#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i22 n VAL 2 N 0.00 0.00 0.00 0.00 0.31 -1.26 -3.12 118.33 114.26 3i22 n VAL 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i22 n VAL 2 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3i22 n VAL 2 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3i22 n VAL 3 N 0.00 -0.41 -3.48 2.52 0.31 -1.26 -3.71 118.33 112.30 3i22 n VAL 3 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 3i22 n VAL 3 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3i22 n VAL 3 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3i22 n LYS 4 N 0.59 1.23 -3.92 5.55 5.02 -1.26 -3.41 118.16 121.96 3i22 n LYS 4 Ca 0.00 -0.79 -0.23 0.00 -2.02 0.00 0.00 58.31 55.27 3i22 n LYS 4 Cb 0.00 0.06 -0.17 0.00 -0.02 0.00 0.00 35.03 34.90 3i22 n LYS 4 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i22 n LYS 6 N 4.76 1.95 -1.03 0.00 5.02 -1.26 -4.30 118.16 123.30 3i22 n LYS 6 Ca -0.14 0.69 -0.34 0.00 -2.02 0.00 0.00 58.31 56.50 3i22 n LYS 6 Cb 0.50 -2.33 -0.03 0.00 -0.02 0.00 0.00 35.03 33.15 3i22 n LYS 6 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3i22 n PRO 7 N 0.24 1.94 -0.89 1.97 -0.02 -1.26 -4.38 135.00 132.60 3i22 n PRO 7 Ca 0.06 -1.76 -0.18 0.00 -2.02 0.00 0.00 63.50 59.60 3i22 n PRO 7 Cb 0.38 -2.75 0.06 0.00 -0.02 0.00 0.00 33.50 31.17 3i22 n PRO 7 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3i22 n THR 8 N 5.09 2.73 0.00 3.45 -2.24 -1.26 -4.83 114.28 117.22 3i22 n THR 8 Ca 0.49 -1.65 0.00 0.00 -2.27 0.00 0.00 64.05 60.62 3i22 n THR 8 Cb 0.28 -1.15 0.00 0.00 -2.10 0.00 0.00 70.33 67.37 3i22 n THR 8 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3i22 n SER 9 N -0.00 0.00 -4.55 3.42 3.41 -1.26 -5.01 113.62 109.62 3i22 n SER 9 Ca 0.35 0.00 -0.46 0.00 -0.26 0.00 0.00 58.87 58.49 3i22 n SER 9 Cb 0.74 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.67 3i22 n SER 9 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 3i22 n PRO 10 N 0.00 1.07 -0.46 4.33 -0.04 -1.26 -0.54 135.00 138.10 3i22 n PRO 10 Ca 0.00 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 3i22 n PRO 10 Cb 0.00 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 3i22 n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i22 n GLY 11 N 1.55 0.77 1.11 0.55 0.00 -1.26 -4.84 105.19 103.06 3i22 n GLY 11 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3i22 n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i22 n ARG 12 N -2.46 0.00 -0.39 1.61 5.12 0.30 -4.65 116.66 116.20 3i22 n ARG 12 Ca 0.00 0.00 0.34 0.00 -1.93 0.00 0.00 57.85 56.26 3i22 n ARG 12 Cb 0.00 -0.32 0.60 0.00 -1.16 0.00 0.00 32.46 31.57 3i22 n ARG 12 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3i22 n ARG 13 N -2.35 -0.04 -0.05 5.56 0.63 -1.19 -0.60 116.66 118.62 3i22 n ARG 13 Ca 0.00 1.19 -0.03 0.00 -0.92 0.00 0.00 57.85 58.09 3i22 n ARG 13 Cb 0.15 -2.27 -0.15 0.00 0.45 0.00 0.00 32.46 30.64 3i22 n ARG 13 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3i22 n HIS 14 N -4.72 0.22 -1.70 -0.14 8.25 -1.26 -4.77 115.22 111.10 3i22 n HIS 14 Ca 0.36 0.08 -0.44 0.00 -0.26 0.00 0.00 57.72 57.46 3i22 n HIS 14 Cb 1.36 -0.90 -0.03 0.00 1.12 0.00 0.00 29.99 31.54 3i22 n HIS 14 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3i22 n VAL 15 N -2.66 0.68 -3.69 1.59 0.31 0.24 -4.79 118.33 110.00 3i22 n VAL 15 Ca -0.21 -0.17 -0.30 0.00 -0.01 0.00 0.00 64.34 63.66 3i22 n VAL 15 Cb 0.95 -1.71 -0.13 0.00 -0.91 0.00 0.00 33.84 32.03 3i22 n VAL 15 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3i22 s VAL 16 N 0.29 1.17 0.02 2.52 1.01 -1.26 -3.02 120.40 121.13 3i22 s VAL 16 Ca 0.70 -2.27 -0.13 0.00 0.00 0.00 0.00 61.98 60.28 3i22 s VAL 16 Cb -0.59 -1.83 -0.06 0.00 0.00 0.00 0.00 36.38 33.90 3i22 s VAL 16 CO 0.45 -0.87 0.39 -0.75 0.00 0.00 0.00 175.10 174.32 3i22 s LYS 17 N 0.65 3.83 -0.19 2.72 2.36 -1.22 -2.92 119.74 124.96 3i22 s LYS 17 Ca 0.16 0.29 -0.13 0.00 -2.55 0.00 0.00 55.97 53.75 3i22 s LYS 17 Cb -0.23 -3.14 -0.05 0.00 -1.05 0.00 0.00 37.83 33.36 3i22 s LYS 17 CO -0.03 0.65 0.24 0.54 1.55 0.00 0.00 175.35 178.31 3i22 s VAL 18 N -1.18 5.32 -0.74 4.02 0.11 -1.26 -4.12 120.40 122.55 3i22 s VAL 18 Ca 0.26 0.41 0.03 0.00 -2.93 0.00 0.00 61.98 59.76 3i22 s VAL 18 Cb -0.15 -3.58 0.18 0.00 -1.53 0.00 0.00 36.38 31.29 3i22 s VAL 18 CO 0.14 0.37 0.55 -0.69 -3.33 0.00 0.00 175.10 172.15 3i22 s VAL 19 N 0.71 3.25 -0.37 2.04 1.01 -1.18 -4.98 120.40 120.88 3i22 s VAL 19 Ca 0.13 -4.14 -0.28 0.00 0.00 0.00 0.00 61.98 57.70 3i22 s VAL 19 Cb -0.13 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 3i22 s VAL 19 CO 0.03 -1.02 2.01 0.20 0.00 0.00 0.00 175.10 176.32 3i22 s ASN 20 N -1.08 5.45 0.00 3.32 0.02 -1.26 -2.36 114.94 119.03 3i22 s ASN 20 Ca 0.25 1.26 0.21 0.00 -1.02 0.00 0.00 52.86 53.56 3i22 s ASN 20 Cb -0.06 -2.52 0.53 0.00 0.02 0.00 0.00 41.25 39.22 3i22 s ASN 20 CO -0.15 -2.07 1.45 -0.81 0.02 0.00 0.00 177.10 175.54 3i22 n PRO 21 N 8.73 2.25 0.00 -0.60 -0.04 -1.26 -3.58 135.00 140.49 3i22 n PRO 21 Ca 0.26 -1.90 0.13 0.00 -0.04 0.00 0.00 63.50 61.96 3i22 n PRO 21 Cb 0.48 -1.46 0.39 0.00 -0.04 0.00 0.00 33.50 32.87 3i22 n PRO 21 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3i22 n GLU 22 N 1.09 1.12 -1.73 0.54 2.13 -1.26 -4.91 120.64 117.61 3i22 n GLU 22 Ca 0.18 -0.69 -0.29 0.00 0.66 0.00 0.00 57.16 57.02 3i22 n GLU 22 Cb 0.50 -1.49 0.16 0.00 0.27 0.00 0.00 31.44 30.88 3i22 n GLU 22 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3i22 s LEU 23 N -2.35 2.26 0.00 4.31 1.02 -1.23 -4.59 118.68 118.09 3i22 s LEU 23 Ca 0.28 0.60 0.00 0.00 0.02 0.00 0.00 54.13 55.03 3i22 s LEU 23 Cb 0.20 -2.79 0.00 0.00 0.02 0.00 0.00 46.19 43.61 3i22 s LEU 23 CO 0.47 -2.64 0.00 1.57 0.02 0.00 0.00 176.35 175.77 3i22 n HIS 24 N -3.77 -2.92 0.06 0.29 -0.00 0.53 -4.90 115.22 104.52 3i22 n HIS 24 Ca 0.11 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.29 3i22 n HIS 24 Cb 0.60 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.47 3i22 n HIS 24 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3i22 n LYS 25 N -0.90 0.00 -1.56 1.57 4.76 -1.26 -4.92 118.16 115.85 3i22 n LYS 25 Ca 0.00 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 3i22 n LYS 25 Cb 0.00 -0.39 0.16 0.00 -1.84 0.00 0.00 35.03 32.96 3i22 n LYS 25 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3i22 s GLY 26 N -4.12 1.62 0.27 0.72 0.00 -1.26 -4.94 107.32 99.60 3i22 s GLY 26 Ca 0.00 -0.73 -0.25 0.00 0.00 0.00 0.00 44.72 43.73 3i22 s GLY 26 CO 0.00 -0.08 0.37 0.28 0.00 0.00 0.00 173.10 173.66 3i22 n LYS 27 N -3.90 0.00 0.00 2.90 5.02 -1.26 -4.93 118.16 115.99 3i22 n LYS 27 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 3i22 n LYS 27 Cb 0.59 -0.99 0.00 0.00 -0.02 0.00 0.00 35.03 34.62 3i22 n LYS 27 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3i22 n PRO 28 N 1.10 0.00 -3.26 1.97 -0.04 -1.26 -4.91 135.00 128.60 3i22 n PRO 28 Ca 0.15 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.56 3i22 n PRO 28 Cb 0.30 -0.10 -0.04 0.00 -0.04 0.00 0.00 33.50 33.62 3i22 n PRO 28 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3i22 s PHE 29 N 0.00 -1.23 0.21 0.54 5.36 -1.26 -5.05 117.98 116.55 3i22 s PHE 29 Ca 0.00 0.34 -0.07 0.00 -0.96 0.00 0.00 56.93 56.24 3i22 s PHE 29 Cb 0.00 -0.01 0.33 0.00 -0.34 0.00 0.00 43.02 43.00 3i22 s PHE 29 CO 0.00 -1.04 1.19 0.00 -1.46 0.00 0.00 175.22 173.92 3i22 n ALA 30 N 5.08 0.14 0.00 11.12 0.00 -1.26 0.41 120.51 136.00 3i22 n ALA 30 Ca 0.05 0.83 0.00 0.00 0.00 0.00 0.00 53.44 54.32 3i22 n ALA 30 Cb 0.51 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.48 3i22 n ALA 30 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3i22 n PRO 31 N -5.23 0.00 -2.70 0.00 -0.02 -1.26 -2.31 135.00 123.47 3i22 n PRO 31 Ca 0.12 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.53 3i22 n PRO 31 Cb 0.37 -1.39 0.05 0.00 -0.02 0.00 0.00 33.50 32.51 3i22 n PRO 31 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i22 n LEU 32 N -0.80 0.95 0.00 2.45 4.77 0.17 -5.07 117.00 119.47 3i22 n LEU 32 Ca 0.00 -3.53 0.00 0.00 -0.03 0.00 0.00 56.01 52.45 3i22 n LEU 32 Cb 0.00 0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 3i22 n LEU 32 CO 0.00 1.50 0.00 0.18 -1.33 0.00 0.00 177.39 177.74 3i22 n LEU 33 N -0.29 0.00 0.00 2.23 4.77 -0.98 -3.44 117.00 119.29 3i22 n LEU 33 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3i22 n LEU 33 Cb 0.82 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 3i22 n LEU 33 CO 0.17 0.00 0.00 -1.84 -1.33 0.00 0.00 177.39 174.39 3i22 n GLU 34 N 0.00 -0.95 0.05 3.23 0.28 -1.21 -4.94 120.64 117.10 3i22 n GLU 34 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 56.98 3i22 n GLU 34 Cb 0.00 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 32.86 3i22 n GLU 34 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 3i22 h LYS 35 N 0.00 -0.12 0.00 3.44 3.11 -1.92 -3.37 116.57 117.71 3i22 h LYS 35 Ca 0.00 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 3i22 h LYS 35 Cb 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.26 3i22 h LYS 35 CO 0.00 -0.08 0.00 -1.71 -2.81 0.00 0.00 179.45 174.85 3i22 