#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i22 n LEU 2 N 0.00 0.00 -3.63 4.03 4.32 -1.26 -4.87 117.00 115.59 3i22 n LEU 2 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 55.96 3i22 n LEU 2 Cb 0.00 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 41.76 3i22 n LEU 2 CO 0.00 0.00 1.10 0.00 -1.22 0.00 0.00 177.39 177.27 3i22 s GLN 3 N 0.00 0.15 0.13 3.23 -2.07 -1.26 -4.68 119.66 115.17 3i22 s GLN 3 Ca 0.00 0.02 -0.35 0.00 -1.82 0.00 0.00 55.36 53.21 3i22 s GLN 3 Cb 0.00 0.07 -0.15 0.00 -1.09 0.00 0.00 33.01 31.84 3i22 s GLN 3 CO 0.00 -0.05 1.46 -0.35 -1.32 0.00 0.00 175.29 175.03 3i22 n PRO 4 N 0.45 1.70 -0.19 9.60 -0.04 -1.26 -4.83 135.00 140.43 3i22 n PRO 4 Ca -0.01 0.61 0.08 0.00 -0.04 0.00 0.00 63.50 64.14 3i22 n PRO 4 Cb 0.58 -2.32 0.37 0.00 -0.04 0.00 0.00 33.50 32.09 3i22 n PRO 4 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3i22 h LYS 5 N 5.25 0.69 -3.90 0.54 1.63 -2.03 -3.43 116.57 115.32 3i22 h LYS 5 Ca -0.46 -0.04 -0.14 0.00 -0.85 0.00 0.00 60.65 59.16 3i22 h LYS 5 Cb 1.29 -0.16 -0.10 0.00 -0.60 0.00 0.00 32.23 32.67 3i22 h LYS 5 CO 0.83 0.46 -0.21 -0.98 -3.45 0.00 0.00 179.45 176.10 3i22 s ARG 6 N -5.65 1.59 -0.28 1.90 1.70 -1.26 -5.18 118.95 111.78 3i22 s ARG 6 Ca -0.10 -1.43 -0.19 0.00 -0.47 0.00 0.00 55.73 53.54 3i22 s ARG 6 Cb 0.20 0.44 0.09 0.00 -0.57 0.00 0.00 34.95 35.10 3i22 s ARG 6 CO 0.77 -0.64 0.74 0.99 -1.08 0.00 0.00 175.30 176.08 3i22 s THR 7 N -3.79 0.00 -1.98 4.99 2.01 -1.26 -5.02 115.64 110.59 3i22 s THR 7 Ca 0.27 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.27 3i22 s THR 7 Cb 0.01 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.52 3i22 s THR 7 CO 0.12 0.00 0.42 0.29 -0.69 0.00 0.00 174.62 174.76 3i22 n LYS 8 N 3.74 0.42 -3.51 4.92 4.01 -1.26 -4.38 118.16 122.10 3i22 n LYS 8 Ca -0.18 0.00 -0.05 0.00 -0.51 0.00 0.00 58.31 57.57 3i22 n LYS 8 Cb 0.58 -1.00 -0.07 0.00 -0.51 0.00 0.00 35.03 34.02 3i22 n LYS 8 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 3i22 s PHE 9 N -1.98 -1.02 0.05 2.13 0.08 -1.26 -5.07 117.98 110.91 3i22 s PHE 9 Ca 0.00 1.54 -0.25 0.00 0.12 0.00 0.00 56.93 58.33 3i22 s PHE 9 Cb 0.00 0.37 -0.17 0.00 -0.57 0.00 0.00 43.02 42.65 3i22 s PHE 9 CO 0.00 -0.63 1.55 0.00 -0.10 0.00 0.00 175.22 176.04 3i22 h ARG 10 N 8.12 -0.19 -6.01 0.44 2.47 -2.04 -3.44 114.38 113.73 3i22 h ARG 10 Ca -0.18 0.01 -0.56 0.00 -1.26 0.00 0.00 59.98 58.00 3i22 h ARG 10 Cb 1.13 0.04 -0.24 0.00 -1.65 0.00 0.00 29.97 29.24 3i22 h ARG 10 CO 0.17 -0.00 -0.83 0.15 0.56 0.00 0.00 179.97 180.02 3i22 s LYS 11 N -5.55 1.25 0.57 0.04 1.02 -1.26 -4.86 119.74 110.96 3i22 s LYS 11 Ca -0.14 -0.98 0.08 0.00 0.02 0.00 0.00 55.97 54.95 3i22 s LYS 11 Cb 0.04 -1.40 0.07 0.00 -0.52 0.00 0.00 37.83 36.03 3i22 s LYS 11 CO 0.64 0.35 0.68 -1.64 -0.92 0.00 0.00 175.35 174.46 3i22 s MET 12 N -1.38 2.28 0.00 1.68 -1.94 -1.26 -5.08 119.30 113.59 3i22 s MET 12 Ca 0.06 -1.76 0.00 0.00 -1.71 0.00 0.00 55.69 52.28 3i22 s MET 12 Cb -0.09 -2.48 0.00 0.00 2.01 0.00 0.00 34.83 34.27 3i22 s MET 12 CO 0.02 -0.80 0.12 0.72 -0.01 0.00 0.00 175.02 175.07 3i22 n HIS 13 N -2.11 0.00 0.00 -0.03 8.25 -1.26 -4.96 115.22 115.11 3i22 n HIS 13 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 3i22 n HIS 13 Cb 0.62 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.73 3i22 n HIS 13 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3i22 n LYS 14 N -0.26 0.00 0.00 -0.41 4.81 -1.26 -5.04 118.16 116.00 3i22 n LYS 14 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3i22 n LYS 14 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3i22 n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i22 n GLY 15 N -0.51 0.93 0.00 3.14 0.00 -1.26 -4.93 105.19 102.56 3i22 n GLY 15 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3i22 n GLY 15 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i22 n ARG 16 N 0.00 0.00 -1.00 1.61 1.85 -1.26 -5.16 116.66 112.70 3i22 n ARG 16 Ca 0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.51 3i22 n ARG 16 Cb 0.00 0.00 0.12 0.00 -1.05 0.00 0.00 32.46 31.53 3i22 n ARG 16 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3i22 n ASN 17 N 0.00 -0.51 -2.74 2.89 3.02 -1.26 -4.98 115.26 111.67 3i22 n ASN 17 Ca 0.00 0.49 -0.03 0.00 -0.03 0.00 0.00 54.58 55.02 3i22 n ASN 17 Cb 0.00 -1.35 0.08 0.00 -0.61 0.00 0.00 39.78 37.90 3i22 n ASN 17 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i22 n ARG 18 N -2.30 1.47 -1.12 3.52 5.12 -1.26 -5.15 116.66 116.94 3i22 n ARG 18 Ca 0.10 -2.56 0.14 0.00 -1.93 0.00 0.00 57.85 53.61 3i22 n ARG 18 Cb 0.51 -0.74 -0.06 0.00 -1.16 0.00 0.00 32.46 31.02 3i22 n ARG 18 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i22 n GLY 19 N -0.82 -2.67 1.75 -0.13 0.00 -1.26 -5.04 105.19 97.01 3i22 n GLY 19 Ca -0.02 -1.18 -0.01 0.00 0.00 0.00 0.00 46.02 44.82 3i22 n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i22 n LEU 20 N -3.89 -3.16 -4.57 0.99 7.99 -1.26 -5.00 117.00 108.09 3i22 n LEU 20 Ca -0.04 0.20 -0.30 0.00 -0.01 0.00 0.00 56.01 55.86 3i22 n LEU 20 Cb 0.53 -1.46 0.24 0.00 -0.11 0.00 0.00 43.42 42.62 3i22 n LEU 20 CO 0.02 -0.55 0.60 0.00 -1.51 0.00 0.00 177.39 175.96 3i22 s ALA 21 N -0.77 0.49 0.00 -1.18 0.00 -1.03 -5.00 121.76 114.28 3i22 s ALA 21 Ca 0.02 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.08 3i22 s ALA 21 Cb -0.01 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.21 3i22 s ALA 21 CO 0.15 -3.65 0.00 1.04 0.00 0.00 0.00 175.76 173.30 3i22 n GLN 22 N -4.81 1.75 -3.24 0.00 1.13 -1.26 -4.88 117.38 106.07 3i22 n GLN 22 Ca 0.13 0.00 -0.45 0.00 -1.94 0.00 0.00 57.00 54.74 3i22 n GLN 22 Cb 0.59 -0.87 0.00 0.00 0.11 0.00 0.00 30.24 30.07 3i22 n GLN 22 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i22 n GLY 23 N 1.91 4.08 0.00 1.08 0.00 -1.26 -4.86 105.19 106.14 3i22 n GLY 23 Ca 0.00 -2.47 0.00 0.00 0.00 0.00 0.00 46.02 43.55 3i22 n GLY 23 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i22 n THR 24 N 3.03 0.00 -0.48 2.61 -1.04 -1.26 -0.54 114.28 116.60 3i22 n THR 24 Ca 0.27 0.38 -0.29 0.00 -2.04 0.00 0.00 64.05 62.37 3i22 n THR 24 Cb 0.40 -1.25 0.26 0.00 -1.82 0.00 0.00 70.33 67.92 3i22 n THR 24 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3i22 n ASP 25 N -1.92 -1.99 -4.37 8.00 10.43 -1.26 -4.63 116.55 120.81 3i22 n ASP 25 Ca 0.00 -0.21 -0.45 0.00 2.57 0.00 0.00 54.79 56.70 3i22 n ASP 25 Cb 0.00 -1.21 -0.04 0.00 1.84 0.00 0.00 41.12 41.72 3i22 n ASP 25 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3i22 s VAL 26 N -2.36 5.04 -1.20 2.53 1.01 -1.26 -4.90 120.40 119.25 3i22 s VAL 26 Ca 0.67 -1.49 0.14 0.00 0.00 0.00 0.00 61.98 61.30 3i22 s VAL 26 Cb -0.24 -4.51 0.56 0.00 0.00 0.00 0.00 36.38 32.19 3i22 s VAL 26 CO 0.66 -1.13 1.43 -1.20 0.00 0.00 0.00 175.10 174.86 3i22 n SER 27 N 5.68 3.83 0.00 3.32 7.64 -1.26 -4.61 113.62 128.22 3i22 n SER 27 Ca 0.01 -2.36 0.00 0.00 1.01 0.00 0.00 58.87 57.52 3i22 n SER 27 Cb 0.44 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 3i22 n SER 27 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3i22 n PHE 28 N 0.81 -0.27 -2.42 1.43 3.72 -1.26 -5.13 117.46 114.33 3i22 n PHE 28 Ca 0.20 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.35 3i22 n PHE 28 Cb 0.73 0.49 0.13 0.00 -0.94 0.00 0.00 39.48 39.89 3i22 n PHE 28 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3i22 s GLY 29 N -3.63 1.76 0.00 1.37 0.00 -1.26 -5.01 107.32 100.55 3i22 s GLY 29 Ca 0.00 -1.61 0.24 0.00 0.00 0.00 0.00 44.72 43.36 3i22 s GLY 29 CO 0.00 -0.98 1.32 -1.14 0.00 0.00 0.00 173.10 172.29 3i22 n SER 30 N -3.08 1.43 -3.88 1.64 3.41 -1.21 -4.85 113.62 107.09 3i22 n SER 30 Ca 0.15 -1.13 -0.16 0.00 -0.26 0.00 0.00 58.87 57.47 3i22 n SER 30 Cb 0.60 0.34 -0.15 0.00 -0.26 0.00 0.00 64.21 64.74 3i22 n SER 30 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3i22 s PHE 31 N -2.55 0.37 0.24 7.33 0.40 -1.21 -3.38 117.98 119.19 3i22 s PHE 31 Ca 0.20 -0.05 0.04 0.00 -0.60 0.00 0.00 56.93 56.52 3i22 s PHE 31 Cb 0.18 -0.35 -0.01 0.00 0.51 0.00 0.00 43.02 43.35 3i22 s PHE 31 CO 0.57 -0.08 0.25 0.41 0.70 0.00 0.00 175.22 177.07 3i22 n GLY 32 N 3.62 2.98 2.88 4.36 0.00 -1.04 0.71 105.19 118.71 3i22 n GLY 32 Ca -0.21 -1.75 -0.28 0.00 0.00 0.00 0.00 46.02 43.78 3i22 n GLY 32 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i22 s LEU 33 N 0.00 1.66 0.55 0.99 0.20 -1.07 -2.05 118.68 118.97 3i22 s LEU 33 Ca 0.27 -0.72 -0.16 0.00 0.69 0.00 0.00 54.13 54.21 3i22 s LEU 33 Cb 0.01 -0.91 -0.06 0.00 -0.43 0.00 0.00 46.19 44.80 3i22 s LEU 33 CO 0.19 -0.20 1.01 -0.75 -0.29 0.00 0.00 176.35 176.31 3i22 s LYS 34 N 1.63 3.70 0.00 1.98 2.47 0.00 -0.52 119.74 129.00 3i22 s LYS 34 Ca 0.00 1.01 0.00 0.00 -1.56 0.00 0.00 55.97 55.42 3i22 s LYS 34 Cb -0.16 -2.10 0.00 0.00 -1.46 0.00 0.00 37.83 34.12 3i22 s LYS 34 CO -0.08 -0.48 0.29 0.00 0.16 0.00 0.00 175.35 175.24 3i22 n ALA 35 N -1.88 -0.01 -2.89 3.13 0.00 -0.79 -3.22 120.51 114.85 3i22 n ALA 35 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.46 3i22 n ALA 35 Cb 0.54 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.99 3i22 n ALA 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i22 n VAL 36 N -0.55-10.58 0.00 