 s ARG 36 Ca 0.00 1.09 0.05 0.00 -0.52 0.00 0.00 55.73 56.35 3i22 s ARG 36 Cb 0.00 -3.40 -0.03 0.00 0.52 0.00 0.00 34.95 32.04 3i22 s ARG 36 CO 0.00 0.18 -0.14 -0.06 0.02 0.00 0.00 175.30 175.30 3i22 s PHE 37 N 0.30 2.69 -0.09 -0.53 0.08 0.37 -4.89 117.98 115.92 3i22 s PHE 37 Ca 0.41 -0.17 -0.15 0.00 0.12 0.00 0.00 56.93 57.14 3i22 s PHE 37 Cb -0.20 -1.55 -0.05 0.00 -0.57 0.00 0.00 43.02 40.65 3i22 s PHE 37 CO 0.23 0.27 0.37 -0.46 -0.10 0.00 0.00 175.22 175.53 3i22 s TRP 38 N -0.90 3.57 -0.03 0.36 -0.00 -1.26 -0.62 118.94 120.05 3i22 s TRP 38 Ca 0.15 0.80 0.07 0.00 -0.00 0.00 0.00 56.10 57.11 3i22 s TRP 38 Cb -0.11 -2.36 -0.10 0.00 -0.00 0.00 0.00 33.47 30.90 3i22 s TRP 38 CO 0.05 0.38 0.10 1.33 -0.00 0.00 0.00 176.95 178.81 3i22 n VAL 39 N 2.95 0.20 0.00 5.86 0.24 -1.16 -4.99 118.33 121.43 3i22 n VAL 39 Ca -0.12 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 3i22 n VAL 39 Cb 0.52 -0.16 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 3i22 n VAL 39 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i22 n GLU 40 N -1.96 0.00 0.00 7.34 -0.58 -1.26 -4.50 120.64 119.68 3i22 n GLU 40 Ca -0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 3i22 n GLU 40 Cb 0.42 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.29 3i22 n GLU 40 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3i22 n SER 41 N 1.20 0.00 0.05 1.62 7.64 -1.26 0.60 113.62 123.47 3i22 n SER 41 Ca 0.00 0.44 0.07 0.00 1.01 0.00 0.00 58.87 60.39 3i22 n SER 41 Cb 0.00 0.00 0.31 0.00 -1.01 0.00 0.00 64.21 63.51 3i22 n SER 41 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 3i22 n GLU 42 N -0.91 0.06 -3.15 1.43 2.13 -1.26 -4.86 120.64 114.08 3i22 n GLU 42 Ca 0.00 0.41 -0.15 0.00 0.66 0.00 0.00 57.16 58.08 3i22 n GLU 42 Cb 0.00 -1.65 0.06 0.00 0.27 0.00 0.00 31.44 30.12 3i22 n GLU 42 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 3i22 n LYS 43 N -1.77 -5.21 -3.90 5.31 3.00 0.20 -5.02 118.16 110.77 3i22 n LYS 43 Ca 0.02 0.60 -0.08 0.00 -0.00 0.00 0.00 58.31 58.84 3i22 n LYS 43 Cb 0.12 -4.91 -0.02 0.00 0.00 0.00 0.00 35.03 30.22 3i22 n LYS 43 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 3i22 s ARG 44 N -5.44 1.82 -0.25 1.64 1.70 -1.26 -4.93 118.95 112.23 3i22 s ARG 44 Ca 0.21 -1.19 -0.17 0.00 -0.47 0.00 0.00 55.73 54.10 3i22 s ARG 44 Cb -0.09 0.57 -0.03 0.00 -0.57 0.00 0.00 34.95 34.83 3i22 s ARG 44 CO 0.52 -0.82 0.48 -0.06 -1.08 0.00 0.00 175.30 174.34 3i22 s PHE 45 N -3.58 3.28 -0.25 5.89 2.99 -1.26 -3.00 117.98 122.05 3i22 s PHE 45 Ca 0.16 0.61 -0.03 0.00 0.00 0.00 0.00 56.93 57.67 3i22 s PHE 45 Cb -0.04 -2.67 0.02 0.00 0.00 0.00 0.00 43.02 40.32 3i22 s PHE 45 CO 0.09 -0.23 -0.03 0.14 -0.00 0.00 0.00 175.22 175.19 3i22 s VAL 46 N 2.12 3.19 -0.18 -0.44 -7.23 0.21 -4.82 120.40 113.25 3i22 s