n ASN 36 N -2.55 0.00 -1.63 4.20 5.15 -1.26 -4.67 115.26 114.50 3i22 n ASN 36 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 3i22 n ASN 36 Cb 0.05 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.30 3i22 n ASN 36 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 3i22 n SER 37 N 5.12 -8.64 -3.27 1.20 2.88 -1.26 -4.96 113.62 104.69 3i22 n SER 37 Ca 0.00 1.23 -0.29 0.00 -1.33 0.00 0.00 58.87 58.48 3i22 n SER 37 Cb 0.00 -4.64 0.28 0.00 -0.75 0.00 0.00 64.21 59.10 3i22 n SER 37 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3i22 n LYS 38 N -0.31 -4.64 0.00 -1.46 4.76 -1.26 -5.00 118.16 110.25 3i22 n LYS 38 Ca 0.00 -1.38 0.00 0.00 -2.87 0.00 0.00 58.31 54.06 3i22 n LYS 38 Cb 0.00 -1.87 0.00 0.00 -1.84 0.00 0.00 35.03 31.32 3i22 n LYS 38 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3i22 n SER 39 N -5.33 0.00 -1.45 4.39 3.41 -1.26 -5.00 113.62 108.38 3i22 n SER 39 Ca 0.13 -1.00 -0.11 0.00 -0.26 0.00 0.00 58.87 57.63 3i22 n SER 39 Cb 0.57 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.48 3i22 n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i22 n GLY 40 N 0.00 0.87 3.30 5.00 0.00 -1.26 -0.11 105.19 112.99 3i22 n GLY 40 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 3i22 n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i22 n GLY 41 N -0.27 -0.35 3.49 -0.02 0.00 -1.26 -4.64 105.19 102.14 3i22 n GLY 41 Ca -0.11 0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3i22 n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i22 s ARG 42 N -5.74 1.79 0.00 1.61 3.00 0.84 -3.52 118.95 116.94 3i22 s ARG 42 Ca 0.28 -1.22 0.00 0.00 0.00 0.00 0.00 55.73 54.79 3i22 s ARG 42 Cb -0.12 -2.10 0.00 0.00 0.00 0.00 0.00 34.95 32.73 3i22 s ARG 42 CO 0.66 0.47 0.00 -1.71 0.00 0.00 0.00 175.30 174.72 3i22 n ASN 43 N 0.66 0.00 0.13 0.23 4.05 -1.16 -4.96 115.26 114.20 3i22 n ASN 43 Ca -0.15 -0.86 -0.06 0.00 0.45 0.00 0.00 54.58 53.97 3i22 n ASN 43 Cb 0.53 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 41.52 3i22 n ASN 43 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 177.26 174.99 3i22 h ASN 44 N 0.00 -0.31 0.00 1.20 2.35 -2.01 -3.18 115.58 113.63 3i22 h ASN 44 Ca 0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3i22 h ASN 44 Cb 0.00 0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3i22 h ASN 44 CO 0.00 -0.04 0.14 0.59 -1.65 0.00 0.00 177.43 176.48 3i22 n ASN 45 N -4.05 0.00 0.00 5.81 4.13 -1.26 -4.70 115.26 115.18 3i22 n ASN 45 Ca -0.05 0.10 0.00 0.00 1.68 0.00 0.00 54.58 56.31 3i22 n ASN 45 Cb 0.15 -0.10 0.00 0.00 -1.54 0.00 0.00 39.78 38.29 3i22 n ASN 45 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3i22 n GLY 46 N -0.95 2.71 3.77 7.41 0.00 -1.20 -4.97 105.19 111.96 3i22 n GLY 46 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3i22 n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i22 s ARG 47 N 0.00 3.58 0.19 1.61 0.52 -1.26 -4.46 118.95 119.12 3i22 s ARG 47 Ca 0.00 1.74 -0.30 0.00 -0.52 0.00 0.00 55.73 56.65 3i22 s ARG 47 Cb 0.00 -2.25 -0.08 0.00 0.52 0.00 0.00 34.95 33.14 3i22 s ARG 47 CO 0.00 -0.70 0.99 0.42 0.02 0.00 0.00 175.30 176.03 3i22 s ILE 48 N -1.61 4.14 -0.15 1.52 1.01 -1.26 -2.99 121.20 121.86 3i22 s ILE 48 Ca 0.67 1.96 -0.07 0.00 0.00 0.00 0.00 60.65 63.21 3i22 s ILE 48 Cb -0.28 -4.25 -0.06 0.00 0.01 0.00 0.00 42.46 37.88 3i22 s ILE 48 CO 0.33 0.39 -0.18 0.35 0.00 0.00 0.00 174.94 175.82 3i22 n THR 49 N 2.06 0.80 -5.13 2.92 -2.24 -1.23 -4.98 114.28 106.48 3i22 n THR 49 Ca 0.00 -0.21 -0.30 0.00 -2.27 0.00 0.00 64.05 61.27 3i22 n THR 49 Cb 0.47 -1.65 -0.17 0.00 -2.10 0.00 0.00 70.33 66.89 3i22 n THR 49 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3i22 s THR 50 N -2.27 1.89 0.25 4.28 -4.23 -1.25 -5.14 115.64 109.16 3i22 s THR 50 Ca -0.20 -0.95 -0.02 0.00 -1.18 0.00 0.00 61.69 59.33 3i22 s THR 50 Cb 0.08 -1.62 0.05 0.00 1.34 0.00 0.00 72.50 72.36 3i22 s THR 50 CO 0.26 0.53 0.34 0.54 -0.54 0.00 0.00 174.62 175.75 3i22 n ARG 51 N 3.22 0.06 -3.61 3.99 3.00 -1.26 -4.59 116.66 117.46 3i22 n ARG 51 Ca -0.18 -0.73 -0.27 0.00 -0.01 0.00 0.00 57.85 56.66 3i22 n ARG 51 Cb 0.52 -0.29 0.02 0.00 0.00 0.00 0.00 32.46 32.71 3i22 n ARG 51 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3i22 n HIS 52 N -2.14 -2.11 -4.42 -1.55 8.25 -1.26 -4.91 115.22 107.08 3i22 n HIS 52 Ca 0.05 0.72 -0.21 0.00 -0.26 0.00 0.00 57.72 58.02 3i22 n HIS 52 Cb 0.18 -3.77 -0.16 0.00 1.12 0.00 0.00 29.99 27.35 3i22 n HIS 52 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3i22 s ILE 53 N -3.17 0.85 0.00 1.59 1.10 -1.26 -1.51 121.20 118.79 3i22 s ILE 53 Ca 0.54 -0.37 0.00 0.00 -0.51 0.00 0.00 60.65 60.30 3i22 s ILE 53 Cb -0.27 -0.76 0.00 0.00 0.15 0.00 0.00 42.46 41.58 3i22 s ILE 53 CO 0.66 0.27 0.00 0.61 -2.11 0.00 0.00 174.94 174.37 3i22 n GLY 54 N 3.44 2.74 0.00 1.50 0.00 -0.79 -4.41 105.19 107.67 3i22 n GLY 54 Ca -0.20 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3i22 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i22 n GLY 55 N 0.00 0.24 3.85 -0.02 0.00 -1.26 -4.69 105.19 103.31 3i22 n GLY 55 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.45 3i22 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i22 n GLY 56 N 0.00 1.44 3.14 -0.02 0.00 -1.01 -4.66 105.19 104.09 3i22 n GLY 56 Ca 0.00 -0.65 -0.15 0.00 0.00 0.00 0.00 46.02 45.22 3i22 n GLY 56 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i22 s HIS 57 N 0.00 0.99 0.17 1.61 3.76 -1.26 -4.94 115.29 115.62 3i22 s HIS 57 Ca 0.00 -0.55 -0.15 0.00 -0.15 0.00 0.00 55.06 54.22 3i22 s HIS 57 Cb 0.00 -0.56 0.10 0.00 1.11 0.00 0.00 32.58 33.23 3i22 s HIS 57 CO 0.00 -0.01 1.74 0.87 -0.85 0.00 0.00 174.74 176.50 3i22 h LYS 58 N 4.08 0.28 -3.41 1.40 1.57 -1.99 -3.46 116.57 115.04 3i22 h LYS 58 Ca -0.38 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 3i22 h LYS 58 Cb 1.19 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3i22 h LYS 58 CO 0.45 0.18 -0.72 1.04 -0.57 0.00 0.00 179.45 179.83 3i22 n GLN 59 N -5.03 -4.16 -3.65 3.15 6.02 -1.26 -4.02 117.38 108.42 3i22 n GLN 59 Ca 0.03 3.05 -0.40 0.00 -0.01 0.00 0.00 57.00 59.67 3i22 n GLN 59 Cb 0.16 -3.20 -0.12 0.00 1.02 0.00 0.00 30.24 28.11 3i22 n GLN 59 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i22 s ALA 60 N -0.77 3.20 0.30 -1.58 0.00 -1.26 -4.36 121.76 117.28 3i22 s ALA 60 Ca 0.00 -1.76 -0.29 0.00 0.00 0.00 0.00 51.96 49.91 3i22 s ALA 60 Cb 0.00 -2.49 -0.13 0.00 0.00 0.00 0.00 23.12 20.50 3i22 s ALA 60 CO 0.00 -1.39 1.29 0.98 0.00 0.00 0.00 175.76 176.64 3i22 n TYR 61 N 4.93 2.08 -3.97 0.00 4.19 -1.26 -4.78 117.16 118.34 3i22 n TYR 61 Ca -0.12 0.54 -0.22 0.00 3.31 0.00 0.00 57.90 61.41 3i22 n TYR 61 Cb 0.45 -2.40 -0.04 0.00 0.49 0.00 0.00 39.34 37.84 3i22 n TYR 61 CO 0.00 0.00 0.00 1.03 0.91 0.00 0.00 176.86 178.80 3i22 s ARG 62 N -1.29 2.84 -0.01 2.98 3.00 -1.26 -3.28 118.95 121.92 3i22 s ARG 62 Ca 0.61 -1.16 -0.20 0.00 0.00 0.00 0.00 55.73 54.97 3i22 s ARG 62 Cb -0.62 -2.53 -0.11 0.00 0.00 0.00 0.00 34.95 31.69 3i22 s ARG 62 CO 0.57 0.26 0.87 0.82 0.00 0.00 0.00 175.30 177.82 3i22 h ILE 63 N 1.37 0.00 -4.19 1.52 1.08 -1.93 -3.49 117.51 111.87 3i22 h ILE 63 Ca -0.47 -0.42 0.00 0.00 -0.39 0.00 0.00 64.86 63.59 3i22 h ILE 63 Cb 1.25 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.96 3i22 h ILE 63 CO 0.60 0.00 -0.91 0.52 -0.69 0.00 0.00 178.15 177.67 3i22 n VAL 64 N -5.12-10.62 -2.68 1.67 0.31 -1.26 -4.85 118.33 95.78 3i22 n VAL 64 Ca -0.09 2.30 -0.42 0.00 -0.01 0.00 0.00 64.34 66.12 3i22 n VAL 64 Cb 0.29 -5.51 -0.03 0.00 -0.91 0.00 0.00 33.84 27.67 3i22 n VAL 64 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i22 s ASP 65 N -0.47 6.24 -0.01 4.52 2.15 0.36 -4.90 116.67 124.56 3i22 s ASP 65 Ca -0.08 -0.48 -0.01 0.00 0.43 0.00 0.00 52.55 52.42 3i22 s ASP 65 Cb 0.01 -2.50 -0.01 0.00 -0.30 0.00 0.00 42.92 40.12 3i22 s ASP 65 CO 0.20 -1.59 0.20 -0.26 -0.17 0.00 0.00 175.17 173.56 3i22 h PHE 66 N 9.72 -0.03 -2.00 -5.34 -1.00 -1.87 -3.41 116.94 113.01 3i22 h PHE 66 Ca -0.27 -0.00 -0.50 0.00 2.81 0.00 0.00 57.97 60.00 3i22 h PHE 66 Cb 1.06 0.01 -0.05 0.00 3.61 0.00 0.00 35.95 40.58 3i22 h PHE 66 CO 1.04 -0.02 1.26 -1.59 -1.61 0.00 0.00 178.31 177.39 3i22 s LYS 67 N -1.51 2.77 -0.95 1.51 -2.85 0.19 -4.78 119.74 114.12 3i22 s LYS 67 Ca -0.01 0.33 -0.22 0.00 -1.00 0.00 0.00 55.97 55.07 3i22 s LYS 67 Cb 0.00 -4.38 0.07 0.00 -2.06 0.00 0.00 37.83 31.46 3i22 s LYS 67 CO 0.02 -2.61 1.31 1.03 0.10 0.00 0.00 175.35 175.20 3i22 s ARG 68 N 6.69 3.53 0.00 1.78 0.52 -1.26 -4.91 118.95 125.30 3i22 s ARG 68 Ca 0.59 -1.20 0.00 0.00 -0.52 0.00 0.00 55.73 54.60 3i22 s ARG 68 Cb -0.11 -5.06 0.00 0.00 0.52 0.00 0.00 34.95 30.30 3i22 s ARG 68 CO 0.18 -2.06 0.00 0.09 0.02 0.00 0.00 175.30 173.53 3i22 n ASN 69 N 8.21 0.00 -4.48 0.23 3.02 -1.26 -4.77 115.26 116.21 3i22 n ASN 69 Ca 0.25 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.40 3i22 n ASN 69 Cb 0.50 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.59 3i22 n ASN 69 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3i22 n LYS 70 N 0.00 -1.02 -0.65 3.52 3.00 -1.26 -4.76 118.16 116.99 3i22 n LYS 70 Ca 