0.00 0.31 -1.26 -3.89 118.33 102.36 3i22 n VAL 36 Ca 0.00 0.47 0.00 0.00 -0.01 0.00 0.00 64.34 64.80 3i22 n VAL 36 Cb 0.00 -7.10 0.00 0.00 -0.91 0.00 0.00 33.84 25.83 3i22 n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i22 n GLY 37 N -0.84 3.81 3.57 2.92 0.00 -1.26 -4.37 105.19 109.02 3i22 n GLY 37 Ca 0.07 -1.75 -0.23 0.00 0.00 0.00 0.00 46.02 44.11 3i22 n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i22 s ARG 38 N -3.00 2.02 0.00 1.61 0.52 -1.26 -1.74 118.95 117.09 3i22 s ARG 38 Ca 0.00 -1.58 0.00 0.00 -0.52 0.00 0.00 55.73 53.63 3i22 s ARG 38 Cb 0.00 -1.98 0.00 0.00 0.52 0.00 0.00 34.95 33.49 3i22 s ARG 38 CO 0.00 0.34 0.00 0.41 0.02 0.00 0.00 175.30 176.07 3i22 n GLY 39 N -0.78 0.46 3.32 -3.53 0.00 -1.10 -4.89 105.19 98.68 3i22 n GLY 39 Ca -0.06 -1.81 -0.32 0.00 0.00 0.00 0.00 46.02 43.84 3i22 n GLY 39 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i22 s ARG 40 N -1.67 2.56 -0.29 1.61 1.70 -1.26 -2.47 118.95 119.12 3i22 s ARG 40 Ca 0.00 -0.85 -0.10 0.00 -0.47 0.00 0.00 55.73 54.31 3i22 s ARG 40 Cb 0.00 -2.22 -0.03 0.00 -0.57 0.00 0.00 34.95 32.13 3i22 s ARG 40 CO 0.00 0.43 0.15 -0.51 -1.08 0.00 0.00 175.30 174.30 3i22 s LEU 41 N -0.28 3.97 0.62 -1.89 1.02 -0.84 -4.91 118.68 116.38 3i22 s LEU 41 Ca 0.00 -0.29 -0.17 0.00 0.02 0.00 0.00 54.13 53.69 3i22 s LEU 41 Cb -0.13 -2.03 -0.02 0.00 0.02 0.00 0.00 46.19 44.03 3i22 s LEU 41 CO 0.03 -0.12 1.17 -0.89 0.02 0.00 0.00 176.35 176.56 3i22 s THR 42 N 1.67 2.80 0.43 5.49 2.01 -1.26 -1.30 115.64 125.47 3i22 s THR 42 Ca 0.06 0.45 0.15 0.00 0.31 0.00 0.00 61.69 62.66 3i22 s THR 42 Cb -0.16 -3.09 0.35 0.00 0.01 0.00 0.00 72.50 69.61 3i22 s THR 42 CO 0.07 -0.15 1.93 0.00 -0.69 0.00 0.00 174.62 175.78 3i22 h ALA 43 N 0.54 2.10 0.09 7.40 0.00 -1.82 -2.09 119.26 125.48 3i22 h ALA 43 Ca -0.49 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.28 3i22 h ALA 43 Cb 1.28 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.02 3i22 h ALA 43 CO 0.54 -0.29 -0.62 0.00 0.00 0.00 0.00 179.25 178.88 3i22 h ARG 44 N 0.42 0.18 -0.55 0.00 3.08 -1.89 -2.79 114.38 112.83 3i22 h ARG 44 Ca 0.36 -0.31 0.09 0.00 0.07 0.00 0.00 59.98 60.18 3i22 h ARG 44 Cb 0.80 0.12 -0.10 0.00 0.08 0.00 0.00 29.97 30.87 3i22 h ARG 44 CO -0.11 1.15 -0.42 1.96 -1.07 0.00 0.00 179.97 181.48 3i22 h GLN 45 N -0.60 -0.23 -0.24 0.04 4.20 -1.77 0.95 115.11 117.46 3i22 h GLN 45 Ca -0.12 0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.52 3i22 h GLN 45 Cb 1.43 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.25 3i22 h GLN 45 CO 0.08 -0.15 -0.23 -0.84 -0.67 0.00 0.00 178.83 177.01 3i22 h ILE 46 N -0.24 1.26 -0.18 2.54 3.07 -1.52 0.22 117.51 122.66 3i22 h ILE 46 Ca 0.18 -1.21 -0.20 0.00 1.55 0.00 0.00 64.86 65.18 3i22 h ILE 46 Cb 0.56 1.33 0.01 0.00 -0.27 0.00 0.00 36.82 38.45 3i22 h ILE 46 CO -0.66 0.38 -0.66 -0.08 -1.05 0.00 0.00 178.15 176.08 3i22 h GLU 47 N 0.40 0.76 -0.46 0.16 4.22 -0.94 -1.92 114.58 116.79 3i22 h GLU 47 Ca 0.06 -0.58 -0.11 0.00 0.08 0.00 0.00 59.36 58.81 3i22 h GLU 47 Cb 0.63 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 3i22 h GLU 47 CO 0.04 1.20 -0.17 0.00 -2.18 0.00 0.00 179.01 177.90 3i22 h ALA 48 N 0.57 0.83 0.00 2.92 0.00 0.11 -0.37 119.26 123.32 3i22 h ALA 48 Ca -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3i22 h ALA 48 Cb 1.29 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3i22 h ALA 48 CO 0.14 0.65 0.00 0.00 0.00 0.00 0.00 179.25 180.04 3i22 n ALA 49 N -2.50 1.87 0.01 0.00 0.00 0.76 -1.75 120.51 118.88 3i22 n ALA 49 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.23 3i22 n ALA 49 Cb 0.42 -1.37 -0.14 0.00 0.00 0.00 0.00 19.45 18.36 3i22 n ALA 49 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i22 h ARG 50 N 0.00 0.25 0.37 0.00 2.43 -0.90 -3.32 114.38 113.21 3i22 h ARG 50 Ca 0.00 -0.43 -0.02 0.00 -0.81 0.00 0.00 59.98 58.73 3i22 h ARG 50 Cb 0.42 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 3i22 h ARG 50 CO 0.00 1.20 -0.20 -0.09 -1.51 0.00 0.00 179.97 179.38 3i22 h ARG 51 N -0.23 -0.51 0.00 0.20 2.43 -0.64 -0.41 114.38 115.22 3i22 h ARG 51 Ca -0.34 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 3i22 h ARG 51 Cb 1.82 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.49 3i22 h ARG 51 CO 0.06 -0.34 0.00 0.00 -1.51 0.00 0.00 179.97 178.18 3i22 h ALA 52 N 0.09 1.00 0.00 2.80 0.00 -1.57 -2.52 119.26 119.07 3i22 h ALA 52 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3i22 h ALA 52 Cb 0.42 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.22 3i22 h ALA 52 CO 0.07 0.00 -0.28 1.98 0.00 0.00 0.00 