#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r69 s VAL 2 N 0.00 2.85 -0.32 3.84 0.11 -1.26 -4.00 120.40 121.62 2r69 s VAL 2 Ca 0.00 -1.16 0.00 0.00 -2.93 0.00 0.00 61.98 57.89 2r69 s VAL 2 Cb 0.00 -2.51 0.10 0.00 -1.53 0.00 0.00 36.38 32.44 2r69 s VAL 2 CO 0.00 0.11 0.09 -1.10 -3.33 0.00 0.00 175.10 170.87 2r69 s GLN 3 N 1.29 0.88 -0.20 1.54 1.11 -1.26 -4.81 119.66 118.21 2r69 s GLN 3 Ca -0.02 -1.27 -0.29 0.00 0.01 0.00 0.00 55.36 53.79 2r69 s GLN 3 Cb -0.18 -2.24 -0.03 0.00 -1.01 0.00 0.00 33.01 29.56 2r69 s GLN 3 CO -0.04 -0.99 1.56 -0.51 0.01 0.00 0.00 175.29 175.33 2r69 s LEU 4 N 1.43 3.97 -0.31 2.90 1.43 -1.26 -1.62 118.68 125.22 2r69 s LEU 4 Ca 0.10 1.66 0.02 0.00 -1.03 0.00 0.00 54.13 54.88 2r69 s LEU 4 Cb -0.18 -3.53 0.09 0.00 0.03 0.00 0.00 46.19 42.60 2r69 s LEU 4 CO -0.21 -1.16 0.03 -1.10 0.23 0.00 0.00 176.35 174.14 2r69 s GLN 5 N 4.45 1.40 0.71 1.70 -0.21 0.20 -4.35 119.66 123.57 2r69 s GLN 5 Ca 0.69 -1.53 -0.13 0.00 0.02 0.00 0.00 55.36 54.41 2r69 s GLN 5 Cb -0.25 -2.82 0.03 0.00 1.00 0.00 0.00 33.01 30.96 2r69 s GLN 5 CO 0.27 -0.87 1.10 -0.65 -2.12 0.00 0.00 175.29 173.02 2r69 s GLN 6 N 1.15 2.57 -0.08 2.91 -0.21 -1.25 -2.08 119.66 122.67 2r69 s GLN 6 Ca 0.06 1.25 -0.30 0.00 0.02 0.00 0.00 55.36 56.40 2r69 s GLN 6 Cb -0.19 -1.93 -0.02 0.00 1.00 0.00 0.00 33.01 31.87 2r69 s GLN 6 CO -0.11 -1.41 1.05 -1.12 -2.12 0.00 0.00 175.29 171.57 2r69 s SER 7 N -3.06 7.22 0.00 5.90 0.01 -0.80 -4.95 113.70 118.02 2r69 s SER 7 Ca 0.63 1.62 0.00 0.00 1.31 0.00 0.00 55.95 59.51 2r69 s SER 7 Cb -0.18 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.49 2r69 s SER 7 CO 0.49 -0.45 0.00 0.61 0.41 0.00 0.00 173.24 174.30 2r69 n GLY 8 N 3.13 0.00 3.41 3.44 0.00 -1.26 -4.80 105.19 109.11 2r69 n GLY 8 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 2r69 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r69 s ALA 9 N 0.00 0.69 -0.09 4.61 0.00 -1.26 -4.00 121.76 121.72 2r69 s ALA 9 Ca 0.00 -1.43 -0.30 0.00 0.00 0.00 0.00 51.96 50.22 2r69 s ALA 9 Cb 0.00 1.23 0.12 0.00 0.00 0.00 0.00 23.12 24.47 2r69 s ALA 9 CO 0.00 -0.74 0.98 -1.21 0.00 0.00 0.00 175.76 174.80 2r69 s GLU 10 N -3.74 0.65 0.07 0.00 2.02 -1.21 -5.03 118.70 111.46 2r69 s GLU 10 Ca 0.32 -0.14 0.02 0.00 0.02 0.00 0.00 54.97 55.19 2r69 s GLU 10 Cb 0.02 0.30 -0.03 0.00 0.10 0.00 0.00 34.13 34.52 2r69 s GLU 10 CO 0.15 -0.27 -0.07 -1.17 0.02 0.00 0.00 175.26 173.92 2r69 s LEU 11 N -2.03 2.37 -0.01 1.80 2.96 -1.26 -3.06 118.68 119.46 2r69 s LEU 11 Ca 0.04 -0.76 -0.18 0.00 -0.22 0.00 0.00 54.13 53.00 2r69 s LEU 11 Cb -0.01 -0.13 0.03 0.00 0.50 0.00 0.00 46.19 46.59 2r69 s LEU 11 CO -0.05 -0.32 0.39 0.68 -1.32 0.00 0.00 176.35 175.73 2r69 s VAL 12 N -2.42 0.05 0.26 1.68 -7.23 -0.84 -4.99 120.40 106.91 2r69 s VAL 12 Ca 0.00 -0.40 -0.30 0.00 -1.81 0.00 0.00 61.98 59.48 2r69 s VAL 12 Cb -0.03 -0.76 -0.09 0.00 0.56 0.00 0.00 36.38 36.06 2r69 s VAL 12 CO -0.02 -0.22 1.28 -0.75 -0.31 0.00 0.00 175.10 175.08 2r69 s LYS 13 N -1.55 4.42 0.17 4.82 2.20 -1.26 -1.58 119.74 126.95 2r69 s LYS 13 Ca -0.11 2.08 -0.33 0.00 -0.36 0.00 0.00 55.97 57.24 2r69 s LYS 13 Cb -0.03 -3.15 -0.15 0.00 -1.51 0.00 0.00 37.83 32.99 2r69 s LYS 13 CO 0.04 -0.16 1.27 -2.30 -0.36 0.00 0.00 175.35 173.84 2r69 n PRO 14 N 1.75 1.39 -1.65 4.03 -0.02 -1.26 -3.16 135.00 136.08 2r69 n PRO 14 Ca 0.03 0.50 -0.01 0.00 -2.02 0.00 0.00 63.50 62.00 2r69 n PRO 14 Cb 0.43 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 