0.00 0.16 -0.31 0.00 -0.00 0.00 0.00 58.31 58.16 3i22 n LYS 70 Cb 0.00 -4.60 0.28 0.00 0.00 0.00 0.00 35.03 30.70 3i22 n LYS 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3i22 s ASP 71 N -3.42 -0.56 -0.48 3.14 1.11 -1.26 -3.87 116.67 111.33 3i22 s ASP 71 Ca 0.71 0.66 0.00 0.00 0.18 0.00 0.00 52.55 54.10 3i22 s ASP 71 Cb -0.41 -0.89 0.00 0.00 1.07 0.00 0.00 42.92 42.69 3i22 s ASP 71 CO 1.01 -5.04 0.00 0.61 1.18 0.00 0.00 175.17 172.94 3i22 n GLY 72 N 0.47 0.43 2.99 0.21 0.00 0.33 -4.89 105.19 104.74 3i22 n GLY 72 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 3i22 n GLY 72 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i22 s ILE 73 N -1.22 1.42 0.17 -0.61 -1.09 -1.25 -5.05 121.20 113.57 3i22 s ILE 73 Ca 0.00 -0.54 -0.32 0.00 -2.23 0.00 0.00 60.65 57.56 3i22 s ILE 73 Cb 0.00 -1.35 -0.12 0.00 -1.58 0.00 0.00 42.46 39.41 3i22 s ILE 73 CO 0.00 0.43 1.77 -0.81 -1.23 0.00 0.00 174.94 175.10 3i22 n PRO 74 N 4.78 2.76 -4.40 2.79 -0.04 -1.26 -4.66 135.00 134.97 3i22 n PRO 74 Ca -0.16 1.00 -0.21 0.00 -0.04 0.00 0.00 63.50 64.09 3i22 n PRO 74 Cb 0.50 -2.86 -0.16 0.00 -0.04 0.00 0.00 33.50 30.94 3i22 n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i22 s ALA 75 N 1.87 0.90 -0.13 0.55 0.00 -0.69 -0.12 121.76 124.14 3i22 s ALA 75 Ca 0.78 -0.31 0.03 0.00 0.00 0.00 0.00 51.96 52.46 3i22 s ALA 75 Cb -0.50 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.25 3i22 s ALA 75 CO 0.35 0.12 -0.23 0.14 0.00 0.00 0.00 175.76 176.14 3i22 s VAL 76 N 0.35 2.06 0.53 0.00 -7.23 -0.29 -0.60 120.40 115.21 3i22 s VAL 76 Ca -0.06 -0.99 -0.22 0.00 -1.81 0.00 0.00 61.98 58.90 3i22 s VAL 76 Cb -0.10 -1.81 -0.05 0.00 0.56 0.00 0.00 36.38 34.97 3i22 s VAL 76 CO 0.01 0.55 1.32 0.68 -0.31 0.00 0.00 175.10 177.35 3i22 s VAL 77 N 0.68 2.29 -0.09 1.32 -7.23 -1.11 -4.09 120.40 112.17 3i22 s VAL 77 Ca -0.10 0.22 -0.01 0.00 -1.81 0.00 0.00 61.98 60.28 3i22 s VAL 77 Cb -0.16 -3.11 -0.05 0.00 0.56 0.00 0.00 36.38 33.62 3i22 s VAL 77 CO 0.01 -0.00 -0.09 -0.62 -0.31 0.00 0.00 175.10 174.09 3i22 n GLU 78 N -0.90 0.20 -2.75 4.82 1.02 0.42 -3.44 120.64 120.01 3i22 n GLU 78 Ca 0.10 0.06 -0.07 0.00 -0.02 0.00 0.00 57.16 57.23 3i22 n GLU 78 Cb 0.46 -1.07 -0.00 0.00 -0.02 0.00 0.00 31.44 30.80 3i22 n GLU 78 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 3i22 n ARG 79 N -2.93 0.49 -3.72 3.49 1.85 -1.26 -4.96 116.66 109.62 3i22 n ARG 79 Ca -0.16 -1.42 -0.13 0.00 -1.00 0.00 0.00 57.85 55.14 3i22 n ARG 79 Cb 0.65 1.52 -0.10 0.00 -1.05 0.00 0.00 32.46 33.48 3i22 n ARG 79 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3i22 s LEU 80 N 0.00 0.41 0.32 2.89 1.02 -1.26 -2.41 118.68 119.65 3i22 s LEU 80 Ca 0.13 0.73 -0.03 0.00 0.02 0.00 0.00 54.13 54.98 3i22 s LEU 80 Cb -0.01 1.47 -0.00 0.00 0.02 0.00 0.00 46.19 47.66 3i22 s LEU 80 CO 0.10 -0.21 0.43 -1.83 0.02 0.00 0.00 176.35 174.85 3i22 s GLU 81 N -0.08 1.79 -0.45 1.70 1.03 -1.02 0.20 118.70 121.87 3i22 s GLU 81 Ca -0.03 -1.69 -0.13 0.00 0.03 0.00 0.00 54.97 53.15 3i22 s GLU 81 Cb -0.03 0.42 0.07 0.00 -0.80 0.00 0.00 34.13 33.79 3i22 s GLU 81 CO 0.02 -0.73 0.33 -0.47 -1.33 0.00 0.00 175.26 173.08 3i22 s TYR 82 N -3.31 3.28 -0.63 4.83 6.04 -1.26 -3.10 117.35 123.20 3i22 s TYR 82 Ca 0.31 -1.17 -0.27 0.00 0.04 0.00 0.00 57.07 55.98 3i22 s TYR 82 Cb 0.00 -3.04 0.00 0.00 -1.04 0.00 0.00 41.96 37.88 3i22 s TYR 82 CO 0.18 -0.81 1.56 0.34 -1.54 0.00 0.00 175.55 175.29 3i22 s ASP 83 N 2.35 5.79 0.00 4.32 -1.08 -1.26 -4.86 116.67 121.93 3i22 s ASP 83 Ca 0.04 0.12 0.05 0.00 -0.52 0.00 0.00 52.55 52.24 3i22 s ASP 83 Cb -0.23 -2.54 0.32 0.00 -1.46 0.00 0.00 42.92 39.00 3i22 s ASP 83 CO 0.05 -2.01 0.75 -0.81 0.52 0.00 0.00 175.17 173.67 3i22 n PRO 84 N 9.07 0.19 0.00 4.34 -0.04 -1.26 -1.91 135.00 145.39 3i22 n PRO 84 Ca 0.13 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.72 3i22 n PRO 84 Cb 0.50 -1.45 0.25 0.00 -0.04 0.00 0.00 33.50 32.77 3i22 n PRO 84 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3i22 n ASN 85 N -0.95 1.79 -3.69 3.54 4.13 -1.26 -4.92 115.26 113.91 3i22 n ASN 85 Ca 0.04 -1.41 -0.14 0.00 1.68 0.00 0.00 54.58 54.74 3i22 n ASN 85 Cb 0.02 0.17 -0.08 0.00 -1.54 0.00 0.00 39.78 38.34 3i22 n ASN 85 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i22 s ARG 86 N -2.28 0.68 0.15 3.52 1.70 -0.80 -5.07 118.95 116.86 3i22 s ARG 86 Ca 0.27 0.41 -0.16 0.00 -0.47 0.00 0.00 55.73 55.77 3i22 s ARG 86 Cb 0.19 0.32 0.02 0.00 -0.57 0.00 0.00 34.95 34.92 3i22 s ARG 86 CO 0.45 -0.14 1.81 0.66 -1.08 0.00 0.00 175.30 177.00 3i22 h SER 87 N 4.60 0.49 -2.82 -2.89 4.64 -1.88 -3.44 113.55 112.24 3i22 h SER 87 Ca -0.28 -0.03 -0.40 0.00 -0.47 0.00 0.00 61.79 60.62 3i22 h SER 87 Cb 1.17 -0.12 0.21 0.00 -0.31 0.00 0.00 62.40 63.35 3i22 h SER 87 CO 0.27 0.37 -0.27 0.00 -0.87 0.00 0.00 176.83 176.33 3i22 n ALA 88 N -2.22 -3.72 -2.32 5.18 0.00 -1.26 -4.62 120.51 111.56 3i22 n ALA 88 Ca 0.01 -1.45 0.00 0.00 0.00 0.00 0.00 53.44 52.00 3i22 n ALA 88 Cb 0.03 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 17.79 3i22 n ALA 88 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i22 n ASN 89 N -4.40 0.08 -3.59 0.00 5.03 -1.26 -4.69 115.26 106.43 3i22 n ASN 89 Ca 0.05 -0.28 -0.16 0.00 0.87 0.00 0.00 54.58 55.06 3i22 n ASN 89 Cb 0.56 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 39.25 3i22 n ASN 89 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 3i22 s ILE 90 N 1.66 0.02 0.08 2.41 2.07 -1.18 -3.54 121.20 122.72 3i22 s ILE 90 Ca 0.00 -0.17 0.03 0.00 -1.41 0.00 0.00 60.65 59.10 3i22 s ILE 90 Cb 0.00 -0.89 -0.03 0.00 0.13 0.00 0.00 42.46 41.67 3i22 s ILE 90 CO 0.00 -0.10 -0.10 0.00 -1.91 0.00 0.00 174.94 172.84 3i22 s ALA 91 N -1.48 0.93 -0.14 1.50 0.00 -0.39 -2.43 121.76 119.76 3i22 s ALA 91 Ca -0.11 -1.04 -0.17 0.00 0.00 0.00 0.00 51.96 50.65 3i22 s ALA 91 Cb -0.02 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 3i22 s ALA 91 CO 0.06 -0.02 0.43 -1.17 0.00 0.00 0.00 175.76 175.06 3i22 s LEU 92 N -2.12 4.26 -0.19 0.00 2.96 -1.01 -1.54 118.68 121.04 3i22 s LEU 92 Ca -0.00 0.71 -0.22 0.00 -0.22 0.00 0.00 54.13 54.41 3i22 s LEU 92 Cb -0.05 -2.60 -0.20 0.00 0.50 0.00 0.00 46.19 43.83 3i22 s LEU 92 CO -0.00 0.02 0.30 1.62 -1.32 0.00 0.00 176.35 176.96 3i22 h VAL 93 N 4.74 1.02 -5.81 1.68 3.04 -1.77 0.12 116.25 119.26 3i22 h VAL 93 Ca -0.41 -2.21 0.00 0.00 -1.01 0.00 0.00 66.70 63.07 3i22 h VAL 93 Cb 1.17 2.39 -0.02 0.00 -2.01 0.00 0.00 31.29 32.82 3i22 h VAL 93 CO 0.75 0.38 -0.91 -0.11 -1.01 0.00 0.00 177.57 176.67 3i22 n LEU 94 N -4.41 -5.38 -4.84 3.16 7.94 -1.26 -2.21 117.00 110.00 3i22 n LEU 94 Ca -0.29 1.03 -0.32 0.00 -1.11 0.00 0.00 56.01 55.31 3i22 n LEU 94 Cb 0.67 -2.30 -0.03 0.00 0.53 0.00 0.00 43.42 42.29 3i22 n LEU 94 CO 0.22 -2.50 0.68 -0.31 -1.11 0.00 0.00 177.39 174.38 3i22 s TYR 95 N -0.99 3.42 -0.77 1.96 2.02 -1.19 -1.14 117.35 120.66 3i22 s TYR 95 Ca -0.03 1.47 0.00 0.00 -0.37 0.00 0.00 57.07 58.14 3i22 s TYR 95 Cb 0.00 -2.81 0.00 0.00 -0.40 0.00 0.00 41.96 38.76 3i22 s TYR 95 CO 0.33 -0.41 0.38 1.63 -1.57 0.00 0.00 175.55 175.90 3i22 n LYS 96 N -1.59 0.61 0.00 -0.62 4.76 0.82 -3.88 118.16 118.26 3i22 n LYS 96 Ca 0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 3i22 n LYS 96 Cb 0.54 -1.28 0.00 0.00 -1.84 0.00 0.00 35.03 32.45 3i22 n LYS 96 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3i22 n ASP 97 N 0.31 0.00 0.00 4.39 4.64 -1.26 -5.03 116.55 119.60 3i22 n ASP 97 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 3i22 n ASP 97 Cb 0.19 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.27 3i22 n ASP 97 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3i22 n GLY 98 N 4.46 -0.82 3.40 0.27 0.00 -1.25 -5.14 105.19 106.10 3i22 n GLY 98 Ca 0.00 0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 3i22 n GLY 98 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i22 n GLU 99 N -1.77 -0.04 -3.67 1.61 2.13 -1.26 -4.62 120.64 113.02 3i22 n GLU 99 Ca 0.00 0.03 -0.19 0.00 0.66 0.00 0.00 57.16 57.66 3i22 n GLU 99 Cb 0.00 -1.76 -0.17 0.00 0.27 0.00 0.00 31.44 29.78 3i22 n GLU 99 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3i22 s ARG 100 N -3.13 -0.05 0.35 5.31 0.52 -1.26 -3.16 118.95 117.54 3i22 s ARG 100 Ca 0.59 0.43 0.09 0.00 -0.52 0.00 0.00 55.73 56.31 3i22 s ARG 100 Cb -0.26 -0.44 -0.05 0.00 0.52 0.00 0.00 34.95 34.72 3i22 s ARG 100 CO 0.65 -0.32 0.05 1.03 0.02 0.00 0.00 175.30 176.74 3i22 s ARG 101 N 2.17 2.13 -0.36 3.54 0.52 -1.26 -4.89 118.95 120.80 3i22 s ARG 101 Ca 0.04 -1.76 -0.23 0.00 -0.52 0.00 0.00 55.73 53.26 3i22 s ARG 101 Cb -0.12 -1.95 0.01 0.00 0.52 0.00 0.00 34.95 33.41 3i22 s ARG 101 CO -0.04 0.09 0.79 0.71 0.02 0.00 0.00 175.30 176.87 3i22 s TYR 102 N -2.53 3.11 -0.03 -0.53 2.02 -1.26 -2.58 117.35 115.56 3i22 s TYR 102 Ca 0.36 0.56 -0.04 0.00 -0.37 0.00 0.00 57.07 57.59 3i22 s TYR 102 Cb 0.01 -3.41 -0.04 0.00 -0.40 0.00 0.00 41.96 38.12 3i22 s TYR 102 CO 0.20 -0.74 0.18 -1.50 -1.57 0.00 0.00 175.55 172.12 3i22 s ILE 103 N 3.11 5.45 -0.78 2.71 1.10 -0.59 -0.49 121.20 131.72 3i22 s ILE 103 Ca 0.31 -0.09 -0.26 0.00 -0.51 0.00 0.00 60.65 60.11 3i22 s ILE 103 