179.25 181.02 3i22 h MET 53 N 0.00 0.18 0.00 0.00 1.85 -1.27 -3.27 114.93 112.43 3i22 h MET 53 Ca 0.00 -0.20 -0.06 0.00 -0.61 0.00 0.00 59.70 58.83 3i22 h MET 53 Cb 0.17 0.06 -0.01 0.00 0.43 0.00 0.00 31.60 32.25 3i22 h MET 53 CO 0.00 0.94 -0.30 1.15 -0.40 0.00 0.00 176.91 178.31 3i22 h THR 54 N -0.50 0.83 -0.11 -0.77 2.02 -0.84 -3.21 112.91 110.34 3i22 h THR 54 Ca -0.04 -1.21 0.02 0.00 0.77 0.00 0.00 66.41 65.95 3i22 h THR 54 Cb 1.04 1.74 -0.02 0.00 -1.74 0.00 0.00 68.15 69.18 3i22 h THR 54 CO 0.05 0.29 0.01 -0.09 0.37 0.00 0.00 175.52 176.15 3i22 h ARG 55 N 0.00 0.04 0.38 6.66 9.65 -1.51 0.89 114.38 130.50 3i22 h ARG 55 Ca -0.00 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.86 3i22 h ARG 55 Cb 0.71 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.28 3i22 h ARG 55 CO 0.04 0.03 -0.29 0.00 2.80 0.00 0.00 179.97 182.55 3i22 h ALA 56 N 1.08 -1.05 -0.45 2.80 0.00 -1.65 -2.59 119.26 117.41 3i22 h ALA 56 Ca 0.05 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 54.95 3i22 h ALA 56 Cb 0.05 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3i22 h ALA 56 CO -0.08 -1.05 0.32 -0.39 0.00 0.00 0.00 179.25 178.05 3i22 h VAL 57 N -0.65 0.79 0.00 0.00 -1.51 -1.64 -3.48 116.25 109.77 3i22 h VAL 57 Ca -0.05 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 3i22 h VAL 57 Cb 0.54 0.76 0.00 0.00 -2.13 0.00 0.00 31.29 30.45 3i22 h VAL 57 CO 0.01 0.01 0.00 0.29 -1.23 0.00 0.00 177.57 176.65 3i22 n LYS 58 N -4.41 0.00 -1.24 5.19 5.02 0.30 -3.67 118.16 119.34 3i22 n LYS 58 Ca 0.08 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.00 3i22 n LYS 58 Cb 0.50 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.49 3i22 n LYS 58 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3i22 n ARG 59 N 6.20 2.69 -3.96 1.97 0.63 -1.26 -4.83 116.66 118.10 3i22 n ARG 59 Ca 0.00 -2.05 -0.12 0.00 -0.92 0.00 0.00 57.85 54.76 3i22 n ARG 59 Cb 0.00 -2.86 -0.13 0.00 0.45 0.00 0.00 32.46 29.92 3i22 n ARG 59 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 3i22 s GLN 60 N 3.25 0.21 1.12 -0.14 -0.21 -1.24 -5.14 119.66 117.50 3i22 s GLN 60 Ca 0.54 -0.29 0.00 0.00 0.02 0.00 0.00 55.36 55.64 3i22 s GLN 60 Cb 0.14 -0.05 0.00 0.00 1.00 0.00 0.00 33.01 34.10 3i22 s GLN 60 CO -0.03 0.01 0.00 0.41 -2.12 0.00 0.00 175.29 173.56 3i22 n GLY 61 N 2.45 -1.62 3.65 3.09 0.00 -1.26 -4.87 105.19 106.64 3i22 n GLY 61 Ca -0.17 -1.21 -0.29 0.00 0.00 0.00 0.00 46.02 44.35 3i22 n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i22 s LYS 62 N -0.60 2.38 -0.03 1.61 2.47 -1.26 -4.74 119.74 119.57 3i22 s LYS 62 Ca 0.00 -0.99 -0.01 0.00 -1.56 0.00 0.00 55.97 53.42 3i22 s LYS 62 Cb 0.00 -2.41 0.03 0.00 -1.46 0.00 0.00 37.83 33.99 3i22 s LYS 62 CO 0.00 0.50 0.04 0.42 0.16 0.00 0.00 175.35 176.47 3i22 s ILE 63 N -1.44 -0.06 0.27 5.43 1.09 -1.26 -3.58 121.20 121.65 3i22 s ILE 63 Ca 0.25 0.27 0.05 0.00 -1.10 0.00 0.00 60.65 60.13 3i22 s ILE 63 Cb -0.11 -0.11 -0.06 0.00 -1.06 0.00 0.00 42.46 41.13 3i22 s ILE 63 CO 0.17 0.12 -0.03 0.26 -0.10 0.00 0.00 174.94 175.36 3i22 s TRP 64 N 1.37 1.83 -0.14 3.97 0.51 -1.21 -4.96 118.94 120.32 3i22 s TRP 64 Ca -0.05 -0.79 -0.04 0.00 -2.12 0.00 0.00 56.10 53.10 3i22 s TRP 64 Cb -0.13 -1.07 0.06 0.00 -0.81 0.00 0.00 33.47 31.53 3i22 s TRP 64 CO -0.03 0.16 0.15 0.42 -0.51 0.00 0.00 176.95 177.14 3i22 s ILE 65 N -3.16 -0.22 -0.02 2.03 1.01 -1.26 -2.89 121.20 116.69 3i22 s ILE 65 Ca 0.30 0.09 0.04 0.00 0.00 0.00 0.00 60.65 61.08 3i22 s ILE 65 Cb 0.05 -0.46 -0.25 0.00 0.01 0.00 0.00 42.46 41.81 3i22 s ILE 65 CO 0.11 -0.06 0.75 0.03 0.00 0.00 0.00 174.94 175.77 3i22 h ARG 66 N 8.37 0.11 -6.05 2.79 3.08 -1.70 -3.45 114.38 117.54 3i22 h ARG 66 Ca -0.15 -0.19 -0.57 0.00 0.07 0.00 0.00 59.98 59.14 3i22 h ARG 66 Cb 1.14 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 31.20 3i22 h ARG 66 CO 0.22 0.85 0.47 0.14 -1.07 0.00 0.00 179.97 180.58 3i22 s VAL 67 N -2.61 4.84 -0.09 2.04 -7.23 -1.26 -5.04 120.40 111.04 3i22 s VAL 67 Ca -0.08 1.79 0.04 0.00 -1.81 0.00 0.00 61.98 61.92 3i22 s VAL 67 Cb 0.08 -4.20 -0.00 0.00 0.56 0.00 0.00 36.38 32.81 3i22 s VAL 67 CO 0.82 0.01 -0.23 0.12 -0.31 0.00 0.00 175.10 175.51 3i22 s PHE 68 N 2.17 2.56 0.00 2.82 5.36 -1.26 -5.06 117.98 124.57 3i22 s PHE 68 Ca 0.42 -0.94 0.00 0.00 -0.96 0.00 0.00 56.93 55.45 3i22 s PHE 68 Cb -0.17 -1.70 0.00 0.00 -0.34 0.00 0.00 43.02 40.81 3i22 s PHE 68 CO 0.14 -0.35 0.47 -2.30 -1.46 0.00 0.00 175.22 171.71 3i22 n PRO 69 N 3.39 0.00 0.00 10.12 -0.02 -1.26 -4.57 135.00 142.66 3i22 n PRO 69 Ca -0.19 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 