2r69 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r69 n GLY 15 N 2.24 0.14 0.00 -1.23 0.00 -1.22 -4.97 105.19 100.15 2r69 n GLY 15 Ca 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2r69 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r69 n ALA 16 N -1.34 0.00 -2.21 4.61 0.00 -1.19 -4.87 120.51 115.51 2r69 n ALA 16 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2r69 n ALA 16 Cb 0.50 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.85 2r69 n ALA 16 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2r69 s SER 17 N 1.88 0.93 0.19 0.00 0.15 -1.26 -3.56 113.70 112.03 2r69 s SER 17 Ca 0.00 -1.17 -0.08 0.00 0.70 0.00 0.00 55.95 55.40 2r69 s SER 17 Cb 0.00 0.17 -0.01 0.00 -1.71 0.00 0.00 66.02 64.47 2r69 s SER 17 CO 0.00 -0.61 0.30 0.68 1.20 0.00 0.00 173.24 174.81 2r69 s VAL 18 N -3.78 0.04 -0.45 4.45 -7.23 -1.26 -4.92 120.40 107.25 2r69 s VAL 18 Ca 0.23 -1.52 0.06 0.00 -1.81 0.00 0.00 61.98 58.94 2r69 s VAL 18 Cb 0.07 -2.05 0.22 0.00 0.56 0.00 0.00 36.38 35.17 2r69 s VAL 18 CO 0.02 -0.18 0.62 1.17 -0.31 0.00 0.00 175.10 176.43 2r69 n LYS 19 N -0.26 0.57 -0.67 4.82 4.81 -1.26 -4.04 118.16 122.12 2r69 n LYS 19 Ca -0.04 -2.55 -0.32 0.00 -0.87 0.00 0.00 58.31 54.52 2r69 n LYS 19 Cb 0.63 -1.44 0.17 0.00 0.02 0.00 0.00 35.03 34.41 2r69 n LYS 19 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2r69 n LEU 20 N 2.14 -2.21 -3.71 3.14 -0.00 -0.82 -4.74 117.00 110.80 2r69 n LEU 20 Ca 0.19 -0.11 -0.11 0.00 -0.00 0.00 0.00 56.01 55.98 2r69 n LEU 20 Cb 0.55 -0.97 -0.12 0.00 -0.00 0.00 0.00 43.42 42.88 2r69 n LEU 20 CO 0.08 -3.11 -0.01 -0.94 -0.00 0.00 0.00 177.39 173.41 2r69 s SER 21 N -1.86 -0.43 -0.42 1.96 1.04 -1.26 -3.19 113.70 109.54 2r69 s SER 21 Ca 0.56 0.76 0.02 0.00 0.48 0.00 0.00 55.95 57.78 2r69 s SER 21 Cb -0.12 0.65 0.11 0.00 0.10 0.00 0.00 66.02 66.76 2r69 s SER 21 CO 0.66 -0.18 0.16 0.00 0.98 0.00 0.00 173.24 174.86 2r69 s THR 23 N 0.60 4.53 0.28 0.00 2.01 -0.88 -1.57 115.64 120.62 2r69 s THR 23 Ca 0.12 -0.23 -0.29 0.00 0.31 0.00 0.00 61.69 61.60 2r69 s THR 23 Cb -0.21 -4.52 -0.10 0.00 0.01 0.00 0.00 72.50 67.68 2r69 s THR 23 CO -0.05 -1.14 1.16 0.00 -0.69 0.00 0.00 174.62 173.90 2r69 s ALA 24 N 3.53 3.43 -0.17 7.40 0.00 -1.26 0.59 121.76 135.29 2r69 s ALA 24 Ca 0.22 0.99 0.10 0.00 0.00 0.00 0.00 51.96 53.27 2r69 s ALA 24 Cb -0.17 -3.37 -0.17 0.00 0.00 0.00 0.00 23.12 19.41 2r69 s ALA 24 CO 0.13 -0.30 -0.01 0.43 0.00 0.00 0.00 175.76 176.01 2r69 n SER 25 N 1.28 1.55 -0.11 0.00 7.64 -0.64 -4.80 113.62 118.54 2r69 n SER 25 Ca -0.00 -0.03 0.04 0.00 1.01 0.00 0.00 58.87 59.89 2r69 n SER 25 Cb 0.44 0.53 -0.02 0.00 -1.01 0.00 0.00 64.21 64.15 2r69 n SER 25 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2r69 n GLY 26 N 2.19 0.01 3.31 0.23 0.00 -1.26 -4.78 105.19 104.89 2r69 n GLY 26 Ca -0.28 -0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 2r69 n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2r69 s PHE 27 N -1.45 1.92 -0.58 1.61 -0.12 -1.26 -4.95 117.98 113.15 2r69 s PHE 27 Ca 0.05 -0.40 -0.28 0.00 -0.05 0.00 0.00 56.93 56.25 2r69 s PHE 27 Cb 0.06 -1.06 0.01 0.00 -0.63 0.00 0.00 43.02 41.40 2r69 s PHE 27 CO 0.26 0.22 1.47 1.21 -0.05 0.00 0.00 175.22 178.32 2r69 s ASN 28 N -1.84 6.03 0.13 1.98 2.47 -1.26 -4.83 114.94 117.62 2r69 s ASN 28 Ca 0.08 0.26 0.06 0.00 0.42 0.00 0.00 52.86 53.68 2r69 s ASN 28 Cb -0.10 -2.54 0.44 0.00 -1.45 0.00 0.00 41.25 37.59 2r69 s ASN 28 CO 0.04 -1.80 0.56 0.00 -3.72 0.00 0.00 177.10 172.19 2r69 n ILE 29 N 6.87 -0.15 -0.23 -5.21 3.06 -1.26 0.13 119.36 122.57 2r69 n ILE 29 Ca 0.13 0.74 0.04 0.00 -2.50 0.00 0.00 62.75 61.15 2r69 n ILE 29 Cb 0.49 -1.17 0.15 0.00 0.54 0.00 0.00 39.64 39.65 2r69 n ILE 29 CO 0.00 0.00 0.00 0.11 -2.50 0.00 0.00 176.55 174.16 2r69 h LYS 30 N 0.00 0.18 -0.68 9.51 1.57 -1.89 -3.07 116.57 122.19 2r69 h LYS 30 Ca 0.28 -0.01 0.28 0.00 -1.87 0.00 0.00 60.65 59.34 2r69 h LYS 30 Cb 0.73 -0.04 -0.12 0.00 0.08 0.00 0.00 32.23 32.88 2r69 h LYS 30 CO -0.29 0.12 0.37 -0.25 -0.57 0.00 0.00 179.45 178.83 2r69 n ASP 31 N -5.23 0.23 0.00 0.86 10.43 0.35 -4.36 116.55 118.83 2r69 n ASP 31 Ca 0.12 1.11 0.00 0.00 2.57 0.00 0.00 54.79 58.59 2r69 n ASP 31 Cb 0.42 -0.54 0.00 0.00 1.84 0.00 0.00 41.12 42.84 2r69 n ASP 31 CO 0.00 0.00 0.00 1.07 -1.07 0.00 0.00 177.20 177.20 2r69 n THR 32 N -4.50 0.00 -4.01 -3.53 5.66 -1.16 -5.11 114.28 101.63 2r69 n THR 32 Ca 0.26 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 61.01 2r69 n THR 32 Cb 0.87 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.61 2r69 n THR 32 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 2r69 s TYR 33 N 1.00 3.33 -0.02 1.09 4.12 -1.14 -4.21 117.35 121.52 2r69 s TYR 33 Ca 0.00 0.02 -0.01 0.00 0.02 0.00 0.00 57.07 57.11 2r69 s TYR 33 Cb 0.00 -1.57 0.02 0.00 -1.52 0.00 0.00 41.96 38.89 2r69 s TYR 33 CO 0.00 0.50 0.04 1.41 0.02 0.00 0.00 175.55 177.53 2r69 s MET 34 N -3.42 -0.01 0.53 -0.62 1.75 -0.94 -3.95 119.30 112.64 2r69 s MET 34 Ca 0.33 0.17 0.06 0.00 -1.25 0.00 0.00 55.69 55.01 2r69 s MET 34 Cb -0.10 -0.18 0.03 0.00 2.84 0.00 0.00 34.83 37.43 2r69 s MET 34 CO 0.27 -0.13 0.43 -1.01 -0.65 0.00 0.00 175.02 173.92 2r69 s HIS 35 N 0.83 1.74 -0.24 4.11 3.76 -0.19 -1.62 115.29 123.69 2r69 s HIS 35 Ca -0.07 -0.79 -0.03 0.00 -0.15 0.00 0.00 55.06 54.02 2r69 s HIS 35 Cb -0.10 -1.97 0.12 0.00 1.11 0.00 0.00 32.58 31.75 2r69 s HIS 35 CO -0.03 -0.48 0.33 -1.58 -0.85 0.00 0.00 174.74 172.14 2r69 s TRP 36 N -2.73 -0.67 0.40 1.40 0.23 -0.98 -2.91 118.94 113.68 2r69 s TRP 36 Ca 0.38 0.62 0.08 0.00 -2.03 0.00 0.00 56.10 55.15 2r69 s TRP 36 Cb -0.02 -0.10 -0.02 0.00 0.03 0.00 0.00 33.47 33.35 2r69 s TRP 36 CO 0.23 -0.70 0.36 0.08 0.96 0.00 0.00 176.95 177.88 2r69 s VAL 37 N 2.48 2.87 0.08 4.03 1.01 0.12 -0.96 120.40 130.04 2r69 s VAL 37 Ca 0.11 -1.34 0.06 0.00 0.00 0.00 0.00 61.98 60.80 2r69 s VAL 37 Cb -0.15 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 2r69 s VAL 37 CO -0.16 -0.04 -0.15 -0.75 0.00 0.00 0.00 175.10 174.00 2r69 s LYS 38 N -4.10 0.88 -0.28 2.72 2.20 -0.15 -2.15 119.74 118.85 2r69 s LYS 38 Ca 0.47 -1.01 -0.16 0.00 -0.36 0.00 0.00 55.97 54.91 2r69 s LYS 38 Cb -0.04 -0.91 0.09 0.00 -1.51 0.00 0.00 37.83 35.46 2r69 s LYS 38 CO 0.28 0.20 0.75 -1.14 -0.36 0.00 0.00 175.35 175.08 2r69 s GLN 39 N -1.85 0.64 0.44 4.03 0.74 -0.53 -2.78 119.66 120.35 2r69 s GLN 39 Ca 0.00 1.10 0.00 0.00 0.05 0.00 0.00 55.36 56.51 2r69 s GLN 39 Cb -0.10 0.13 0.00 0.00 1.10 0.00 0.00 33.01 34.14 2r69 s GLN 39 CO 0.03 -0.13 0.00 0.54 -0.55 0.00 0.00 175.29 175.17 2r69 n ARG 40 N 4.18 0.93 0.00 1.67 1.74 -1.25 -1.35 116.66 122.57 2r69 n ARG 40 Ca -0.20 -3.22 0.00 0.00 -0.77 0.00 0.00 57.85 53.66 2r69 n ARG 40 Cb 0.59 0.86 0.00 0.00 -1.02 0.00 0.00 32.46 32.88 2r69 n ARG 40 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2r69 n PRO 41 N -1.11 0.00 0.00 5.56 -0.02 -1.26 -3.38 135.00 134.80 2r69 n PRO 41 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 