Cb -0.13 -3.51 0.01 0.00 0.15 0.00 0.00 42.46 38.98 3i22 s ILE 103 CO 0.17 0.38 1.51 -0.22 -2.11 0.00 0.00 174.94 174.67 3i22 s LEU 104 N -1.76 3.25 -0.03 8.50 2.96 -1.26 -1.26 118.68 129.08 3i22 s LEU 104 Ca 0.25 -0.48 -0.38 0.00 -0.22 0.00 0.00 54.13 53.30 3i22 s LEU 104 Cb -0.12 -2.55 -0.17 0.00 0.50 0.00 0.00 46.19 43.84 3i22 s LEU 104 CO 0.16 -1.99 1.45 0.00 -1.32 0.00 0.00 176.35 174.65 3i22 n ALA 105 N 10.49 -0.90 -1.64 5.97 0.00 -1.23 -4.84 120.51 128.36 3i22 n ALA 105 Ca 0.16 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.09 3i22 n ALA 105 Cb 0.50 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.85 3i22 n ALA 105 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3i22 n PRO 106 N 3.30 3.62 0.05 0.00 -0.05 -1.26 -1.37 135.00 139.29 3i22 n PRO 106 Ca 0.21 0.00 -0.11 0.00 -0.05 0.00 0.00 63.50 63.55 3i22 n PRO 106 Cb 0.16 0.00 -0.00 0.00 -0.05 0.00 0.00 33.50 33.61 3i22 n PRO 106 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 175.50 177.02 3i22 h LYS 107 N 0.00 0.41 -4.85 0.54 2.10 -1.51 -2.17 116.57 111.09 3i22 h LYS 107 Ca 0.00 -0.37 -0.70 0.00 -2.00 0.00 0.00 60.65 57.58 3i22 h LYS 107 Cb 0.00 0.09 -0.19 0.00 -0.90 0.00 0.00 32.23 31.23 3i22 h LYS 107 CO 0.00 1.03 0.56 0.20 -2.00 0.00 0.00 179.45 179.24 3i22 s GLY 108 N -4.34 1.93 0.00 0.07 0.00 -1.26 -4.84 107.32 98.88 3i22 s GLY 108 Ca -0.06 -2.63 0.31 0.00 0.00 0.00 0.00 44.72 42.35 3i22 s GLY 108 CO 0.85 1.83 2.19 1.04 0.00 0.00 0.00 173.10 179.01 3i22 n LEU 109 N 6.30 0.10 -4.58 0.66 4.77 -1.26 -4.93 117.00 118.06 3i22 n LEU 109 Ca 0.13 -0.03 -0.44 0.00 -0.03 0.00 0.00 56.01 55.64 3i22 n LEU 109 Cb 0.47 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.55 3i22 n LEU 109 CO 0.51 0.02 0.52 1.17 -1.33 0.00 0.00 177.39 178.28 3i22 n LYS 110 N -0.92 1.27 -3.48 3.23 4.81 -1.26 -4.94 118.16 116.87 3i22 n LYS 110 Ca 0.23 0.45 -0.41 0.00 -0.87 0.00 0.00 58.31 57.71 3i22 n LYS 110 Cb 0.12 -1.85 -0.10 0.00 0.02 0.00 0.00 35.03 33.23 3i22 n LYS 110 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i22 s ALA 111 N -1.14 3.49 0.00 3.14 0.00 -1.26 -3.79 121.76 122.20 3i22 s ALA 111 Ca 0.60 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 51.06 3i22 s ALA 111 Cb -0.67 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 19.67 3i22 s ALA 111 CO 0.59 -1.19 0.00 0.41 0.00 0.00 0.00 175.76 175.57 3i22 n GLY 112 N 5.11 0.21 3.68 0.00 0.00 -1.22 -5.01 105.19 107.97 3i22 n GLY 112 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 3i22 n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i22 s ASP 113 N -0.09 6.65 -0.51 1.61 1.01 -1.25 -4.79 116.67 119.31 3i22 s ASP 113 Ca 0.00 2.39 -0.19 0.00 0.71 0.00 0.00 52.55 55.46 3i22 s ASP 113 Cb 0.00 -2.56 0.06 0.00 1.01 0.00 0.00 42.92 41.43 3i22 s ASP 113 CO 0.00 -0.86 0.65 -1.58 0.21 0.00 0.00 175.17 173.59 3i22 s GLN 114 N 2.80 3.13 0.39 8.23 0.74 -1.26 -2.77 119.66 130.93 3i22 s GLN 114 Ca 0.72 -0.86 0.08 0.00 0.05 0.00 0.00 55.36 55.35 3i22 s GLN 114 Cb -0.38 -4.10 -0.04 0.00 1.10 0.00 0.00 33.01 29.59 3i22 s GLN 114 CO 0.31 -1.26 0.21 0.96 -0.55 0.00 0.00 175.29 174.96 3i22 s ILE 115 N 2.74 2.57 0.33 -2.34 -4.36 0.23 -4.93 121.20 115.44 3i22 s ILE 115 Ca 0.16 -1.63 -0.18 0.00 -0.26 0.00 0.00 60.65 58.74 3i22 s ILE 115 Cb -0.19 -2.99 0.04 0.00 1.25 0.00 0.00 42.46 40.57 3i22 s ILE 115 CO 0.12 -0.05 0.75 -1.10 0.24 0.00 0.00 174.94 174.90 3i22 s GLN 116 N -3.93 2.00 -0.13 0.37 -0.21 -1.26 -1.70 119.66 114.80 3i22 s GLN 116 Ca 0.42 -1.21 -0.10 0.00 0.02 0.00 0.00 55.36 54.48 3i22 s GLN 116 Cb 0.01 0.62 0.04 0.00 1.00 0.00 0.00 33.01 34.67 3i22 s GLN 116 CO 0.24 -0.93 0.33 -1.54 -2.12 0.00 0.00 175.29 171.27 3i22 s SER 117 N -2.99 -0.36 0.00 5.90 1.04 -1.26 -2.46 113.70 113.57 3i22 s SER 117 Ca 0.13 0.68 0.00 0.00 0.48 0.00 0.00 55.95 57.24 3i22 s SER 117 Cb -0.06 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.72 3i22 s SER 117 CO 0.09 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.79 3i22 n GLY 118 N 3.23 2.43 0.31 7.32 0.00 -1.18 -0.51 105.19 116.80 3i22 n GLY 118 Ca -0.16 -0.90 0.16 0.00 0.00 0.00 0.00 46.02 45.12 3i22 n GLY 118 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i22 h VAL 119 N 0.82 0.47 0.00 1.61 2.07 -1.98 -3.20 116.25 116.04 3i22 h VAL 119 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3i22 h VAL 119 Cb 0.00 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3i22 h VAL 119 CO 0.00 0.00 0.00 -0.90 0.02 0.00 0.00 177.57 176.69 3i22 n ASP 120 N -3.78 0.00 -0.86 0.57 3.85 -1.26 -4.95 116.55 110.13 3i22 n ASP 120 Ca -0.01 0.11 0.10 0.00 -0.71 0.00 0.00 54.79 54.28 3i22 n ASP 120 Cb 0.17 -0.29 -0.03 0.00 -1.35 0.00 0.00 41.12 39.62 3i22 n ASP 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3i22 n ALA 121 N -1.80 -2.92 -1.22 2.12 0.00 -1.21 -4.90 120.51 110.58 3i22 n ALA 121 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3i22 n ALA 121 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3i22 n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i22 n ALA 122 N -1.97 0.00 -0.44 0.00 0.00 -1.26 -5.03 120.51 111.80 3i22 n ALA 122 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3i22 n ALA 122 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 3i22 n ALA 122 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3i22 n ILE 123 N 0.00 0.00 -1.17 0.00 0.13 -1.26 -5.05 119.36 112.02 3i22 n ILE 123 Ca 0.00 0.00 -0.32 0.00 -1.10 0.00 0.00 62.75 61.33 3i22 n ILE 123 Cb 0.00 1.42 0.11 0.00 -0.84 0.00 0.00 39.64 40.33 3i22 n ILE 123 CO 0.00 0.00 0.00 -1.59 2.80 0.00 0.00 176.55 177.76 3i22 s LYS 124 N 0.00 1.94 0.62 9.51 -2.85 -1.26 -4.94 119.74 122.76 3i22 s LYS 124 Ca 0.00 1.37 -0.18 0.00 -1.00 0.00 0.00 55.97 56.15 3i22 s LYS 124 Cb 0.00 -1.85 -0.04 0.00 -2.06 0.00 0.00 37.83 33.88 3i22 s LYS 124 CO 0.00 -1.91 1.01 -0.35 0.10 0.00 0.00 175.35 174.20 3i22 n PRO 125 N -3.53 0.90 -0.87 1.78 -0.04 -1.26 -3.01 135.00 128.97 3i22 n PRO 125 Ca 0.10 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 3i22 n PRO 125 Cb 0.52 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 3i22 n PRO 125 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i22 n GLY 126 N 1.24 0.50 3.22 0.55 0.00 0.93 -4.90 105.19 106.74 3i22 n GLY 126 Ca 0.14 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 3i22 n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i22 s ASN 127 N -2.50 3.61 0.04 1.61 -0.87 -1.16 -4.30 114.94 111.36 3i22 s ASN 127 Ca 0.00 -0.52 -0.15 0.00 -1.57 0.00 0.00 52.86 50.63 3i22 s ASN 127 Cb 0.00 -1.57 -0.06 0.00 -0.02 0.00 0.00 41.25 39.60 3i22 s ASN 127 CO 0.00 0.03 0.44 -0.89 -2.57 0.00 0.00 177.10 174.12 3i22 s THR 128 N 1.11 4.98 -0.20 1.60 2.01 -1.03 -2.22 115.64 121.89 3i22 s THR 128 Ca 0.00 0.84 -0.29 0.00 0.31 0.00 0.00 61.69 62.55 3i22 s THR 128 Cb -0.14 -3.73 0.14 0.00 0.01 0.00 0.00 72.50 68.77 3i22 s THR 128 CO -0.05 0.50 1.06 -1.48 -0.69 0.00 0.00 174.62 173.96 3i22 s LEU 129 N -1.29 -0.34 0.28 4.42 2.34 -1.26 -3.13 118.68 119.70 3i22 s LEU 129 Ca 0.27 0.43 -0.29 0.00 0.06 0.00 0.00 54.13 54.60 3i22 s LEU 129 Cb -0.17 1.76 -0.14 0.00 -0.56 0.00 0.00 46.19 47.08 3i22 s LEU 129 CO 0.15 -0.27 1.12 -0.81 -1.06 0.00 0.00 176.35 175.49 3i22 n PRO 130 N 0.99 1.52 0.31 1.48 -0.04 -1.26 -2.58 135.00 135.42 3i22 n PRO 130 Ca -0.10 0.53 0.21 0.00 -0.04 0.00 0.00 63.50 64.11 3i22 n PRO 130 Cb 0.58 -1.99 1.10 0.00 -0.04 0.00 0.00 33.50 33.15 3i22 n PRO 130 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 3i22 h MET 131 N 2.51 0.00 -1.25 0.54 2.86 -1.83 0.22 114.93 117.98 3i22 h MET 131 Ca -0.42 0.00 0.38 0.00 -2.06 0.00 0.00 59.70 57.60 3i22 h MET 131 Cb 1.32 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.88 3i22 h MET 131 CO 0.64 0.00 0.83 -0.09 1.06 0.00 0.00 176.91 179.34 3i22 h ARG 132 N 0.00 0.16 -0.33 1.72 9.65 -1.87 -2.18 114.38 121.54 3i22 h ARG 132 Ca 0.00 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 3i22 h ARG 132 Cb 0.05 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.60 3i22 h ARG 132 CO 0.00 0.11 0.00 0.09 2.80 0.00 0.00 179.97 182.97 3i22 n ASN 133 N -4.57 2.90 -4.32 -3.80 3.02 0.78 -4.94 115.26 104.33 3i22 n ASN 133 Ca 0.33 -1.89 -0.33 0.00 -0.03 0.00 0.00 54.58 52.66 3i22 n ASN 133 Cb 1.27 -0.21 -0.15 0.00 -0.61 0.00 0.00 39.78 40.07 3i22 n ASN 133 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3i22 s ILE 134 N -1.04 2.78 0.77 2.41 -4.36 -0.82 -5.04 121.20 115.91 3i22 s ILE 134 Ca 0.26 -0.75 -0.16 0.00 -0.26 0.00 0.00 60.65 59.74 3i22 s ILE 134 Cb 0.14 -2.16 -0.05 0.00 1.25 0.00 0.00 42.46 41.65 3i22 s ILE 134 CO 0.19 0.53 0.31 -0.81 0.24 0.00 0.00 174.94 175.39 3i22 n PRO 135 N 3.67 0.14 -2.61 0.37 -0.04 -1.26 -4.92 135.00 130.34 3i22 n PRO 135 Ca -0.18 0.08 -0.38 0.00 -0.04 0.00 0.00 63.50 62.98 3i22 n PRO 135 Cb 0.52 -1.67 -0.05 0.00 -0.04 0.00 0.00 33.50 32.26 3i22 n PRO 135 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3i22 s VAL 136 N -2.01 3.84 0.00 0.52 -7.23 -1.26 -3.37 120.40 110.88 3i22 s VAL 136 Ca 0.60 1.54 0.00 0.00 -1.81 0.00 0.00 61.98 62.31 3i22 s VAL 136 Cb -0.32 -3.86 0.00 0.00 0.56 0.00 