3i22 n PRO 69 Cb 0.53 -0.75 0.00 0.00 -0.02 0.00 0.00 33.50 33.26 3i22 n PRO 69 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3i22 n ASP 70 N -2.01 0.00 -4.73 2.55 2.03 -1.26 -2.31 116.55 110.81 3i22 n ASP 70 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 3i22 n ASP 70 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 3i22 n ASP 70 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 3i22 s LYS 71 N 0.00 4.35 0.00 -0.67 2.20 -1.11 -4.84 119.74 119.67 3i22 s LYS 71 Ca 0.00 2.09 0.00 0.00 -0.36 0.00 0.00 55.97 57.70 3i22 s LYS 71 Cb 0.00 -3.20 0.00 0.00 -1.51 0.00 0.00 37.83 33.12 3i22 s LYS 71 CO 0.00 -0.32 0.00 -2.30 -0.36 0.00 0.00 175.35 172.37 3i22 n PRO 72 N 2.97 0.00 0.00 4.03 -0.02 -1.26 -1.43 135.00 139.29 3i22 n PRO 72 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 3i22 n PRO 72 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.90 3i22 n PRO 72 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3i22 n ILE 73 N 0.00 0.00 -4.28 4.25 2.08 -1.26 -3.89 119.36 116.26 3i22 n ILE 73 Ca 0.00 0.00 -0.23 0.00 0.56 0.00 0.00 62.75 63.08 3i22 n ILE 73 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 39.64 38.77 3i22 n ILE 73 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 3i22 s THR 74 N 0.00 1.66 -0.03 1.39 -4.23 -1.26 -3.40 115.64 109.77 3i22 s THR 74 Ca 0.00 -1.61 -0.01 0.00 -1.18 0.00 0.00 61.69 58.89 3i22 s THR 74 Cb 0.00 -1.57 0.03 0.00 1.34 0.00 0.00 72.50 72.30 3i22 s THR 74 CO 0.00 -0.15 0.03 -1.61 -0.54 0.00 0.00 174.62 172.35 3i22 s GLU 75 N -2.12 0.06 0.12 3.99 2.02 -1.22 -4.99 118.70 116.56 3i22 s GLU 75 Ca 0.08 0.23 -0.30 0.00 0.02 0.00 0.00 54.97 54.99 3i22 s GLU 75 Cb -0.09 -0.45 -0.07 0.00 0.10 0.00 0.00 34.13 33.63 3i22 s GLU 75 CO 0.04 -0.23 1.17 0.21 0.02 0.00 0.00 175.26 176.47 3i22 s LYS 76 N 1.53 4.49 0.00 1.61 2.20 -1.26 -4.55 119.74 123.76 3i22 s LYS 76 Ca -0.03 1.77 0.00 0.00 -0.36 0.00 0.00 55.97 57.35 3i22 s LYS 76 Cb -0.13 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 32.89 3i22 s LYS 76 CO -0.03 -0.12 0.00 -2.30 -0.36 0.00 0.00 175.35 172.54 3i22 n PRO 77 N 3.16 1.42 0.00 4.03 -0.02 -1.26 -5.04 135.00 137.29 3i22 n PRO 77 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 3i22 n PRO 77 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.94 3i22 n PRO 77 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3i22 n LEU 78 N 0.00 0.00 -1.77 2.45 -0.00 -1.26 -4.76 117.00 111.66 3i22 n LEU 78 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.98 3i22 n LEU 78 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 3i22 n LEU 78 CO 0.00 0.00 0.96 0.00 -0.00 0.00 0.00 177.39 178.35 3i22 n ALA 79 N -3.00 3.98 -2.64 1.96 0.00 -1.26 -4.83 120.51 114.71 3i22 n ALA 79 Ca 0.00 -0.45 -0.33 0.00 0.00 0.00 0.00 53.44 52.66 3i22 n ALA 79 Cb 0.00 -1.56 -0.10 0.00 0.00 0.00 0.00 19.45 17.79 3i22 n ALA 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i22 s VAL 80 N 0.77 3.98 0.88 0.00 0.11 -1.26 -5.11 120.40 119.75 3i22 s VAL 80 Ca 0.16 -0.56 -0.12 0.00 -2.93 0.00 0.00 61.98 58.54 3i22 s VAL 80 Cb 0.08 -2.72 0.12 0.00 -1.53 0.00 0.00 36.38 32.33 3i22 s VAL 80 CO 0.00 0.46 1.10 -0.13 -3.33 0.00 0.00 175.10 173.20 3i22 s ARG 81 N -1.27 1.43 0.73 1.54 0.52 -1.26 -5.01 118.95 115.62 3i22 s ARG 81 Ca 0.17 0.72 -0.05 0.00 -0.52 0.00 0.00 55.73 56.04 3i22 s ARG 81 Cb -0.11 -1.84 0.09 0.00 0.52 0.00 0.00 34.95 33.62 3i22 s ARG 81 CO 0.07 -2.10 1.02 -1.64 0.02 0.00 0.00 175.30 172.67 3i22 s MET 82 N -5.02 1.88 -0.64 3.54 -1.94 -1.26 -4.54 119.30 111.33 3i22 s MET 82 Ca 0.63 -0.56 -0.08 0.00 -1.71 0.00 0.00 55.69 53.96 3i22 s MET 82 Cb -0.17 -2.20 0.01 0.00 2.01 0.00 0.00 34.83 34.48 3i22 s MET 82 CO 0.56 -1.40 0.53 0.41 -0.01 0.00 0.00 175.02 175.11 3i22 n GLY 83 N -2.95 -0.83 0.49 -0.03 0.00 -1.26 -4.89 105.19 95.73 3i22 n GLY 83 Ca 0.11 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.77 3i22 n GLY 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i22 n LYS 84 N -1.83 0.00 0.00 1.61 4.76 -1.26 -5.12 118.16 116.32 3i22 n LYS 84 Ca -0.23 -0.80 0.00 0.00 -2.87 0.00 0.00 58.31 54.40 3i22 n LYS 84 Cb 0.60 -0.41 0.00 0.00 -1.84 0.00 0.00 35.03 33.38 3i22 n LYS 84 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i22 n GLY 85 N 0.00 3.58 3.56 0.72 0.00 -1.26 -5.00 105.19 106.79 3i22 n GLY 85 Ca 0.00 -1.60 -0.40 0.00 0.00 0.00 0.00 46.02 44.02 3i22 n GLY 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i22 s LYS 86 N -4.44 2.88 0.29 1.61 2.20 -1.26 -4.94 119.74 116.08 3i22 s LYS 86 Ca 0.00 0.46 -0.25 0.00 -0.36 0.00 0.00 55.97 55.82 