VAL 46 Ca 0.20 -0.86 -0.19 0.00 -1.81 0.00 0.00 61.98 59.32 3i22 s VAL 46 Cb -0.16 -2.60 -0.03 0.00 0.56 0.00 0.00 36.38 34.15 3i22 s VAL 46 CO 0.09 0.21 0.52 0.28 -0.31 0.00 0.00 175.10 175.89 3i22 s THR 47 N 1.39 5.11 -0.10 5.32 -1.32 -1.26 -0.48 115.64 124.31 3i22 s THR 47 Ca 0.02 0.98 -0.02 0.00 -1.21 0.00 0.00 61.69 61.46 3i22 s THR 47 Cb -0.16 -3.85 0.03 0.00 -1.51 0.00 0.00 72.50 67.01 3i22 s THR 47 CO -0.03 0.20 -0.00 -0.76 -2.21 0.00 0.00 174.62 171.82 3i22 s LEU 48 N 1.48 0.75 -0.78 9.08 1.43 -0.33 -4.85 118.68 125.46 3i22 s LEU 48 Ca 0.25 -0.23 -0.24 0.00 -1.03 0.00 0.00 54.13 52.87 3i22 s LEU 48 Cb -0.15 -0.51 -0.16 0.00 0.03 0.00 0.00 46.19 45.40 3i22 s LEU 48 CO 0.10 -0.21 2.39 0.54 0.23 0.00 0.00 176.35 179.41 3i22 n ARG 49 N 5.11 0.55 -1.07 1.70 1.74 -1.26 -3.83 116.66 119.59 3i22 n ARG 49 Ca -0.08 -0.62 0.00 0.00 -0.77 0.00 0.00 57.85 56.38 3i22 n ARG 49 Cb 0.50 -3.30 0.00 0.00 -1.02 0.00 0.00 32.46 28.63 3i22 n ARG 49 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3i22 n VAL 50 N 8.28 0.00 -4.35 1.55 0.24 -1.26 -3.68 118.33 119.12 3i22 n VAL 50 Ca 0.49 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.61 3i22 n VAL 50 Cb 0.40 -0.36 -0.10 0.00 -1.47 0.00 0.00 33.84 32.31 3i22 n VAL 50 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3i22 s SER 51 N -0.56 1.60 0.44 -1.34 1.04 -1.26 -4.08 113.70 109.55 3i22 s SER 51 Ca 0.00 -1.34 -0.24 0.00 0.48 0.00 0.00 55.95 54.85 3i22 s SER 51 Cb 0.00 0.07 -0.08 0.00 0.10 0.00 0.00 66.02 66.11 3i22 s SER 51 CO 0.00 -0.65 1.28 0.00 0.98 0.00 0.00 173.24 174.85 3i22 s ALA 52 N -3.57 3.10 0.00 5.32 0.00 -1.26 0.31 121.76 125.66 3i22 s ALA 52 Ca 0.35 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.48 3i22 s ALA 52 Cb 0.08 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.72 3i22 s ALA 52 CO 0.13 -0.88 0.00 1.17 0.00 0.00 0.00 175.76 176.18 3i22 n LYS 53 N -0.24 0.00 0.00 0.00 0.00 -1.26 -4.45 118.16 112.21 3i22 n LYS 53 Ca 0.06 0.00 0.06 0.00 0.00 0.00 0.00 58.31 58.43 3i22 n LYS 53 Cb 0.45 -0.06 0.30 0.00 0.00 0.00 0.00 35.03 35.72 3i22 n LYS 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i22 n GLY 54 N 0.00 -0.83 0.26 3.14 0.00 -0.11 0.10 105.19 107.75 3i22 n GLY 54 Ca 0.00 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 3i22 n GLY 54 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3i22 n MET 55 N -1.40 0.35 0.09 1.61 2.81 0.15 -4.27 117.12 116.45 3i22 n MET 55 Ca 0.04 0.11 0.21 0.00 -1.81 0.00 0.00 57.70 56.25 3i22 n MET 55 Cb 0.13 -1.19 0.72 0.00 -0.71 0.00 0.00 33.22 32.17 3i22 n MET 55 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 3i22 h ARG 56 N -0.23 0.00 0.14 0.03 2.43 -1.57 0.58 114.38 115.76 3i22 h ARG 56 Ca -0.35 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.50 3i22 