0.00 36.38 32.76 3i22 s VAL 136 CO 0.63 0.14 0.00 0.61 -0.31 0.00 0.00 175.10 176.17 3i22 n GLY 137 N 0.62 3.30 3.68 2.32 0.00 0.24 -4.99 105.19 110.37 3i22 n GLY 137 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 3i22 n GLY 137 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i22 n SER 138 N 0.02 2.97 -4.66 1.61 7.64 -1.22 -4.46 113.62 115.52 3i22 n SER 138 Ca 0.00 1.13 -0.41 0.00 1.01 0.00 0.00 58.87 60.60 3i22 n SER 138 Cb 0.00 -1.45 -0.05 0.00 -1.01 0.00 0.00 64.21 61.70 3i22 n SER 138 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3i22 s THR 139 N 0.11 4.92 0.00 0.44 -4.23 -1.26 -3.24 115.64 112.38 3i22 s THR 139 Ca 0.69 1.48 0.00 0.00 -1.18 0.00 0.00 61.69 62.68 3i22 s THR 139 Cb -0.63 -4.07 0.00 0.00 1.34 0.00 0.00 72.50 69.14 3i22 s THR 139 CO 0.47 0.05 0.00 1.33 -0.54 0.00 0.00 174.62 175.93 3i22 n VAL 140 N 4.77 0.00 0.00 2.29 0.24 0.25 -1.98 118.33 123.89 3i22 n VAL 140 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 3i22 n VAL 140 Cb 0.49 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 3i22 n VAL 140 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 3i22 n HIS 141 N 0.00 0.00 -2.58 6.34 -0.00 -0.94 -2.78 115.22 115.26 3i22 n HIS 141 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.35 3i22 n HIS 141 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.00 3i22 n HIS 141 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 3i22 n ASN 142 N 0.00 6.66 -4.60 0.26 2.85 0.43 -4.41 115.26 116.45 3i22 n ASN 142 Ca 0.00 -3.71 -0.50 0.00 -0.11 0.00 0.00 54.58 50.25 3i22 n ASN 142 Cb 0.00 -0.99 -0.05 0.00 1.24 0.00 0.00 39.78 39.98 3i22 n ASN 142 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 3i22 n VAL 143 N -0.20 0.23 -3.57 3.44 0.31 -1.04 -4.56 118.33 112.93 3i22 n VAL 143 Ca 0.44 -0.06 -0.31 0.00 -0.01 0.00 0.00 64.34 64.41 3i22 n VAL 143 Cb 0.30 -0.95 -0.05 0.00 -0.91 0.00 0.00 33.84 32.24 3i22 n VAL 143 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3i22 s GLU 144 N 0.32 3.66 -0.22 5.55 2.12 -1.13 -2.13 118.70 126.87 3i22 s GLU 144 Ca 0.81 -0.00 -0.02 0.00 0.36 0.00 0.00 54.97 56.12 3i22 s GLU 144 Cb -0.88 -2.77 -0.13 0.00 0.26 0.00 0.00 34.13 30.61 3i22 s GLU 144 CO 0.47 0.40 -0.21 -1.33 -0.54 0.00 0.00 175.26 174.04 3i22 n MET 145 N -0.13 0.52 -4.24 4.30 2.81 -1.26 -4.82 117.12 114.30 3i22 n MET 145 Ca -0.02 0.14 -0.35 0.00 -1.81 0.00 0.00 57.70 55.67 3i22 n MET 145 Cb 0.52 -1.39 -0.10 0.00 -0.71 0.00 0.00 33.22 31.54 3i22 n MET 145 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3i22 s LYS 146 N -2.42 3.47 0.00 0.03 -0.14 -1.26 -4.07 119.74 115.35 3i22 s LYS 146 Ca -0.29 -0.40 0.00 0.00 -1.36 0.00 0.00 55.97 53.92 3i22 s LYS 146 Cb 0.08 -2.97 0.00 0.00 -1.68 0.00 0.00 37.83 33.26 3i22 s LYS 146 CO 0.47 0.48 0.39 -0.35 -0.76 0.00 0.00 175.35 175.57 3i22 n PRO 147 N 2.86 0.00 0.00 -1.68 -0.04 -1.26 -0.56 135.00 134.32 3i22 n PRO 147 Ca -0.18 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 3i22 n PRO 147 Cb 0.53 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 3i22 n PRO 147 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i22 n GLY 148 N -0.89 1.00 0.00 0.55 0.00 -1.26 -4.76 105.19 99.83 3i22 n GLY 148 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i22 n GLY 148 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i22 n LYS 149 N 0.00 0.00 0.00 1.61 4.81 0.28 -4.73 118.16 120.13 3i22 n LYS 149 Ca 0.00 0.39 0.00 0.00 -0.87 0.00 0.00 58.31 57.83 3i22 n LYS 149 Cb 0.10 -1.60 0.00 0.00 0.02 0.00 0.00 35.03 33.55 3i22 n LYS 149 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i22 n GLY 150 N -1.39 0.97 0.94 3.14 0.00 -1.26 -4.92 105.19 102.67 3i22 n GLY 150 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3i22 n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i22 n GLY 151 N 0.00 -1.82 2.61 -0.02 0.00 -1.26 0.54 105.19 105.24 3i22 n GLY 151 Ca 0.00 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 3i22 n GLY 151 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3i22 s GLN 152 N -0.83 0.87 -0.29 1.61 1.03 -0.91 -4.75 119.66 116.39 3i22 s GLN 152 Ca 0.00 -1.54 -0.17 0.00 0.04 0.00 0.00 55.36 53.69 3i22 s GLN 152 Cb 0.00 -1.84 0.17 0.00 0.03 0.00 0.00 33.01 31.37 3i22 s GLN 152 CO 0.00 -1.15 1.12 -1.17 -2.54 0.00 0.00 175.29 171.56 3i22 s LEU 153 N 0.90 -0.30 -0.56 2.60 2.96 -1.04 -4.83 118.68 118.41 3i22 s LEU 153 Ca 0.16 0.50 -0.11 0.00 -0.22 0.00 0.00 54.13 54.45 3i22 s LEU 153 Cb -0.22 1.46 0.02 0.00 0.50 0.00 0.00 46.19 47.94 3i22 s LEU 153 CO -0.05 -0.08 0.64 0.00 -1.32 0.00 0.00 176.35 175.54 3i22 n ALA 154 N 3.18 -2.77 0.00 5.97 0.00 -1.26 -2.51 120.51 123.12 3i22 n ALA 154 Ca -0.17 0.62 0.00 0.00 0.00 0.00 0.00 53.44 53.89 3i22 n ALA 154 Cb 0.57 -2.71 0.00 0.00 0.00 0.00 0.00 19.45 17.31 3i22 n ALA 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i22 n ARG 155 N -0.93 3.39 -2.03 0.00 1.74 -1.26 -4.19 116.66 113.37 3i22 n ARG 155 Ca 0.04 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.73 3i22 n ARG 155 Cb 0.51 -0.58 0.01 0.00 -1.02 0.00 0.00 32.46 31.38 3i22 n ARG 155 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3i22 s SER 156 N -0.71 5.90 -0.41 0.55 0.15 -1.26 -4.37 113.70 113.55 3i22 s SER 156 Ca 0.00 2.57 -0.43 0.00 0.70 0.00 0.00 55.95 58.79 3i22 s SER 156 Cb 0.00 -2.62 -0.18 0.00 -1.71 0.00 0.00 66.02 61.51 3i22 s SER 156 CO 0.00 -1.12 1.76 0.00 1.20 0.00 0.00 173.24 175.08 3i22 n ALA 157 N -0.49 -0.54 0.00 5.45 0.00 -1.26 -1.48 120.51 122.19 3i22 n ALA 157 Ca 0.07 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.89 3i22 n ALA 157 Cb 0.46 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.81 3i22 n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i22 n GLY 158 N 4.69 1.43 3.47 0.00 0.00 -0.47 -4.46 105.19 109.84 3i22 n GLY 158 Ca 0.33 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.05 3i22 n GLY 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i22 s THR 159 N -2.37 1.54 0.00 2.61 -4.23 -0.55 -4.59 115.64 108.05 3i22 s THR 159 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 3i22 s THR 159 Cb 0.00 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.57 3i22 s THR 159 CO 0.00 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.08 3i22 n TYR 160 N -5.08 0.00 -4.83 3.99 0.18 -1.26 -1.30 117.16 108.86 3i22 n TYR 160 Ca 0.11 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.60 3i22 n TYR 160 Cb 0.59 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.40 3i22 n TYR 160 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3i22 s VAL 161 N -1.83 2.03 -0.00 -3.48 1.01 -1.26 -4.11 120.40 112.75 3i22 s VAL 161 Ca 0.00 -1.36 0.03 0.00 0.00 0.00 0.00 61.98 60.65 3i22 s VAL 161 Cb 0.00 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 3i22 s VAL 161 CO 0.00 0.32 -0.07 -1.10 0.00 0.00 0.00 175.10 174.25 3i22 s GLN 162 N -1.25 2.55 -0.47 2.72 -0.21 -1.07 0.84 119.66 122.78 3i22 s GLN 162 Ca 0.11 -0.72 -0.12 0.00 0.02 0.00 0.00 55.36 54.65 3i22 s GLN 162 Cb -0.10 -2.50 0.10 0.00 1.00 0.00 0.00 33.01 31.51 3i22 s GLN 162 CO 0.02 0.61 0.36 0.42 -2.12 0.00 0.00 175.29 174.58 3i22 s ILE 163 N -0.98 4.65 -0.08 1.08 1.01 -1.20 -0.05 121.20 125.64 3i22 s ILE 163 Ca 0.17 -1.44 -0.19 0.00 0.00 0.00 0.00 60.65 59.18 3i22 s ILE 163 Cb -0.11 -3.91 -0.29 0.00 0.01 0.00 0.00 42.46 38.16 3i22 s ILE 163 CO 0.07 -0.66 0.72 0.58 0.00 0.00 0.00 174.94 175.65 3i22 h VAL 164 N 5.98 1.28 -4.17 2.92 2.07 -1.77 0.70 116.25 123.26 3i22 h VAL 164 Ca -0.25 -2.47 -0.15 0.00 0.82 0.00 0.00 66.70 64.65 3i22 h VAL 164 Cb 1.09 2.96 -0.13 0.00 -1.52 0.00 0.00 31.29 33.69 3i22 h VAL 164 CO 0.87 0.70 -0.42 0.00 0.02 0.00 0.00 177.57 178.73 3i22 s ALA 165 N -2.45 0.50 -0.08 1.67 0.00 -0.99 -4.78 121.76 115.64 3i22 s ALA 165 Ca -0.17 -1.28 0.10 0.00 0.00 0.00 0.00 51.96 50.61 3i22 s ALA 165 Cb 0.03 1.13 0.21 0.00 0.00 0.00 0.00 23.12 24.48 3i22 s ALA 165 CO 0.80 -0.66 1.14 2.89 0.00 0.00 0.00 175.76 179.93 3i22 n ARG 166 N -0.27 0.37 -2.11 0.00 1.85 -1.26 -1.36 116.66 113.89 3i22 n ARG 166 Ca -0.02 -1.44 -0.42 0.00 -1.00 0.00 0.00 57.85 54.97 3i22 n ARG 166 Cb 0.64 0.22 -0.03 0.00 -1.05 0.00 0.00 32.46 32.24 3i22 n ARG 166 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 3i22 s ASP 167 N -1.45 6.75 0.00 2.89 -1.08 -1.24 -4.61 116.67 117.93 3i22 s ASP 167 Ca 0.11 2.19 0.00 0.00 -0.52 0.00 0.00 52.55 54.33 3i22 s ASP 167 Cb 0.19 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 39.10 3i22 s ASP 167 CO -0.06 -0.83 0.00 0.61 0.52 0.00 0.00 175.17 175.41 3i22 n GLY 168 N 3.88 -1.87 0.00 2.66 0.00 -1.26 -4.23 105.19 104.37 3i22 n GLY 168 Ca 0.15 -1.77 0.12 0.00 0.00 0.00 0.00 46.02 44.52 3i22 n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i22 n ALA 169 N 0.01 2.35 -2.67 4.61 0.00 -1.26 -4.77 120.51 118.78 3i22 n ALA 169 Ca 0.00 -0.14 -0.28 0.00 0.00 0.00 0.00 53.44 53.01 3i22 n ALA 169 Cb 0.00 -1.38 -0.08 0.00 0.00 0.00 0.00 19.45 17.99 3i22 n ALA 169 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3i22 s TYR 170 N -2.04 2.91 -0.08 0.00 4.12 -1.26 -4.32 117.35 116.68 3i22 s TYR 170 Ca 0.34 -0.09 0.05 0.00 0.02 