3i22 s LYS 86 Cb 0.00 -4.30 -0.16 0.00 -1.51 0.00 0.00 37.83 31.86 3i22 s LYS 86 CO 0.00 -2.45 0.34 0.41 -0.36 0.00 0.00 175.35 173.28 3i22 n GLY 87 N 5.56 -2.16 3.71 5.54 0.00 -1.26 -4.88 105.19 111.69 3i22 n GLY 87 Ca 0.16 0.18 -0.30 0.00 0.00 0.00 0.00 46.02 46.06 3i22 n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i22 s ASN 88 N -0.99 3.48 0.69 1.61 2.20 -1.26 -4.40 114.94 116.26 3i22 s ASN 88 Ca 0.62 1.58 -0.15 0.00 -0.94 0.00 0.00 52.86 53.97 3i22 s ASN 88 Cb -0.79 -2.25 0.02 0.00 -2.00 0.00 0.00 41.25 36.23 3i22 s ASN 88 CO 0.59 -2.65 1.15 0.68 -2.94 0.00 0.00 177.10 173.93 3i22 s VAL 89 N -2.89 2.81 0.00 3.54 -7.23 -1.26 -3.43 120.40 111.94 3i22 s VAL 89 Ca 0.63 0.38 0.00 0.00 -1.81 0.00 0.00 61.98 61.19 3i22 s VAL 89 Cb -0.18 -2.91 0.00 0.00 0.56 0.00 0.00 36.38 33.84 3i22 s VAL 89 CO 0.57 -0.23 0.00 -0.62 -0.31 0.00 0.00 175.10 174.52 3i22 n GLU 90 N -2.57 5.18 -3.58 4.82 1.02 -1.22 -4.91 120.64 119.39 3i22 n GLU 90 Ca 0.12 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.15 3i22 n GLU 90 Cb 0.51 -0.54 -0.05 0.00 -0.02 0.00 0.00 31.44 31.34 3i22 n GLU 90 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 3i22 s TYR 91 N -0.22 -0.40 0.50 -0.32 1.13 -1.26 -5.14 117.35 111.64 3i22 s TYR 91 Ca 0.00 0.70 0.06 0.00 -1.41 0.00 0.00 57.07 56.43 3i22 s TYR 91 Cb 0.00 0.44 0.04 0.00 -1.10 0.00 0.00 41.96 41.34 3i22 s TYR 91 CO 0.00 -0.35 0.68 -1.58 -2.51 0.00 0.00 175.55 171.79 3i22 s TRP 92 N -1.02 2.51 -0.24 -3.49 0.52 -1.25 -4.24 118.94 111.73 3i22 s TRP 92 Ca -0.02 -0.36 -0.27 0.00 0.02 0.00 0.00 56.10 55.47 3i22 s TRP 92 Cb -0.01 -2.48 0.14 0.00 -1.15 0.00 0.00 33.47 29.98 3i22 s TRP 92 CO 0.02 -0.73 1.11 0.54 0.02 0.00 0.00 176.95 177.91 3i22 s VAL 93 N -2.55 0.00 -0.23 4.03 0.11 -0.51 -2.48 120.40 118.77 3i22 s VAL 93 Ca 0.57 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.57 3i22 s VAL 93 Cb -0.09 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.74 3i22 s VAL 93 CO 0.36 0.00 0.01 0.00 -3.33 0.00 0.00 175.10 172.14 3i22 s ALA 94 N -0.36 2.98 -0.74 1.54 0.00 -0.42 -2.76 121.76 122.01 3i22 s ALA 94 Ca 0.03 -1.13 -0.26 0.00 0.00 0.00 0.00 51.96 50.60 3i22 s ALA 94 Cb -0.03 -1.87 -0.03 0.00 0.00 0.00 0.00 23.12 21.19 3i22 s ALA 94 CO -0.05 -0.42 1.91 -0.51 0.00 0.00 0.00 175.76 176.68 3i22 s LEU 95 N 1.48 3.23 -0.02 0.00 1.02 -1.26 -1.99 118.68 121.15 3i22 s LEU 95 Ca 0.06 -0.10 -0.01 0.00 0.02 0.00 0.00 54.13 54.10 3i22 s LEU 95 Cb -0.15 -2.54 -0.04 0.00 0.02 0.00 0.00 46.19 43.48 3i22 s LEU 95 CO 0.00 -2.55 0.09 0.27 0.02 0.00 0.00 176.35 174.17 3i22 s ILE 96 N 9.59 4.79 0.14 -0.59 -4.36 -1.03 -5.03 121.20 124.71 3i22 s ILE 96 Ca 0.69 -0.35 0.04 0.00 -0.26 0.00 0.00 60.65 60.78 3i22 s ILE 96 Cb -0.10 -3.18 -0.04 0.00 1.25 0.00 0.00 42.46 40.39 3i22 s ILE 96 CO 0.11 0.38 -0.10 0.00 0.24 0.00 0.00 174.94 175.57 3i22 s GLN 97 N -1.65 1.04 -0.34 0.37 0.00 -1.26 -2.70 119.66 115.12 3i22 s GLN 97 Ca 0.22 -1.41 -0.43 0.00 -0.00 0.00 0.00 55.36 53.74 3i22 s GLN 97 Cb -0.12 -0.63 -0.18 0.00 0.00 0.00 0.00 33.01 32.08 3i22 s GLN 97 CO 0.13 0.08 1.64 -2.30 0.00 0.00 0.00 175.29 174.83 3i22 n PRO 98 N -0.08 0.62 0.00 9.60 -0.02 -0.71 -1.71 135.00 142.70 3i22 n PRO 98 Ca -0.11 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3i22 n PRO 98 Cb 0.60 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 3i22 n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i22 n GLY 99 N 3.91 3.48 3.48 -1.23 0.00 -1.26 -2.45 105.19 111.11 3i22 n GLY 99 Ca 0.28 -0.99 -0.58 0.00 0.00 0.00 0.00 46.02 44.72 3i22 n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i22 n LYS 100 N 0.00 0.53 -2.28 1.61 4.76 -0.69 -3.87 118.16 118.22 3i22 n LYS 100 Ca 0.00 0.17 -0.42 0.00 -2.87 0.00 0.00 58.31 55.19 3i22 n LYS 100 Cb 0.00 -1.88 -0.03 0.00 -1.84 0.00 0.00 35.03 31.28 3i22 n LYS 100 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3i22 s VAL 101 N 5.38 3.66 -0.13 -0.18 0.11 0.29 -1.89 120.40 127.64 3i22 s VAL 101 Ca 1.10 1.17 -0.08 0.00 -2.93 0.00 0.00 61.98 61.24 3i22 s VAL 101 Cb -1.24 -3.75 -0.04 0.00 -1.53 0.00 0.00 36.38 29.82 3i22 s VAL 101 CO 0.64 0.07 -0.05 -0.07 -3.33 0.00 0.00 175.10 172.37 3i22 h LEU 102 N 7.13 0.00 0.00 2.54 -0.00 -1.12 -3.39 115.31 120.47 3i22 h LEU 102 Ca -0.41 -0.09 -0.47 0.00 -0.00 0.00 0.00 57.88 56.92 3i22 h LEU 102 Cb 1.20 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.77 3i22 h LEU 102 CO 0.85 0.74 -0.36 -1.22 -0.00 0.00 0.00 178.44 178.46 3i22 n TYR 103 N -4.65 0.55 -3.55 1.13 4.02 -1.26 -2.59 117.16 110.82 3i22 n TYR 103 Ca -0.07 -1.94 -0.15 0.00 -0.01 0.00 0.00 57.90 55.74 3i22 n TYR 103 Cb 0.22 -0.15 -0.05 0.00 -0.02 0.00 0.00 39.34 39.35 3i22 n TYR 103 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 3i22 s GLU 104 N -3.30 1.06 0.39 -0.72 2.02 -1.14 -2.59 118.70 114.42 3i22 s GLU 104 Ca 0.07 -0.15 0.04 0.00 0.02 0.00 0.00 54.97 54.95 3i22 s GLU 104 Cb 0.00 0.49 -0.05 0.00 0.10 0.00 0.00 34.13 34.67 3i22 s GLU 104 CO 0.05 -0.38 0.06 1.41 0.02 0.00 0.00 175.26 176.41 3i22 s MET 105 N -2.29 1.85 0.00 1.61 1.75 0.22 -3.29 119.30 119.16 3i22 s MET 105 Ca -0.06 -2.08 0.00 0.00 -1.25 0.00 0.00 55.69 52.30 3i22 s MET 105 Cb -0.01 -1.06 0.00 0.00 2.84 0.00 0.00 34.83 36.60 3i22 s MET 105 CO -0.00 -0.25 0.00 -3.47 -0.65 0.00 0.00 175.02 170.65 3i22 n ASP 106 N -0.96 0.00 -1.43 1.11 2.03 -1.24 -3.32 116.55 112.75 3i22 n ASP 106 Ca -0.06 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.18 3i22 n ASP 106 Cb 0.66 0.08 0.04 0.00 -0.72 0.00 0.00 41.12 41.18 3i22 n ASP 106 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3i22 n GLY 107 N -1.27 2.83 0.00 0.27 0.00 -1.26 -4.74 105.19 101.02 3i22 n GLY 107 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3i22 n GLY 107 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3i22 n VAL 108 N 0.36 0.00 -0.38 1.61 3.14 -1.26 -4.15 118.33 117.64 3i22 n VAL 108 Ca 0.15 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.24 3i22 n VAL 108 Cb 0.71 0.00 0.26 0.00 -1.06 0.00 0.00 33.84 33.75 3i22 n VAL 108 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 3i22 n PRO 109 N 0.00 -3.49 -2.02 1.45 -0.02 -1.26 -4.50 135.00 125.16 3i22 n PRO 109 Ca 0.00 -1.02 -0.26 0.00 -2.02 0.00 0.00 63.50 60.20 3i22 n PRO 109 Cb 0.00 -1.96 -0.06 0.00 -0.02 0.00 0.00 33.50 31.46 3i22 n PRO 109 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3i22 s GLU 110 N -4.51 2.46 0.03 -0.52 -1.05 -1.26 -3.16 118.70 110.69 3i22 s GLU 110 Ca 0.65 -0.49 0.00 0.00 -0.15 0.00 0.00 54.97 54.97 3i22 s GLU 110 Cb -0.17 -5.10 0.00 0.00 -0.44 0.00 0.00 34.13 28.42 3i22 s GLU 110 CO 0.60 -3.64 0.00 -1.91 0.95 0.00 0.00 175.26 171.25 3i22 n GLU 111 N 8.68 0.00 0.00 -4.83 4.07 -1.26 -4.80 120.64 122.50 3i22 n GLU 111 Ca 0.42 0.00 0.09 0.00 -0.06 0.00 0.00 57.16 57.61 3i22 n GLU 111 Cb 0.47 0.00 0.48 0.00 -0.06 0.00 0.00 31.44 32.33 3i22 n GLU 111 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 3i22 n LEU 112 N -2.13 0.00 -0.08 4.31 -0.00 -1.25 -1.49 117.00 116.36 3i22 n LEU 112 Ca 0.00 0.27 -0.07 0.00 -0.00 0.00 0.00 56.01 56.21 3i22 n LEU 112 Cb 0.00 -0.27 -0.03 0.00 -0.00 0.00 0.00 43.42 43.12 3i22 n LEU 112 CO 0.00 -0.10 -0.43 0.00 -0.00 0.00 0.00 177.39 176.85 3i22 n ALA 113 N -1.27 0.56 -0.06 1.96 0.00 -1.19 -3.48 120.51 117.03 3i22 n ALA 113 Ca 0.09 -0.50 0.02 0.00 0.00 0.00 0.00 53.44 53.05 3i22 n ALA 113 Cb 0.15 -0.03 0.35 0.00 0.00 0.00 0.00 19.45 19.92 3i22 n ALA 113 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i22 h ARG 114 N -1.00 0.65 0.00 0.00 2.43 -1.82 -1.90 114.38 112.74 3i22 h ARG 114 Ca -0.04 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.00 3i22 h ARG 114 Cb 0.67 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 3i22 h ARG 114 CO -0.03 0.49 -0.29 1.49 -1.51 0.00 0.00 179.97 180.12 3i22 h GLU 115 N 0.66 0.00 0.00 0.20 4.22 -1.47 -2.83 114.58 115.36 3i22 h GLU 115 Ca 0.17 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.61 3i22 h GLU 115 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3i22 h GLU 115 CO -0.03 0.29 0.00 0.00 -2.18 0.00 0.00 179.01 177.09 3i22 h ALA 116 N 1.71 1.00 -0.35 2.92 0.00 -1.38 -2.26 119.26 120.89 3i22 h ALA 116 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i22 h ALA 116 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3i22 h ALA 116 CO 0.04 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.48 3i22 n PHE 117 N -3.05 1.11 -0.04 0.00 3.01 -1.07 -3.78 117.46 113.64 3i22 n PHE 117 Ca 0.03 -0.40 -0.03 0.00 1.01 0.00 0.00 57.45 58.06 3i22 n PHE 117 Cb 0.47 -0.29 -0.08 0.00 -0.01 0.00 0.00 39.48 39.57 3i22 n PHE 117 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 3i22 n LYS 118 N 0.43 1.90 -0.65 -1.08 0.00 -0.85 -3.15 118.16 114.76 3i22 n LYS 118 Ca 0.16 -0.03 0.09 0.00 0.00 0.00 0.00 58.31 58.54 3i22 n LYS 118 Cb 0.73 -1.26 0.37 0.00 0.00 0.00 0.00 35.03 34.86 3i22 n LYS 118 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3i22 n LEU 119 N -2.28 4.90 0.00 3.14 0.00 -1.22 -4.28 117.00 117.26 3i22 n LEU 119 Ca -0.14 -2.51 0.00 0.00 0.00 0.00 0.00 56.01 53.36 3i22 n LEU 119 Cb 0.72 -0.59 0.00 0.00 0.00 0.00 0.00 43.42 43.55 3i22 n LEU 119 CO 