2r69 n PRO 41 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.04 2r69 n PRO 41 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2r69 n GLU 42 N -1.55 3.60 -1.50 -0.52 2.13 -1.26 -5.05 120.64 116.49 2r69 n GLU 42 Ca 0.00 0.00 -0.50 0.00 0.66 0.00 0.00 57.16 57.32 2r69 n GLU 42 Cb 0.00 -0.95 -0.04 0.00 0.27 0.00 0.00 31.44 30.71 2r69 n GLU 42 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2r69 n GLN 43 N -1.87 0.50 0.00 5.31 3.00 -1.22 -4.95 117.38 118.16 2r69 n GLN 43 Ca 0.00 0.18 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 2r69 n GLN 43 Cb 0.45 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 29.21 2r69 n GLN 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2r69 n GLY 44 N 1.81 -2.27 3.35 1.08 0.00 -1.26 -3.97 105.19 103.93 2r69 n GLY 44 Ca 0.17 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 2r69 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2r69 s LEU 45 N 0.00 2.33 -0.03 0.99 1.02 -1.26 -4.44 118.68 117.29 2r69 s LEU 45 Ca 0.00 -0.74 0.00 0.00 0.02 0.00 0.00 54.13 53.41 2r69 s LEU 45 Cb 0.00 -1.07 0.03 0.00 0.02 0.00 0.00 46.19 45.17 2r69 s LEU 45 CO 0.00 0.12 0.01 -1.61 0.02 0.00 0.00 176.35 174.89 2r69 s GLU 46 N -2.08 0.22 -0.20 1.70 2.02 -1.12 -5.00 118.70 114.25 2r69 s GLU 46 Ca 0.12 0.10 -0.27 0.00 0.02 0.00 0.00 54.97 54.94 2r69 s GLU 46 Cb -0.10 -0.43 -0.00 0.00 0.10 0.00 0.00 34.13 33.70 2r69 s GLU 46 CO 0.06 -0.15 0.91 -0.46 0.02 0.00 0.00 175.26 175.64 2r69 s TRP 47 N 1.05 3.38 -0.78 1.61 -0.00 -1.26 -0.98 118.94 121.96 2r69 s TRP 47 Ca -0.09 1.32 0.24 0.00 -0.00 0.00 0.00 56.10 57.57 2r69 s TRP 47 Cb -0.13 -3.12 0.24 0.00 -0.00 0.00 0.00 33.47 30.46 2r69 s TRP 47 CO -0.02 -0.35 1.21 -0.89 -0.00 0.00 0.00 176.95 176.90 2r69 n ILE 48 N 5.02 0.14 0.00 5.86 5.41 -0.13 -4.32 119.36 131.34 2r69 n ILE 48 Ca 0.07 -0.15 0.00 0.00 1.00 0.00 0.00 62.75 63.67 2r69 n ILE 48 Cb 0.48 0.21 0.00 0.00 -0.71 0.00 0.00 39.64 39.61 2r69 n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2r69 n GLY 49 N 1.42 1.33 3.17 7.39 0.00 -1.20 -3.68 105.19 113.62 2r69 n GLY 49 Ca 0.04 -1.97 -0.11 0.00 0.00 0.00 0.00 46.02 43.98 2r69 n GLY 49 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2r69 s ARG 50 N -1.15 0.93 -0.07 1.61 1.70 -0.72 -2.31 118.95 118.94 2r69 s ARG 50 Ca 0.00 -1.43 -0.06 0.00 -0.47 0.00 0.00 55.73 53.78 2r69 s ARG 50 Cb 0.00 0.02 0.02 0.00 -0.57 0.00 0.00 34.95 34.42 2r69 s ARG 50 CO 0.00 -0.17 0.18 -1.50 -1.08 0.00 0.00 175.30 172.74 2r69 s ILE 51 N -3.85 -0.01 -0.52 4.99 2.07 -0.64 -3.07 121.20 120.17 2r69 s ILE 51 Ca 0.20 0.03 -0.10 0.00 -1.41 0.00 0.00 60.65 59.37 2r69 s ILE 51 Cb 0.07 -0.27 0.13 0.00 0.13 0.00 0.00 42.46 42.53 2r69 s ILE 51 CO -0.00 0.01 0.41 -0.62 -1.91 0.00 0.00 174.94 172.83 2r69 s ASP 52 N 0.32 5.82 0.25 4.50 3.68 -0.87 -2.22 116.67 128.15 2r69 s ASP 52 Ca -0.02 -2.04 -0.12 0.00 2.13 0.00 0.00 52.55 52.50 2r69 s ASP 52 Cb -0.03 -2.04 0.34 0.00 -1.45 0.00 0.00 42.92 39.74 2r69 s ASP 52 CO -0.01 -0.68 1.57 -0.65 0.13 0.00 0.00 175.17 175.52 2r69 h PRO 53 N 8.34 -0.01 -0.01 4.34 0.11 -1.83 -2.22 132.00 140.71 2r69 h PRO 53 Ca -0.18 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.94 2r69 h PRO 53 Cb 1.06 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 2r69 h PRO 53 CO 0.87 -0.01 -0.37 0.00 -0.21 0.00 0.00 178.00 178.27 2r69 h ALA 54 N 1.70 -0.80 -0.96 -0.75 0.00 -1.88 -3.02 119.26 113.54 2r69 h ALA 54 Ca 0.40 -0.06 -0.48 0.00 