0.00 0.00 57.07 57.39 3i22 s TYR 170 Cb 0.16 -1.46 -0.01 0.00 -1.52 0.00 0.00 41.96 39.14 3i22 s TYR 170 CO 0.27 0.49 -0.24 0.08 0.02 0.00 0.00 175.55 176.18 3i22 s VAL 171 N -1.50 2.11 -0.21 0.71 1.01 -0.85 -3.70 120.40 117.96 3i22 s VAL 171 Ca 0.26 -1.03 -0.09 0.00 0.00 0.00 0.00 61.98 61.13 3i22 s VAL 171 Cb -0.10 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 3i22 s VAL 171 CO 0.18 0.56 0.10 0.42 0.00 0.00 0.00 175.10 176.37 3i22 s THR 172 N 0.05 4.95 0.31 3.92 -4.23 -0.46 0.41 115.64 120.59 3i22 s THR 172 Ca -0.10 0.03 0.08 0.00 -1.18 0.00 0.00 61.69 60.52 3i22 s THR 172 Cb -0.16 -3.27 -0.06 0.00 1.34 0.00 0.00 72.50 70.35 3i22 s THR 172 CO 0.06 0.41 -0.08 -1.48 -0.54 0.00 0.00 174.62 172.98 3i22 s LEU 173 N 0.76 2.61 -0.30 4.79 -0.00 -0.19 -2.12 118.68 124.23 3i22 s LEU 173 Ca 0.05 -1.19 -0.12 0.00 -0.00 0.00 0.00 54.13 52.87 3i22 s LEU 173 Cb -0.13 -0.84 -0.04 0.00 -0.00 0.00 0.00 46.19 45.18 3i22 s LEU 173 CO 0.02 -0.26 0.24 -0.60 -0.00 0.00 0.00 176.35 175.75 3i22 s ARG 174 N -3.66 3.83 0.18 1.48 6.06 0.93 -2.39 118.95 125.39 3i22 s ARG 174 Ca 0.31 -0.35 -0.04 0.00 -2.50 0.00 0.00 55.73 53.14 3i22 s ARG 174 Cb 0.03 -3.70 -0.05 0.00 0.06 0.00 0.00 34.95 31.28 3i22 s ARG 174 CO 0.14 -0.28 0.42 -0.51 -2.50 0.00 0.00 175.30 172.57 3i22 s LEU 175 N 1.81 4.22 0.43 -0.88 1.43 -0.29 -2.60 118.68 122.80 3i22 s LEU 175 Ca 0.08 0.58 0.22 0.00 -1.03 0.00 0.00 54.13 53.99 3i22 s LEU 175 Cb -0.16 -3.34 1.20 0.00 0.03 0.00 0.00 46.19 43.92 3i22 s LEU 175 CO 0.11 -0.02 1.80 0.03 0.23 0.00 0.00 176.35 178.50 3i22 h ARG 176 N 2.44 0.30 0.00 1.70 2.47 -1.88 3.82 114.38 123.22 3i22 h ARG 176 Ca -0.47 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.24 3i22 h ARG 176 Cb 1.17 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.43 3i22 h ARG 176 CO 0.70 0.20 0.00 0.66 0.56 0.00 0.00 179.97 182.09 3i22 h SER 177 N 0.31 0.00 0.00 7.04 4.64 -1.95 -3.45 113.55 120.13 3i22 h SER 177 Ca 0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 3i22 h SER 177 Cb 1.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 3i22 h SER 177 CO -0.21 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.36 3i22 n GLY 178 N -0.48 3.29 3.56 -0.77 0.00 1.26 -4.72 105.19 107.34 3i22 n GLY 178 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3i22 n GLY 178 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i22 n GLU 179 N -1.31 1.09 -3.97 1.61 2.13 -1.19 -4.43 120.64 114.57 3i22 n GLU 179 Ca 0.00 0.39 -0.33 0.00 0.66 0.00 0.00 57.16 57.89 3i22 n GLU 179 Cb 0.00 -1.88 -0.14 0.00 0.27 0.00 0.00 31.44 29.69 3i22 n GLU 179 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 3i22 s MET 180 N -1.90 1.92 0.24 5.31 -1.94 -0.69 -1.14 119.30 121.10 3i22 s MET 180 Ca 0.64 -1.63 0.10 0.00 -1.71 0.00 0.00 55.69 53.09 3i22 s MET 180 Cb -0.58 -3.18 -0.04 0.00 2.01 0.00 0.00 34.83 33.04 3i22 s MET 180 CO 0.57 -0.81 -0.11 0.50 -0.01 0.00 0.00 175.02 175.15 3i22 s ARG 181 N 1.05 1.97 0.17 2.03 3.52 -1.00 -1.73 118.95 124.96 3i22 s ARG 181 Ca 0.03 -1.49 -0.06 0.00 -0.13 0.00 0.00 55.73 54.08 3i22 s ARG 181 Cb -0.20 -2.01 -0.06 0.00 -1.56 0.00 0.00 34.95 31.11 3i22 s ARG 181 CO -0.05 0.38 0.43 0.15 -0.81 0.00 0.00 175.30 175.40 3i22 s LYS 182 N -3.28 3.68 0.12 5.12 1.02 -0.10 -1.02 119.74 125.27 3i22 s LYS 182 Ca 0.28 0.03 0.04 0.00 0.02 0.00 0.00 55.97 56.33 3i22 s LYS 182 Cb -0.07 -2.78 -0.04 0.00 -0.52 0.00 0.00 37.83 34.42 3i22 s LYS 182 CO 0.16 0.41 -0.09 0.54 -0.92 0.00 0.00 175.35 175.45 3i22 s VAL 183 N -1.72 0.97 0.55 3.17 0.11 0.16 -4.90 120.40 118.75 3i22 s VAL 183 Ca 0.43 -1.90 0.14 0.00 -2.93 0.00 0.00 61.98 57.72 3i22 s VAL 183 Cb -0.12 -1.65 0.14 0.00 -1.53 0.00 0.00 36.38 33.22 3i22 s VAL 183 CO 0.24 -0.72 1.39 -0.33 -3.33 0.00 0.00 175.10 172.34 3i22 h GLU 184 N 3.08 0.00 -6.00 1.54 4.39 -1.85 -2.26 114.58 113.48 3i22 h GLU 184 Ca -0.36 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 58.94 3i22 h GLU 184 Cb 1.18 0.00 0.08 0.00 -0.10 0.00 0.00 28.75 29.91 3i22 h GLU 184 CO 0.60 0.00 -0.82 0.00 -1.16 0.00 0.00 179.01 177.64 3i22 n ALA 185 N -1.64 -2.02 -0.79 3.43 0.00 -1.26 -4.64 120.51 113.59 3i22 n ALA 185 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3i22 n ALA 185 Cb 0.64 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 18.04 3i22 n ALA 185 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i22 n ASP 186 N -3.07 0.00 -3.87 0.00 4.64 -1.26 -4.18 116.55 108.81 3i22 n ASP 186 Ca -0.30 -0.08 -0.20 0.00 -1.38 0.00 0.00 54.79 52.84 3i22 n ASP 186 Cb 0.68 0.00 -0.16 0.00 -1.04 0.00 0.00 41.12 40.59 3i22 n ASP 186 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3i22 n ARG 188 N 4.18 -1.14 0.00 0.00 3.00 -1.26 -2.88 116.66 118.55 3i22 n ARG 188 Ca -0.23 -0.30 0.00 0.00 -0.01 0.00 0.00 57.85 57.30 3i22 n ARG 188 Cb 0.51 -1.82 0.00 0.00 0.00 0.00 0.00 32.46 31.15 3i22 n ARG 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i22 n ALA 189 N -4.16 2.71 0.00 7.54 0.00 -1.07 -2.86 120.51 122.68 3i22 n ALA 189 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3i22 n ALA 189 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 3i22 n ALA 189 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3i22 n THR 190 N -2.34 -0.52 -4.10 0.00 -1.04 -1.24 -0.43 114.28 104.61 3i22 n THR 190 Ca 0.00 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.67 3i22 n THR 190 Cb 0.00 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 3i22 n THR 190 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3i22 s LEU 191 N -1.80 3.97 0.00 -4.42 2.01 -0.94 -2.21 118.68 115.29 3i22 s LEU 191 Ca 0.00 0.24 0.00 0.00 0.01 0.00 0.00 54.13 54.38 3i22 s LEU 191 Cb 0.00 -2.15 0.00 0.00 0.01 0.00 0.00 46.19 44.05 3i22 s LEU 191 CO 0.00 0.33 0.00 0.61 1.01 0.00 0.00 176.35 178.30 3i22 n GLY 192 N 1.57 1.93 3.36 -3.19 0.00 -0.84 -0.05 105.19 107.97 3i22 n GLY 192 Ca -0.16 -1.29 -0.40 0.00 0.00 0.00 0.00 46.02 44.17 3i22 n GLY 192 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i22 n GLU 193 N 2.49 0.24 -2.05 1.61 4.71 -1.18 -4.31 120.64 122.14 3i22 n GLU 193 Ca 0.00 0.09 -0.42 0.00 -0.01 0.00 0.00 57.16 56.82 3i22 n GLU 193 Cb 0.00 -1.26 -0.03 0.00 -1.01 0.00 0.00 31.44 29.14 3i22 n GLU 193 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3i22 s VAL 194 N -1.72 2.94 0.00 2.62 0.11 -0.42 -1.50 120.40 122.43 3i22 s VAL 194 Ca 0.61 0.68 0.00 0.00 -2.93 0.00 0.00 61.98 60.35 3i22 s VAL 194 Cb -0.55 -3.44 0.00 0.00 -1.53 0.00 0.00 36.38 30.86 3i22 s VAL 194 CO 0.61 0.05 0.00 0.61 -3.33 0.00 0.00 175.10 173.04 3i22 n GLY 195 N 3.58 -1.79 6.57 6.54 0.00 -0.47 -1.37 105.19 118.25 3i22 n GLY 195 Ca 0.12 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3i22 n GLY 195 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i22 n ASN 196 N -1.15 0.00 0.00 1.61 4.05 -1.26 -1.52 115.26 116.99 3i22 n ASN 196 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 3i22 n ASN 196 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 3i22 n ASN 196 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3i22 n ALA 197 N 5.35 0.00 -1.96 5.20 0.00 -1.26 -4.80 120.51 123.03 3i22 n ALA 197 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 3i22 n ALA 197 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 3i22 n ALA 197 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3i22 s GLU 198 N 0.00 2.18 0.00 0.00 -1.05 -1.26 -3.80 118.70 114.78 3i22 s GLU 198 Ca 0.00 -0.98 0.00 0.00 -0.15 0.00 0.00 54.97 53.84 3i22 s GLU 198 Cb 0.00 -5.18 0.00 0.00 -0.44 0.00 0.00 34.13 28.51 3i22 s GLU 198 CO 0.00 -4.34 0.00 1.58 0.95 0.00 0.00 175.26 173.45 3i22 n HIS 199 N 15.64 0.00 1.70 4.83 -0.00 -1.26 -4.77 115.22 131.36 3i22 n HIS 199 Ca 0.44 0.00 0.13 0.00 0.46 0.00 0.00 57.72 58.74 3i22 n HIS 199 Cb 0.47 0.00 0.61 0.00 -0.12 0.00 0.00 29.99 30.95 3i22 n HIS 199 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3i22 n MET 200 N -0.34 1.33 0.09 1.57 0.00 -1.25 -2.98 117.12 115.53 3i22 n MET 200 Ca 0.00 -0.49 0.12 0.00 0.00 0.00 0.00 57.70 57.33 3i22 n MET 200 Cb 0.00 -1.42 0.07 0.00 0.00 0.00 0.00 33.22 31.87 3i22 n MET 200 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 3i22 h LEU 201 N 1.09 0.00 -9.87 3.17 3.38 -1.86 -3.46 115.31 107.76 3i22 h LEU 201 Ca 0.00 -0.11 -0.57 0.00 0.09 0.00 0.00 57.88 57.30 3i22 h LEU 201 Cb 0.23 0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.13 3i22 h LEU 201 CO 0.00 0.05 0.30 -2.11 0.09 0.00 0.00 178.44 176.77 3i22 n ARG 202 N -2.43 1.26 0.00 1.13 1.85 -1.16 -4.89 116.66 112.43 3i22 n ARG 202 Ca 0.01 0.47 0.00 0.00 -1.00 0.00 0.00 57.85 57.34 3i22 n ARG 202 Cb 0.50 -2.29 0.00 0.00 -1.05 0.00 0.00 32.46 29.62 3i22 n ARG 202 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 177.63 179.17 3i22 n VAL 203 N -1.24 0.00 0.00 8.89 3.14 -1.15 -4.99 118.33 122.98 3i22 n VAL 203 Ca 0.12 -0.38 0.00 0.00 -2.96 0.00 0.00 64.34 61.11 3i22 n VAL 203 Cb 0.45 1.17 0.00 0.00 -1.06 0.00 0.00 33.84 34.40 3i22 n VAL 203 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3i22 n LEU 204 N -0.21 0.00 0.00 6.55 4.77 -1.26 -4.72 117.00 122.13 3i22 n LEU 204 