h ARG 56 Cb 1.43 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.98 3i22 h ARG 56 CO -0.13 0.00 -1.57 -0.24 -1.51 0.00 0.00 179.97 176.52 3i22 h VAL 57 N 0.00 1.12 0.00 0.20 3.04 0.42 -3.10 116.25 117.93 3i22 h VAL 57 Ca 0.20 -2.74 -0.05 0.00 -1.01 0.00 0.00 66.70 63.11 3i22 h VAL 57 Cb 1.22 2.77 -0.01 0.00 -2.01 0.00 0.00 31.29 33.26 3i22 h VAL 57 CO -0.00 0.82 -0.24 0.40 -1.01 0.00 0.00 177.57 177.54 3i22 h ILE 58 N 0.08 0.66 0.00 3.17 2.04 -0.36 0.10 117.51 123.20 3i22 h ILE 58 Ca -0.26 -1.06 -0.03 0.00 1.00 0.00 0.00 64.86 64.50 3i22 h ILE 58 Cb 2.04 1.69 -0.00 0.00 -0.74 0.00 0.00 36.82 39.80 3i22 h ILE 58 CO 0.17 0.23 -0.16 0.44 0.00 0.00 0.00 178.15 178.83 3i22 h ASP 59 N 0.00 0.00 0.00 1.72 3.32 -0.11 -3.03 116.42 118.32 3i22 h ASP 59 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i22 h ASP 59 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 3i22 h ASP 59 CO 0.03 0.16 0.00 1.17 -1.72 0.00 0.00 179.24 178.88 3i22 n LYS 60 N -3.24 0.00 -0.27 3.56 4.81 -0.82 -4.69 118.16 117.51 3i22 n LYS 60 Ca 0.01 0.00 0.25 0.00 -0.87 0.00 0.00 58.31 57.71 3i22 n LYS 60 Cb 0.46 0.00 0.47 0.00 0.02 0.00 0.00 35.03 35.98 3i22 n LYS 60 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3i22 n LYS 61 N -0.93 -0.05 0.00 1.64 5.02 -0.04 -4.80 118.16 119.00 3i22 n LYS 61 Ca 0.00 1.19 0.00 0.00 -2.02 0.00 0.00 58.31 57.48 3i22 n LYS 61 Cb 0.00 -2.10 0.00 0.00 -0.02 0.00 0.00 35.03 32.91 3i22 n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i22 n GLY 62 N -1.25 3.58 0.00 0.72 0.00 -1.15 -4.60 105.19 102.49 3i22 n GLY 62 Ca 0.31 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.84 3i22 n GLY 62 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3i22 n ILE 63 N 0.06 0.00 -0.22 -0.61 -6.64 -1.19 0.08 119.36 110.84 3i22 n ILE 63 Ca 0.00 1.00 -0.08 0.00 -1.77 0.00 0.00 62.75 61.90 3i22 n ILE 63 Cb 0.00 -1.34 0.03 0.00 -1.44 0.00 0.00 39.64 36.89 3i22 n ILE 63 CO 0.00 0.00 0.00 0.44 -1.77 0.00 0.00 176.55 175.22 3i22 h ASP 64 N 0.00 0.93 -0.99 7.28 3.32 -1.93 -2.05 116.42 122.97 3i22 h ASP 64 Ca 0.00 -0.22 0.12 0.00 0.02 0.00 0.00 57.03 56.95 3i22 h ASP 64 Cb 0.00 -0.24 -0.08 0.00 0.22 0.00 0.00 39.33 39.22 3i22 h ASP 64 CO 0.00 0.90 0.63 0.74 -1.72 0.00 0.00 179.24 179.79 3i22 h THR 65 N 0.91 0.92 0.00 0.35 2.02 -1.62 0.72 112.91 116.21 3i22 h THR 65 Ca 0.20 -0.33 -0.05 0.00 0.77 0.00 0.00 66.41 66.99 3i22 h THR 65 Cb 0.32 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 3i22 h THR 65 CO -0.00 0.18 -0.26 0.58 0.37 0.00 0.00 175.52 176.38 3i22 h VAL 66 N 0.96 0.61 -0.33 3.16 2.07 0.06 -0.02 116.25 122.77 3i22 h VAL 66 Ca 0.49 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.76 3i22 h VAL 66 Cb 0.50 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 3i22 h VAL 66 