0.00 0.00 0.00 54.91 54.78 2r69 h ALA 54 Cb 0.64 0.82 -0.28 0.00 0.00 0.00 0.00 17.79 18.97 2r69 h ALA 54 CO -0.94 -0.92 0.60 0.27 0.00 0.00 0.00 179.25 178.26 2r69 n ASN 55 N -4.54 3.90 0.00 0.00 6.94 -1.15 -4.92 115.26 115.49 2r69 n ASN 55 Ca -0.05 -3.56 0.00 0.00 -0.02 0.00 0.00 54.58 50.95 2r69 n ASN 55 Cb 0.27 -0.83 0.00 0.00 -2.36 0.00 0.00 39.78 36.87 2r69 n ASN 55 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2r69 n GLY 56 N -1.01 0.00 3.62 4.83 0.00 -0.85 -4.86 105.19 106.93 2r69 n GLY 56 Ca 0.57 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.28 2r69 n GLY 56 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2r69 n TYR 57 N -0.43 0.40 -3.65 1.61 4.02 -1.25 -4.73 117.16 113.12 2r69 n TYR 57 Ca 0.00 0.32 -0.01 0.00 -0.01 0.00 0.00 57.90 58.20 2r69 n TYR 57 Cb 0.00 -1.94 -0.07 0.00 -0.02 0.00 0.00 39.34 37.31 2r69 n TYR 57 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2r69 s SER 58 N -2.55 -0.10 0.08 7.72 1.04 -1.26 -2.06 113.70 116.57 2r69 s SER 58 Ca 0.66 0.18 0.07 0.00 0.48 0.00 0.00 55.95 57.34 2r69 s SER 58 Cb -0.23 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 2r69 s SER 58 CO 0.60 -0.03 -0.12 -0.75 0.98 0.00 0.00 173.24 173.92 2r69 s LYS 59 N 0.45 2.15 0.47 4.02 2.20 -1.17 -5.00 119.74 122.85 2r69 s LYS 59 Ca 0.01 -0.99 0.02 0.00 -0.36 0.00 0.00 55.97 54.66 2r69 s LYS 59 Cb -0.04 -2.30 -0.01 0.00 -1.51 0.00 0.00 37.83 33.97 2r69 s LYS 59 CO -0.13 0.52 0.07 0.71 -0.36 0.00 0.00 175.35 176.16 2r69 s TYR 60 N -1.13 1.80 -0.06 4.03 1.51 -1.26 -1.75 117.35 120.49 2r69 s TYR 60 Ca 0.19 -1.15 -0.28 0.00 -1.01 0.00 0.00 57.07 54.83 2r69 s TYR 60 Cb -0.11 -1.38 -0.02 0.00 -0.11 0.00 0.00 41.96 40.34 2r69 s TYR 60 CO 0.11 -0.05 0.91 0.34 -1.11 0.00 0.00 175.55 175.74 2r69 s ASP 61 N -3.76 7.20 0.14 2.29 -1.08 -1.24 -4.92 116.67 115.30 2r69 s ASP 61 Ca 0.13 1.46 -0.26 0.00 -0.52 0.00 0.00 52.55 53.36 2r69 s ASP 61 Cb 0.01 -2.52 -0.06 0.00 -1.46 0.00 0.00 42.92 38.90 2r69 s ASP 61 CO 0.08 -0.29 1.31 -0.81 0.52 0.00 0.00 175.17 175.98 2r69 n PRO 62 N 4.33 -0.37 0.00 4.34 -0.04 -1.26 -1.65 135.00 140.35 2r69 n PRO 62 Ca 0.05 1.28 0.04 0.00 -0.04 0.00 0.00 63.50 64.83 2r69 n PRO 62 Cb 0.50 -1.89 0.22 0.00 -0.04 0.00 0.00 33.50 32.30 2r69 n PRO 62 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2r69 n LYS 63 N -5.06 0.69 0.00 0.54 5.02 -1.26 -2.79 118.16 115.29 2r69 n LYS 63 Ca 0.02 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.41 2r69 n LYS 63 Cb 0.22 -1.17 -0.09 0.00 -0.02 0.00 0.00 35.03 33.97 2r69 n LYS 63 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2r69 n PHE 64 N -0.67 0.05 0.00 2.13 3.72 -0.66 -4.75 117.46 117.29 2r69 n PHE 64 Ca 0.06 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 2r69 n PHE 64 Cb 0.03 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.34 2r69 n PHE 64 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 2r69 n GLN 65 N -1.80 0.00 -0.22 -1.08 7.27 -1.12 -2.71 117.38 117.73 2r69 n GLN 65 Ca 0.01 0.20 0.19 0.00 0.07 0.00 0.00 57.00 57.48 2r69 n GLN 65 Cb 0.42 -0.93 0.33 0.00 2.41 0.00 0.00 30.24 32.47 2r69 n GLN 65 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2r69 n GLY 66 N -0.63 -0.41 0.00 1.69 0.00 -1.26 -2.18 105.19 102.40 2r69 n GLY 66 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.41 2r69 n GLY 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2r69 n LYS 67 N -3.81 0.00 -1.00 1.61 4.76 -1.13 -4.63 118.16 113.96 2r69 n LYS 67 Ca 