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3i22 n LEU 204 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3i22 n LEU 204 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 3i22 n GLY 205 N 0.00 3.46 3.30 -0.72 0.00 -1.26 -4.28 105.19 105.69 3i22 n GLY 205 Ca 0.00 -0.82 -0.19 0.00 0.00 0.00 0.00 46.02 45.01 3i22 n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i22 s LYS 206 N 0.00 1.65 0.03 1.61 -2.85 -1.26 -4.73 119.74 114.19 3i22 s LYS 206 Ca 0.00 -1.95 -0.26 0.00 -1.00 0.00 0.00 55.97 52.76 3i22 s LYS 206 Cb 0.00 0.17 -0.14 0.00 -2.06 0.00 0.00 37.83 35.80 3i22 s LYS 206 CO 0.00 -0.56 1.29 0.00 0.10 0.00 0.00 175.35 176.18 3i22 h ALA 207 N 2.20 -1.16 -0.77 0.59 0.00 -1.98 -3.23 119.26 114.92 3i22 h ALA 207 Ca -0.29 -0.21 0.17 0.00 0.00 0.00 0.00 54.91 54.58 3i22 h ALA 207 Cb 1.24 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 19.35 3i22 h ALA 207 CO 0.43 -1.09 0.52 0.78 0.00 0.00 0.00 179.25 179.90 3i22 h GLY 208 N -1.02 0.58 -0.06 0.00 0.00 -1.98 0.12 103.07 100.71 3i22 h GLY 208 Ca -0.10 -0.14 0.26 0.00 0.00 0.00 0.00 47.33 47.35 3i22 h GLY 208 CO 0.16 0.03 0.67 0.00 0.00 0.00 0.00 176.54 177.40 3i22 h ALA 209 N 1.64 2.30 0.19 3.60 0.00 -1.94 0.98 119.26 126.03 3i22 h ALA 209 Ca 0.38 0.04 -0.28 0.00 0.00 0.00 0.00 54.91 55.05 3i22 h ALA 209 Cb 1.02 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.86 3i22 h ALA 209 CO -0.11 -0.67 -1.31 0.00 0.00 0.00 0.00 179.25 177.16 3i22 h ALA 210 N 1.60 -0.04 -0.02 0.00 0.00 -0.88 -3.20 119.26 116.71 3i22 h ALA 210 Ca 0.57 -0.89 0.03 0.00 0.00 0.00 0.00 54.91 54.62 3i22 h ALA 210 Cb 1.50 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 19.49 3i22 h ALA 210 CO -0.25 0.67 -0.21 0.00 0.00 0.00 0.00 179.25 179.46 3i22 h ARG 211 N -0.09 -0.31 -0.85 0.00 2.47 -0.72 0.14 114.38 115.03 3i22 h ARG 211 Ca -0.24 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.50 3i22 h ARG 211 Cb 1.94 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 30.33 3i22 h ARG 211 CO 0.19 -0.21 0.00 -2.67 0.56 0.00 0.00 179.97 177.85 3i22 n TRP 212 N -5.34 0.00 0.00 3.04 2.14 0.32 -3.70 117.44 113.90 3i22 n TRP 212 Ca -0.05 -0.09 0.00 0.00 2.07 0.00 0.00 57.50 59.43 3i22 n TRP 212 Cb 0.25 -0.10 0.00 0.00 -0.81 0.00 0.00 31.31 30.65 3i22 n TRP 212 CO 0.00 0.00 0.00 -2.13 2.07 0.00 0.00 177.69 177.63 3i22 n ARG 213 N 0.31 0.00 0.00 -2.67 0.63 0.47 -4.57 116.66 110.83 3i22 n ARG 213 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3i22 n ARG 213 Cb 0.21 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.12 3i22 n ARG 213 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i22 n GLY 214 N 4.94 -2.14 3.61 5.14 0.00 -1.03 -2.39 105.19 113.32 3i22 n GLY 214 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3i22 n GLY 214 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i22 s VAL 215 N -0.10 4.53 0.27 1.61 1.01 -1.07 -1.88 120.40 124.76 3i22 s VAL 215 Ca 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 3i22 s VAL 215 Cb 0.00 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 3i22 s VAL 215 CO 0.00 0.49 0.50 -0.13 0.00 0.00 0.00 175.10 175.95 3i22 s ARG 216 N 0.23 3.56 1.33 2.72 1.81 -0.57 -3.92 118.95 124.12 3i22 s ARG 216 Ca 0.02 -0.19 -0.21 0.00 -1.72 0.00 0.00 55.73 53.64 3i22 s ARG 216 Cb -0.13 -2.72 0.32 0.00 -0.45 0.00 0.00 34.95 31.98 3i22 s ARG 216 CO 0.01 0.26 0.73 -2.30 -0.68 0.00 0.00 175.30 173.33 3i22 n PRO 217 N -1.02 -4.14 -3.68 3.54 -0.02 -1.26 -4.59 135.00 123.83 3i22 n PRO 217 Ca -0.03 -1.23 -0.14 0.00 -2.02 0.00 0.00 63.50 60.08 3i22 n PRO 217 Cb 0.54 -1.78 -0.14 0.00 -0.02 0.00 0.00 33.50 32.11 3i22 n PRO 217 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3i22 s THR 218 N -2.09 -0.32 -0.26 3.45 2.01 -1.26 -4.66 115.64 112.51 3i22 s THR 218 Ca 0.57 0.27 -0.13 0.00 0.31 0.00 0.00 61.69 62.71 3i22 s THR 218 Cb -0.10 -0.40 -0.05 0.00 0.01 0.00 0.00 72.50 71.96 3i22 s THR 218 CO 0.48 0.11 0.26 -0.69 -0.69 0.00 0.00 174.62 174.09 3i22 s VAL 219 N 2.19 5.27 0.37 3.82 1.01 -1.26 -5.06 120.40 126.74 3i22 s VAL 219 Ca -0.00 0.34 -0.25 0.00 0.00 0.00 0.00 61.98 62.07 3i22 s VAL 219 Cb -0.12 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 32.58 3i22 s VAL 219 CO -0.08 0.25 1.05 -0.13 0.00 0.00 0.00 175.10 176.19 3i22 s ARG 220 N 1.64 4.28 0.26 2.72 3.00 -1.26 -4.92 118.95 124.67 3i22 s ARG 220 Ca 0.11 1.55 -0.03 0.00 0.00 0.00 0.00 55.73 57.36 3i22 s ARG 220 Cb -0.15 -2.68 0.39 0.00 0.00 0.00 0.00 34.95 32.50 3i22 s ARG 220 CO 0.09 -0.04 1.88 0.78 0.00 0.00 0.00 175.30 178.00 3i22 h GLY 221 N 2.79 1.48 2.00 -3.53 0.00 -1.97 1.06 103.07 104.91 3i22 h GLY 221 Ca -0.48 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 46.39 3i22 h GLY 221 CO 0.63 0.33 -0.01 0.00 0.00 0.00 0.00 176.54 177.49 3i22 h THR 222 N 1.14 0.09 0.00 4.70 1.03 -1.92 -1.79 112.91 116.16 3i22 h THR 222 Ca 0.42 -0.09 0.00 0.00 -0.01 0.00 0.00 66.41 66.73 3i22 h THR 222 Cb 0.16 1.08 0.00 0.00 -1.07 0.00 0.00 68.15 68.31 3i22 h THR 222 CO -0.17 0.01 0.00 0.00 -0.01 0.00 0.00 175.52 175.35 3i22 n ALA 223 N -2.12 2.20 -3.29 0.00 0.00 0.37 -3.41 120.51 114.25 3i22 n ALA 223 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3i22 n ALA 223 Cb 0.11 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.16 3i22 n ALA 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i22 n MET 224 N -1.34 2.95 -4.08 0.00 0.00 -0.84 -4.98 117.12 108.84 3i22 n MET 224 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 57.70 57.57 3i22 n MET 224 Cb 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.39 3i22 n MET 224 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 3i22 s ASN 225 N 0.34 5.65 0.14 3.17 -0.87 -1.26 -3.14 114.94 118.96 3i22 s ASN 225 Ca 0.00 -0.16 -0.32 0.00 -1.57 0.00 0.00 52.86 50.81 3i22 s ASN 225 Cb 0.00 -1.49 -0.09 0.00 -0.02 0.00 0.00 41.25 39.65 3i22 s ASN 225 CO 0.00 -0.01 1.55 -0.65 -2.57 0.00 0.00 177.10 175.43 3i22 h PRO 226 N 1.75 -0.36 -0.93 -0.60 0.11 -1.76 -1.23 132.00 128.99 3i22 h PRO 226 Ca -0.49 0.02 0.13 0.00 0.11 0.00 0.00 66.00 65.78 3i22 h PRO 226 Cb 1.22 0.08 -0.14 0.00 0.11 0.00 0.00 31.00 32.27 3i22 h PRO 226 CO 0.62 -0.24 -0.40 1.33 -0.21 0.00 0.00 178.00 179.10 3i22 n VAL 227 N -5.38 -0.52 0.00 3.15 0.24 -1.26 -2.79 118.33 111.77 3i22 n VAL 227 Ca -0.03 2.19 0.00 0.00 -2.04 0.00 0.00 64.34 64.46 3i22 n VAL 227 Cb 0.34 -2.85 0.00 0.00 -1.47 0.00 0.00 33.84 29.86 3i22 n VAL 227 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3i22 n ASP 228 N -5.32 0.00 -4.41 -1.34 8.00 -0.57 -4.89 116.55 108.02 3i22 n ASP 228 Ca 0.08 0.84 -0.32 0.00 0.71 0.00 0.00 54.79 56.10 3i22 n ASP 228 Cb 0.34 -0.41 -0.14 0.00 -0.02 0.00 0.00 41.12 40.89 3i22 n ASP 228 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3i22 s HIS 229 N -2.38 2.54 0.62 1.24 2.46 -0.57 -5.00 115.29 114.20 3i22 s HIS 229 Ca 0.00 -0.28 0.28 0.00 0.47 0.00 0.00 55.06 55.54 3i22 s HIS 229 Cb 0.00 -1.57 1.50 0.00 -0.13 0.00 0.00 32.58 32.38 3i22 s HIS 229 CO 0.00 0.10 1.88 -1.35 -2.47 0.00 0.00 174.74 172.90 3i22 h PRO 230 N 5.36 0.00 0.02 2.88 0.11 -1.82 -1.17 132.00 137.38 3i22 h PRO 230 Ca -0.45 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 3i22 h PRO 230 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3i22 h PRO 230 CO 0.49 0.00 -0.01 0.45 -0.21 0.00 0.00 178.00 178.72 3i22 h HIS 231 N 0.00 -0.02 -1.05 0.65 3.86 -1.89 -3.48 115.15 113.21 3i22 h HIS 231 Ca 0.12 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 3i22 h HIS 231 Cb 0.99 0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.47 3i22 h HIS 231 CO 0.00 0.64 0.00 0.41 0.86 0.00 0.00 177.93 179.84 3i22 n GLY 232 N 1.53 0.00 3.61 2.45 0.00 -0.44 -4.72 105.19 107.62 3i22 n GLY 232 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 3i22 n GLY 232 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i22 s GLY 233 N 0.00 1.58 0.00 -0.02 0.00 -1.19 -3.76 107.32 103.94 3i22 s GLY 233 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.65 3i22 s GLY 233 CO 0.00 0.53 0.00 0.61 0.00 0.00 0.00 173.10 174.24 3i22 n GLY 234 N -0.18 1.02 3.56 0.20 0.00 -1.26 -4.79 105.19 103.73 3i22 n GLY 234 Ca 0.06 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 3i22 n GLY 234 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i22 s GLU 235 N 1.50 3.52 0.00 1.61 8.01 -1.26 -4.54 118.70 127.55 3i22 s GLU 235 Ca 0.00 0.04 0.00 0.00 0.01 0.00 0.00 54.97 55.02 3i22 s GLU 235 Cb 0.00 -3.90 0.00 0.00 -4.31 0.00 0.00 34.13 25.92 3i22 s GLU 235 CO 0.00 -1.03 0.00 0.41 0.01 0.00 0.00 175.26 174.65 3i22 n GLY 236 N 4.84 -0.28 5.22 -1.39 0.00 -1.26 -4.71 105.19 107.61 3i22 n GLY 236 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3i22 n GLY 236 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i22 n ARG 237 N -0.33 0.00 0.00 1.61 1.74 -1.26 -4.86 116.66 113.56 3i22 n ARG 237 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i22 n ARG 237 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3i22 n ARG 237 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3i22 n ASN 238 N 2.40 -5.10 0.00 0.55 4.13 -1.26 -4.48 115.26 111.51 3i22 n ASN 238 