0.22 0.79 -0.28 0.00 0.00 0.00 0.00 177.39 178.13 3i22 n ALA 120 N 1.06 1.70 -0.21 1.96 0.00 -1.25 -4.34 120.51 119.43 3i22 n ALA 120 Ca 0.26 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.74 3i22 n ALA 120 Cb 0.93 0.19 0.29 0.00 0.00 0.00 0.00 19.45 20.86 3i22 n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i22 h ALA 121 N 0.00 1.58 0.00 0.00 0.00 -1.73 -2.22 119.26 116.89 3i22 h ALA 121 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i22 h ALA 121 Cb 0.56 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3i22 h ALA 121 CO 0.00 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.58 3i22 n ALA 122 N -2.43 2.05 0.71 0.00 0.00 -1.26 -1.62 120.51 117.96 3i22 n ALA 122 Ca 0.10 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.60 3i22 n ALA 122 Cb 0.15 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 18.53 3i22 n ALA 122 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i22 n LYS 123 N -0.59 1.73 -3.15 0.00 4.76 -0.84 -5.02 118.16 115.06 3i22 n LYS 123 Ca 0.02 -0.67 -0.23 0.00 -2.87 0.00 0.00 58.31 54.56 3i22 n LYS 123 Cb 0.01 -1.26 -0.00 0.00 -1.84 0.00 0.00 35.03 31.94 3i22 n LYS 123 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3i22 s LEU 124 N -2.14 3.82 -0.23 -0.35 1.43 -0.64 -4.80 118.68 115.77 3i22 s LEU 124 Ca 0.12 0.39 0.14 0.00 -1.03 0.00 0.00 54.13 53.75 3i22 s LEU 124 Cb 0.13 -3.26 0.79 0.00 0.03 0.00 0.00 46.19 43.87 3i22 s LEU 124 CO 0.44 -0.51 1.71 -0.81 0.23 0.00 0.00 176.35 177.41 3i22 n PRO 125 N -1.95 4.64 -3.66 1.29 -0.04 -1.26 -4.90 135.00 129.13 3i22 n PRO 125 Ca -0.01 -3.13 -0.08 0.00 -0.04 0.00 0.00 63.50 60.24 3i22 n PRO 125 Cb 0.57 -2.21 -0.08 0.00 -0.04 0.00 0.00 33.50 31.73 3i22 n PRO 125 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3i22 s ILE 126 N -2.78 -0.09 0.03 0.52 -5.25 -1.26 -5.01 121.20 107.37 3i22 s ILE 126 Ca 0.53 0.04 -0.38 0.00 -0.99 0.00 0.00 60.65 59.85 3i22 s ILE 126 Cb 0.41 -0.86 -0.19 0.00 2.95 0.00 0.00 42.46 44.77 3i22 s ILE 126 CO 0.15 0.02 1.04 2.29 -1.79 0.00 0.00 174.94 176.65 3i22 n LYS 127 N 4.41 0.14 -4.17 0.37 2.85 -1.26 -4.97 118.16 115.52 3i22 n LYS 127 Ca -0.20 0.05 -0.17 0.00 -1.05 0.00 0.00 58.31 56.93 3i22 n LYS 127 Cb 0.57 -1.51 -0.12 0.00 -0.65 0.00 0.00 35.03 33.32 3i22 n LYS 127 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 3i22 s THR 128 N -0.06 0.98 0.36 0.58 -4.23 -1.25 -4.36 115.64 107.65 3i22 s THR 128 Ca 0.87 -1.20 0.08 0.00 -1.18 0.00 0.00 61.69 60.27 3i22 s THR 128 Cb -1.19 -0.95 -0.06 0.00 1.34 0.00 0.00 72.50 71.63 3i22 s THR 128 CO 0.56 -0.22 0.04 0.28 -0.54 0.00 0.00 174.62 174.73 3i22 s THR 129 N -1.22 2.48 0.11 3.99 -1.32 -1.20 -4.95 115.64 113.54 3i22 s THR 129 Ca -0.03 -1.94 -0.24 0.00 -1.21 0.00 0.00 61.69 58.27 3i22 s THR 129 Cb -0.10 -2.85 -0.07 0.00 -1.51 0.00 0.00 72.50 67.98 3i22 s THR 129 CO 0.02 -0.14 0.74 0.12 -2.21 0.00 0.00 174.62 173.15 3i22 s PHE 130 N -2.56 3.83 0.04 9.09 5.36 -1.26 -0.82 117.98 131.67 3i22 s PHE 130 Ca 0.36 1.52 0.09 0.00 -0.96 0.00 0.00 56.93 57.94 3i22 s PHE 130 Cb 0.02 -2.75 -0.03 0.00 -0.34 0.00 0.00 43.02 39.92 3i22 s PHE 130 CO 0.20 0.44 -0.25 0.08 -1.46 0.00 0.00 175.22 174.23 3i22 s VAL 131 N -0.77 2.25 0.00 3.12 1.01 -0.87 -4.82 120.40 120.32 3i22 s VAL 131 Ca 0.36 -1.36 0.00 0.00 0.00 0.00 0.00 61.98 60.98 3i22 s VAL 131 Cb -0.22 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.27 3i22 s VAL 131 CO 0.24 0.36 0.00 0.35 0.00 0.00 0.00 175.10 176.05 3i22 n THR 132 N 1.73 0.00 0.01 3.92 -2.24 -1.26 -2.49 114.28 113.95 3i22 n THR 132 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3i22 n THR 132 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 3i22 n THR 132 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3i22 n LYS 133 N 0.00 0.00 -0.59 -0.78 4.81 -1.22 -3.79 118.16 116.59 3i22 n LYS 133 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3i22 n LYS 133 Cb 0.00 -0.11 0.00 0.00 0.02 0.00 0.00 35.03 34.94 3i22 n LYS 133 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 3i22 n THR 134 N -2.65 -3.15 0.00 3.15 -1.04 -1.26 -4.48 114.28 104.85 3i22 n THR 134 Ca 0.00 0.59 0.00 0.00 -2.04 0.00 0.00 64.05 62.60 3i22 n THR 134 Cb 0.10 -2.12 0.00 0.00 -1.82 0.00 0.00 70.33 66.50 3i22 n THR 134 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3i22 n VAL 135 N 0.05 0.00 1.34 12.58 0.31 -1.26 -5.04 118.33 126.32 3i22 n VAL 135 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 3i22 n VAL 135 Cb 0.00 -0.22 0.39 0.00 -0.91 0.00 0.00 33.84 33.10 3i22 n VAL 135 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31