0.20 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.36 2r69 n LYS 67 Cb 0.75 -0.06 0.24 0.00 -1.84 0.00 0.00 35.03 34.12 2r69 n LYS 67 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2r69 n ALA 68 N -3.00 -3.24 -3.06 7.82 0.00 -0.93 -3.13 120.51 114.97 2r69 n ALA 68 Ca 0.00 -1.55 0.03 0.00 0.00 0.00 0.00 53.44 51.92 2r69 n ALA 68 Cb 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 19.45 19.34 2r69 n ALA 68 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2r69 s THR 69 N -2.89 -0.60 0.52 0.00 2.01 -1.09 -4.76 115.64 108.82 2r69 s THR 69 Ca 0.67 0.00 -0.21 0.00 0.31 0.00 0.00 61.69 62.47 2r69 s THR 69 Cb -0.07 -0.28 -0.06 0.00 0.01 0.00 0.00 72.50 72.10 2r69 s THR 69 CO 0.52 0.00 1.18 -0.63 -0.69 0.00 0.00 174.62 175.00 2r69 s ILE 70 N 2.38 2.92 -0.30 1.82 1.01 -1.26 -4.06 121.20 123.71 2r69 s ILE 70 Ca 0.17 0.63 -0.16 0.00 0.00 0.00 0.00 60.65 61.29 2r69 s ILE 70 Cb -0.03 -3.29 0.18 0.00 0.01 0.00 0.00 42.46 39.33 2r69 s ILE 70 CO -0.17 -0.07 1.13 -0.89 0.00 0.00 0.00 174.94 174.94 2r69 s THR 71 N -1.60 -0.07 0.22 2.92 2.01 -0.94 -4.98 115.64 113.20 2r69 s THR 71 Ca 0.70 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.72 2r69 s THR 71 Cb -0.29 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.21 2r69 s THR 71 CO 0.33 0.00 0.08 0.00 -0.69 0.00 0.00 174.62 174.34 2r69 n ALA 72 N 3.73 0.32 -2.38 7.40 0.00 -1.26 -1.10 120.51 127.23 2r69 n ALA 72 Ca -0.15 -1.14 -0.15 0.00 0.00 0.00 0.00 53.44 52.00 2r69 n ALA 72 Cb 0.56 0.77 -0.08 0.00 0.00 0.00 0.00 19.45 20.70 2r69 n ALA 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2r69 s ASP 73 N -2.38 0.82 0.03 0.00 1.01 -1.26 -4.93 116.67 109.96 2r69 s ASP 73 Ca 0.11 -1.52 0.14 0.00 0.71 0.00 0.00 52.55 52.00 2r69 s ASP 73 Cb 0.01 0.50 0.59 0.00 1.01 0.00 0.00 42.92 45.02 2r69 s ASP 73 CO 0.08 -1.00 1.43 0.41 0.21 0.00 0.00 175.17 176.31 2r69 n THR 74 N -0.45 1.10 -0.98 -1.27 -1.04 -1.26 -4.79 114.28 105.59 2r69 n THR 74 Ca 0.04 0.28 0.00 0.00 -2.04 0.00 0.00 64.05 62.33 2r69 n THR 74 Cb 0.64 -1.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.07 2r69 n THR 74 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2r69 n SER 75 N -1.57 0.00 0.25 8.00 2.88 -1.26 -5.01 113.62 116.90 2r69 n SER 75 Ca 0.03 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.67 2r69 n SER 75 Cb 0.15 0.00 0.65 0.00 -0.75 0.00 0.00 64.21 64.26 2r69 n SER 75 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2r69 h SER 76 N 0.00 0.00 -4.81 -3.46 0.02 -2.05 -3.48 113.55 99.77 2r69 h SER 76 Ca 0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 2r69 h SER 76 Cb 0.00 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.55 2r69 h SER 76 CO 0.00 0.14 -0.02 0.59 -1.14 0.00 0.00 176.83 176.40 2r69 n ASN 77 N -3.92 0.69 -4.40 3.07 3.02 -1.26 -5.10 115.26 107.35 2r69 n ASN 77 Ca -0.02 -1.50 -0.30 0.00 -0.03 0.00 0.00 54.58 52.72 2r69 n ASN 77 Cb 0.23 -0.15 0.22 0.00 -0.61 0.00 0.00 39.78 39.48 2r69 n ASN 77 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2r69 n ALA 78 N -2.79 -3.30 -2.65 5.41 0.00 -1.26 -4.44 120.51 111.48 2r69 n ALA 78 Ca -0.05 -1.18 -0.40 0.00 0.00 0.00 0.00 53.44 51.81 2r69 n ALA 78 Cb 0.20 -1.82 -0.06 0.00 0.00 0.00 0.00 19.45 17.77 2r69 n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2r69 s ALA 79 N -2.35 3.57 0.52 0.00 0.00 -0.61 -4.38 121.76 118.52 2r69 s ALA 79 Ca 0.63 -0.34 0.06 0.00 0.00 0.00 0.00 51.96 52.31 2r69 s ALA 79 Cb -0.20 -2.99 0.06 0.00 