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 3i22 n ASN 238 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 3i22 n ASN 238 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 3i22 n PHE 239 N -1.70 0.00 0.00 3.10 -0.00 -1.26 -4.90 117.46 112.70 3i22 n PHE 239 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3i22 n PHE 239 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 3i22 n PHE 239 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3i22 n GLY 240 N 0.00 1.44 3.49 7.13 0.00 -1.26 -4.78 105.19 111.22 3i22 n GLY 240 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3i22 n GLY 240 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i22 s LYS 241 N -0.20 2.19 -0.03 1.61 1.02 -1.26 -5.08 119.74 117.98 3i22 s LYS 241 Ca 0.00 -0.92 -0.30 0.00 0.02 0.00 0.00 55.97 54.77 3i22 s LYS 241 Cb 0.00 -2.27 -0.07 0.00 -0.52 0.00 0.00 37.83 34.97 3i22 s LYS 241 CO 0.00 0.55 1.80 -1.01 -0.92 0.00 0.00 175.35 175.77 3i22 s HIS 242 N -0.95 1.67 0.23 3.18 3.76 -1.26 -4.91 115.29 117.01 3i22 s HIS 242 Ca 0.15 -0.04 -0.32 0.00 -0.15 0.00 0.00 55.06 54.71 3i22 s HIS 242 Cb -0.11 -4.05 -0.13 0.00 1.11 0.00 0.00 32.58 29.40 3i22 s HIS 242 CO 0.06 -4.51 1.53 -2.30 -0.85 0.00 0.00 174.74 168.68 3i22 n PRO 243 N 7.39 2.33 -2.66 8.40 -0.02 -1.26 -5.00 135.00 144.18 3i22 n PRO 243 Ca 0.19 0.83 -0.07 0.00 -2.02 0.00 0.00 63.50 62.44 3i22 n PRO 243 Cb 0.42 -2.57 -0.01 0.00 -0.02 0.00 0.00 33.50 31.32 3i22 n PRO 243 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3i22 n VAL 244 N 2.55 0.00 -2.44 -1.45 0.24 -1.26 -3.73 118.33 112.24 3i22 n VAL 244 Ca 0.12 -0.78 -0.27 0.00 -2.04 0.00 0.00 64.34 61.37 3i22 n VAL 244 Cb 0.33 0.53 0.02 0.00 -1.47 0.00 0.00 33.84 33.24 3i22 n VAL 244 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3i22 s THR 245 N -2.61 4.27 -1.54 3.34 -4.23 0.37 -4.76 115.64 110.48 3i22 s THR 245 Ca 0.13 0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.80 3i22 s THR 245 Cb -0.01 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 70.17 3i22 s THR 245 CO 0.09 -0.69 0.11 -2.65 -0.54 0.00 0.00 174.62 170.94 3i22 n PRO 246 N -2.47 0.00 -0.18 3.99 -0.02 -1.26 0.49 135.00 135.55 3i22 n PRO 246 Ca 0.03 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.56 3i22 n PRO 246 Cb 0.56 -1.14 0.07 0.00 -0.02 0.00 0.00 33.50 32.97 3i22 n PRO 246 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3i22 n TRP 247 N -0.53 0.00 -2.45 6.00 8.01 -1.26 -4.63 117.44 122.58 3i22 n TRP 247 Ca 0.00 -0.58 -0.07 0.00 -1.31 0.00 0.00 57.50 55.54 3i22 n TRP 247 Cb 0.00 -0.10 0.04 0.00 -2.01 0.00 0.00 31.31 29.24 3i22 n TRP 247 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3i22 n GLY 248 N -0.81 -0.01 2.82 6.99 0.00 0.18 -5.06 105.19 109.30 3i22 n GLY 248 Ca 0.08 -0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 3i22 n GLY 248 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i22 s VAL 249 N -3.18 0.38 -0.54 1.61 1.01 -1.25 -4.83 120.40 113.61 3i22 s VAL 249 Ca 0.13 0.04 -0.36 0.00 0.00 0.00 0.00 61.98 61.79 3i22 s VAL 249 Cb -0.02 -0.48 -0.15 0.00 0.00 0.00 0.00 36.38 35.73 3i22 s VAL 249 CO 0.34 0.22 2.31 0.00 0.00 0.00 0.00 175.10 177.97 3i22 n GLN 250 N 4.56 0.56 0.00 2.72 1.13 -1.26 -0.48 117.38 124.61 3i22 n GLN 250 Ca -0.17 0.12 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 3i22 n GLN 250 Cb 0.50 -2.11 0.00 0.00 0.11 0.00 0.00 30.24 28.74 3i22 n GLN 250 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3i22 n THR 251 N 7.16 0.00 -2.29 5.09 -1.04 -1.24 -3.85 114.28 118.11 3i22 n THR 251 Ca 0.50 0.91 -0.41 0.00 -2.04 0.00 0.00 64.05 63.01 3i22 n THR 251 Cb 0.15 -1.90 -0.03 0.00 -1.82 0.00 0.00 70.33 66.73 3i22 n THR 251 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3i22 s LYS 252 N -1.82 3.08 0.00 -2.82 1.02 -1.26 -3.96 119.74 113.99 3i22 s LYS 252 Ca 0.00 0.44 0.00 0.00 0.02 0.00 0.00 55.97 56.43 3i22 s LYS 252 Cb 0.00 -4.22 0.00 0.00 -0.52 0.00 0.00 37.83 33.09 3i22 s LYS 252 CO 0.00 -2.20 0.00 0.41 -0.92 0.00 0.00 175.35 172.64 3i22 n GLY 253 N 5.42 2.57 3.67 -3.33 0.00 -1.26 -5.11 105.19 107.16 3i22 n GLY 253 Ca 0.14 -0.50 -0.45 0.00 0.00 0.00 0.00 46.02 45.21 3i22 n GLY 253 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i22 n LYS 254 N 0.00 2.09 0.10 1.61 4.76 -1.25 -4.94 118.16 120.53 3i22 n LYS 254 Ca 0.00 0.75 -0.05 0.00 -2.87 0.00 0.00 58.31 56.14 3i22 n LYS 254 Cb 0.00 -2.44 -0.02 0.00 -1.84 0.00 0.00 35.03 30.73 3i22 n LYS 254 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 3i22 h LYS 255 N 4.63 -0.30 0.00 1.97 6.56 -1.92 -3.48 116.57 124.03 3i22 h LYS 255 Ca -0.45 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.16 3i22 h LYS 255 Cb 1.27 0.07 0.00 0.00 -0.57 0.00 0.00 32.23 33.00 3i22 h LYS 255 CO 0.79 -0.20 0.00 0.25 -2.06 0.00 0.00 179.45 178.23 3i22 n THR 256 N -4.04 0.00 -2.75 -0.16 -2.24 -1.26 -5.01 114.28 98.82 3i22 n THR 256 Ca -0.04 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.32 3i22 n THR 256 Cb 0.12 -0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.24 3i22 n THR 256 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3i22 s ARG 257 N -0.17 4.40 -0.43 -0.78 3.52 -1.26 -4.96 118.95 119.28 3i22 s ARG 257 Ca 0.00 1.28 0.07 0.00 -0.13 0.00 0.00 55.73 56.96 3i22 s ARG 257 Cb 0.00 -3.54 0.25 0.00 -1.56 0.00 0.00 34.95 30.10 3i22 s ARG 257 CO 0.00 -0.29 0.66 0.43 -0.81 0.00 0.00 175.30 175.29 3i22 n SER 258 N 4.94 -0.94 -0.04 -2.12 7.64 -1.26 -4.96 113.62 116.88 3i22 n SER 258 Ca 0.07 -2.92 -0.05 0.00 1.01 0.00 0.00 58.87 56.99 3i22 n SER 258 Cb 0.49 0.26 -0.02 0.00 -1.01 0.00 0.00 64.21 63.93 3i22 n SER 258 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3i22 n ASN 259 N 1.49 1.03 0.00 6.43 2.85 -1.26 -4.93 115.26 120.86 3i22 n ASN 259 Ca 0.17 0.17 0.00 0.00 -0.11 0.00 0.00 54.58 54.81 3i22 n ASN 259 Cb 0.57 -0.60 0.00 0.00 1.24 0.00 0.00 39.78 40.99 3i22 n ASN 259 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 3i22 n LYS 260 N -3.53 0.00 0.02 1.20 4.81 -1.26 -4.56 118.16 114.84 3i22 n LYS 260 Ca -0.07 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.21 3i22 n LYS 260 Cb 0.26 -1.88 -0.05 0.00 0.02 0.00 0.00 35.03 33.39 3i22 n LYS 260 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 3i22 h ARG 261 N 0.27 0.64 -0.02 1.64 2.43 -2.04 -3.27 114.38 114.03 3i22 h ARG 261 Ca 0.00 -0.57 0.00 0.00 -0.81 0.00 0.00 59.98 58.60 3i22 h ARG 261 Cb 0.00 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3i22 h ARG 261 CO 0.00 1.18 -0.22 0.25 -1.51 0.00 0.00 179.97 179.67 3i22 n THR 262 N -3.87 0.00 -0.30 0.20 -2.24 -1.26 -4.33 114.28 102.47 3i22 n THR 262 Ca -0.07 -0.30 0.13 0.00 -2.27 0.00 0.00 64.05 61.54 3i22 n THR 262 Cb 0.77 1.04 0.37 0.00 -2.10 0.00 0.00 70.33 70.42 3i22 n THR 262 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3i22 h ASP 263 N 2.86 0.67 -0.95 3.42 3.45 -1.91 0.41 116.42 124.38 3i22 h ASP 263 Ca 0.00 0.06 0.26 0.00 0.43 0.00 0.00 57.03 57.78 3i22 h ASP 263 Cb 0.74 -0.07 -0.17 0.00 -0.56 0.00 0.00 39.33 39.27 3i22 h ASP 263 CO 0.00 0.30 0.07 0.50 -1.57 0.00 0.00 179.24 178.54 3i22 h LYS 264 N 0.69 0.04 -0.00 3.56 1.63 -1.80 -0.91 116.57 119.77 3i22 h LYS 264 Ca 0.50 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.29 3i22 h LYS 264 Cb 0.84 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.46 3i22 h LYS 264 CO -0.25 0.03 -0.00 1.19 -3.45 0.00 0.00 179.45 176.96 3i22 n PHE 265 N -5.43 0.00 -3.39 1.91 0.99 0.14 -4.79 117.46 106.89 3i22 n PHE 265 Ca 0.22 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 57.26 3i22 n PHE 265 Cb 0.73 -0.00 -0.09 0.00 -1.00 0.00 0.00 39.48 39.12 3i22 n PHE 265 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 3i22 s ILE 266 N -2.01 5.16 -0.23 4.37 1.01 -0.35 -0.92 121.20 128.23 3i22 s ILE 266 Ca 0.45 0.01 -0.19 0.00 0.00 0.00 0.00 60.65 60.91 3i22 s ILE 266 Cb 0.22 -3.85 -0.17 0.00 0.01 0.00 0.00 42.46 38.67 3i22 s ILE 266 CO 0.36 -0.13 0.06 0.52 0.00 0.00 0.00 174.94 175.75 3i22 n VAL 267 N 5.26 1.54 -3.82 2.92 0.31 -0.70 -4.95 118.33 118.88 3i22 n VAL 267 Ca -0.09 -0.13 -0.16 0.00 -0.01 0.00 0.00 64.34 63.95 3i22 n VAL 267 Cb 0.49 -1.99 -0.16 0.00 -0.91 0.00 0.00 33.84 31.26 3i22 n VAL 267 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3i22 s ARG 268 N -2.40 0.11 0.00 5.55 3.52 -1.02 -4.99 118.95 119.71 3i22 s ARG 268 Ca -0.32 0.16 0.00 0.00 -0.13 0.00 0.00 55.73 55.44 3i22 s ARG 268 Cb 0.08 -0.38 0.00 0.00 -1.56 0.00 0.00 34.95 33.09 3i22 s ARG 268 CO 0.56 -0.17 0.00 0.54 -0.81 0.00 0.00 175.30 175.42 3i22 n ARG 269 N 4.30 0.00 -3.64 5.12 5.12 -1.26 -1.70 116.66 124.60 3i22 n ARG 269 Ca -0.25 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.61 3i22 n ARG 269 Cb 0.50 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.74 3i22 n ARG 269 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3i22 s ARG 270 N 0.00 0.33 0.00 5.56 3.52 -1.26 -3.16 118.95 123.94 3i22 s ARG 270 Ca 0.00 0.33 0.04 0.00 -0.13 0.00 0.00 55.73 55.97 3i22 s ARG 270 Cb 0.00 0.16 0.03 0.00 -1.56 0.00 0.00 34.95 33.58 3i22 s ARG 270 CO 0.00 -0.05 0.62 0.43 -0.81 0.00 0.00 175.30 175.48