CO -0.25 0.26 0.00 0.18 0.02 0.00 0.00 177.57 177.77 3i22 n LEU 67 N -3.39 1.95 0.04 2.57 4.77 0.20 -3.84 117.00 119.29 3i22 n LEU 67 Ca 0.00 -0.94 -0.10 0.00 -0.03 0.00 0.00 56.01 54.95 3i22 n LEU 67 Cb 0.46 -0.22 -0.07 0.00 -2.33 0.00 0.00 43.42 41.27 3i22 n LEU 67 CO 0.34 0.47 0.34 0.00 -1.33 0.00 0.00 177.39 177.21 3i22 h ALA 68 N 3.79 -0.19 -3.00 -1.18 0.00 0.19 -3.40 119.26 115.46 3i22 h ALA 68 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3i22 h ALA 68 Cb 0.50 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3i22 h ALA 68 CO 0.00 -0.25 0.00 0.39 0.00 0.00 0.00 179.25 179.39 3i22 n GLU 69 N -4.89 0.65 0.00 0.00 4.71 -1.25 -2.65 120.64 117.21 3i22 n GLU 69 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.08 3i22 n GLU 69 Cb 0.25 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.68 3i22 n GLU 69 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3i22 n LEU 70 N 0.00 0.00 0.23 -4.62 4.77 -1.26 -2.78 117.00 113.34 3i22 n LEU 70 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 3i22 n LEU 70 Cb 0.00 0.00 0.50 0.00 -2.33 0.00 0.00 43.42 41.59 3i22 n LEU 70 CO 0.00 0.00 0.85 -0.09 -1.33 0.00 0.00 177.39 176.82 3i22 h ARG 71 N 0.00 0.00 0.00 3.23 2.43 -1.78 1.60 114.38 119.87 3i22 h ARG 71 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3i22 h ARG 71 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3i22 h ARG 71 CO 0.00 0.17 0.00 0.00 -1.51 0.00 0.00 179.97 178.63 3i22 n ALA 72 N -2.19 2.27 -0.80 2.80 0.00 -1.09 -2.34 120.51 119.16 3i22 n ALA 72 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3i22 n ALA 72 Cb 0.40 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3i22 n ALA 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i22 n ARG 73 N -0.89 -0.07 -2.19 0.00 3.00 0.31 -5.03 116.66 111.79 3i22 n ARG 73 Ca 0.13 -0.07 -0.06 0.00 -0.01 0.00 0.00 57.85 57.84 3i22 n ARG 73 Cb 0.06 -0.54 0.03 0.00 0.00 0.00 0.00 32.46 32.00 3i22 n ARG 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i22 n GLY 74 N 0.01 0.16 2.81 -0.13 0.00 0.51 -5.00 105.19 103.56 3i22 n GLY 74 Ca 0.00 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 3i22 n GLY 74 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i22 n GLU 75 N -2.12 3.77 0.00 1.61 1.02 0.98 -4.93 120.64 120.97 3i22 n GLU 75 Ca -0.04 -4.79 0.00 0.00 -0.02 0.00 0.00 57.16 52.32 3i22 n GLU 75 Cb 0.55 -2.31 0.00 0.00 -0.02 0.00 0.00 31.44 29.66 3i22 n GLU 75 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3i22 n LYS 76 N -0.01 0.00 -0.41 3.49 2.85 -1.26 -4.75 118.16 118.07 3i22 n LYS 76 Ca 0.35 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.61 3i22 n LYS 76 Cb 0.36 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.74 3i22 n LYS 76 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83