0.00 0.00 0.00 23.12 19.99 2r69 s ALA 79 CO 0.65 -0.66 0.53 0.66 0.00 0.00 0.00 175.76 176.95 2r69 n TYR 80 N 5.33 -1.40 -3.60 0.00 4.02 -0.26 -0.87 117.16 120.38 2r69 n TYR 80 Ca -0.01 -2.05 -0.02 0.00 -0.01 0.00 0.00 57.90 55.80 2r69 n TYR 80 Cb 0.49 -0.45 -0.01 0.00 -0.02 0.00 0.00 39.34 39.35 2r69 n TYR 80 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 2r69 s LEU 81 N 0.00 -0.11 -0.29 7.72 2.96 -1.19 -2.23 118.68 125.54 2r69 s LEU 81 Ca 0.41 -0.05 -0.17 0.00 -0.22 0.00 0.00 54.13 54.09 2r69 s LEU 81 Cb -0.03 1.39 0.12 0.00 0.50 0.00 0.00 46.19 48.17 2r69 s LEU 81 CO 0.26 -0.26 0.90 -1.58 -1.32 0.00 0.00 176.35 174.34 2r69 s GLN 82 N -2.43 0.50 0.36 1.98 0.74 -1.26 -1.94 119.66 117.61 2r69 s GLN 82 Ca 0.11 0.82 0.03 0.00 0.05 0.00 0.00 55.36 56.37 2r69 s GLN 82 Cb 0.01 0.12 -0.01 0.00 1.10 0.00 0.00 33.01 34.23 2r69 s GLN 82 CO -0.04 -0.10 0.54 -0.51 -0.55 0.00 0.00 175.29 174.62 2r69 s LEU 83 N 1.28 3.92 0.09 3.68 1.43 -1.26 -2.67 118.68 125.15 2r69 s LEU 83 Ca -0.08 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 2r69 s LEU 83 Cb -0.04 -3.01 -0.04 0.00 0.03 0.00 0.00 46.19 43.13 2r69 s LEU 83 CO -0.15 -0.44 -0.05 -0.94 0.23 0.00 0.00 176.35 175.00 2r69 s SER 84 N -4.13 0.96 -1.35 2.29 1.04 -1.18 -4.08 113.70 107.24 2r69 s SER 84 Ca 0.43 -1.02 -0.20 0.00 0.48 0.00 0.00 55.95 55.64 2r69 s SER 84 Cb -0.10 0.13 0.03 0.00 0.10 0.00 0.00 66.02 66.18 2r69 s SER 84 CO 0.34 -0.51 0.42 -1.20 0.98 0.00 0.00 173.24 173.27 2r69 n SER 85 N -0.01 -2.10 -4.70 7.02 7.64 -1.23 -4.71 113.62 115.52 2r69 n SER 85 Ca -0.12 -1.28 -0.35 0.00 1.01 0.00 0.00 58.87 58.13 2r69 n SER 85 Cb 0.61 -1.72 0.10 0.00 -1.01 0.00 0.00 64.21 62.18 2r69 n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2r69 n LEU 86 N -4.85 5.15 0.00 -3.43 4.77 -1.26 -4.83 117.00 112.56 2r69 n LEU 86 Ca -0.20 0.71 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 2r69 n LEU 86 Cb 0.62 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.18 2r69 n LEU 86 CO 0.78 -1.38 0.00 0.35 -1.33 0.00 0.00 177.39 175.81 2r69 n THR 87 N -2.55 0.00 -0.11 -5.08 -2.24 -1.26 -3.41 114.28 99.63 2r69 n THR 87 Ca 0.15 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.71 2r69 n THR 87 Cb 0.49 -0.17 -0.12 0.00 -2.10 0.00 0.00 70.33 68.43 2r69 n THR 87 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2r69 n SER 88 N 0.00 1.99 -0.36 3.42 2.88 -1.26 -4.40 113.62 115.89 2r69 n SER 88 Ca 0.00 0.05 0.08 0.00 -1.33 0.00 0.00 58.87 57.66 2r69 n SER 88 Cb 0.00 -0.60 0.25 0.00 -0.75 0.00 0.00 64.21 63.11 2r69 n SER 88 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2r69 h GLU 89 N -0.25 0.94 0.00 -1.46 4.11 -1.98 0.21 114.58 116.14 2r69 h GLU 89 Ca -0.57 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 58.80 2r69 h GLU 89 Cb 1.83 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.87 2r69 h GLU 89 CO -0.14 0.62 0.00 -0.25 0.07 0.00 0.00 179.01 179.31 2r69 n ASP 90 N -4.64 0.00 -4.55 3.06 9.92 -1.26 -4.41 116.55 114.66 2r69 n ASP 90 Ca 0.19 0.47 -0.32 0.00 -0.53 0.00 0.00 54.79 54.61 2r69 n ASP 90 Cb 0.38 -0.47 -0.04 0.00 -0.64 0.00 0.00 41.12 40.34 2r69 n ASP 90 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2r69 s THR 91 N -2.95 3.24 -0.09 -3.53 2.01 0.73 -4.78 115.64 110.28 2r69 s THR 91 Ca 0.02 -0.00 -0.32 0.00 0.31 0.00 0.00 61.69 61.70 2r69 s THR 91 Cb 0.02 -3.60 0.13 0.00 0.01 0.00 0.00 72.50 69.05 2r69 s THR 91 CO 0.05 -0.58 1.40 0.00 -0.69 0.00 0.00 174.62 174.81 2r69 s ALA 92 N 10.87 -2.60 0.58 7.40 0.00 0.29 -4.84 121.76 133.46 2r69 s ALA 92 Ca 0.79 0.61 -0.18 0.00 0.00 0.00 0.00 51.96 53.19 2r69 s ALA 92 Cb -0.12 0.53 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 2r69 s ALA 92 CO 0.15 -1.11 1.09 0.08 0.00 0.00 0.00 175.76 175.98 2r69 s VAL 93 N -2.04 3.42 0.01 0.00 1.01 -0.46 -3.32 120.40 119.03 2r69 s VAL 93 Ca 0.22 0.77 0.02 0.00 0.00 0.00 0.00 61.98 63.00 2r69 s VAL 93 Cb 0.04 -3.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 2r69 s VAL 93 CO -0.05 -0.30 -0.07 -0.31 0.00 0.00 0.00 175.10 174.37 2r69 s TYR 94 N -2.11 0.65 0.18 5.22 4.12 -1.26 -1.45 117.35 122.70 2r69 s TYR 94 Ca 0.68 -0.24 0.07 0.00 0.02 0.00 0.00 57.07 57.61 2r69 s TYR 94 Cb -0.20 -0.41 -0.04 0.00 -1.52 0.00 0.00 41.96 39.79 2r69 s TYR 94 CO 0.32 -0.03 -0.14 -0.06 0.02 0.00 0.00 175.55 175.66 2r69 s PHE 95 N -0.56 1.61 0.08 2.71 0.40 -0.91 -4.88 117.98 116.43 2r69 s PHE 95 Ca -0.01 -0.58 0.06 0.00 -0.60 0.00 0.00 56.93 55.81 2r69 s PHE 95 Cb -0.05 -0.78 -0.03 0.00 0.51 0.00 0.00 43.02 42.67 2r69 s PHE 95 CO 0.00 0.28 -0.17 0.00 0.70 0.00 0.00 175.22 176.03 2r69 n ALA 97 N 1.33 0.40 0.00 0.00 0.00 -1.15 -1.63 120.51 119.47 2r69 n ALA 97 Ca -0.20 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.12 2r69 n ALA 97 Cb 0.54 0.89 0.00 0.00 0.00 0.00 0.00 19.45 20.88 2r69 n ALA 97 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2r69 n ARG 98 N -0.38 0.00 -2.38 0.00 1.85 -1.24 -1.02 116.66 113.48 2r69 n ARG 98 Ca 0.04 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.46 2r69 n ARG 98 Cb 0.35 -0.41 -0.02 0.00 -1.05 0.00 0.00 32.46 31.32 2r69 n ARG 98 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2r69 s ASP 99 N -2.38 6.87 0.16 2.89 1.11 -1.26 -2.89 116.67 121.16 2r69 s ASP 99 Ca 0.00 1.67 -0.30 0.00 0.18 0.00 0.00 52.55 54.09 2r69 s ASP 99 Cb 0.00 -2.54 -0.08 0.00 1.07 0.00 0.00 42.92 41.38 2r69 s ASP 99 CO 0.00 -0.84 1.22 -0.47 1.18 0.00 0.00 175.17 176.27 2r69 s TYR 100 N 3.72 3.40 0.00 4.23 6.14 -1.26 -3.00 117.35 130.58 2r69 s TYR 100 Ca 0.57 1.34 0.00 0.00 0.64 0.00 0.00 57.07 59.62 2r69 s TYR 100 Cb -0.22 -3.47 0.00 0.00 0.42 0.00 0.00 41.96 38.69 2r69 s TYR 100 CO 0.17 -1.38 0.00 0.39 0.64 0.00 0.00 175.55 175.37 2r69 n GLU 101 N 2.87 0.00 -0.01 4.97 1.02 -1.26 -4.96 120.64 123.26 2r69 n GLU 101 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2r69 n GLU 101 Cb 0.45 -1.81 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 2r69 n GLU 101 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2r69 n GLY 102 N -0.81 0.78 3.59 0.62 0.00 -1.16 -4.94 105.19 103.27 2r69 n GLY 102 Ca 0.00 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 2r69 n GLY 102 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2r69 s PHE 103 N 0.00 1.71 -0.16 1.61 2.99 -1.24 -4.33 117.98 118.55 2r69 s PHE 103 Ca 0.00 0.67 -0.18 0.00 0.00 0.00 0.00 56.93 57.42 2r69 s PHE 103 Cb 0.00 -4.09 -0.15 0.00 0.00 0.00 0.00 43.02 38.78 2r69 s PHE 103 CO 0.00 -2.97 0.25 0.00 -0.00 0.00 0.00 175.22 172.50 2r69 h ALA 104 N 13.53 0.11 -3.60 5.36 0.00 -1.92 -3.47 119.26 129.28 2r69 h ALA 104 Ca -0.33 -0.74 -0.68 0.00 0.00 0.00 0.00 54.91 53.16 2r69 h ALA 104 Cb 1.18 0.41 -0.30 0.00 0.00 0.00 0.00 17.79 19.09 2r69 h ALA 104 CO 1.05 0.40 -0.83 0.71 0.00 0.00 0.00 179.25 180.57 2r69 s TYR 105 N -2.20 2.62 0.00 0.00 2.02 -1.26 -5.09 117.35 113.44 2r69 s TYR 105 Ca -0.20 -0.74 0.00 0.00 -0.37 0.00 0.00 57.07 55.76 2r69 s TYR 105 Cb 0.02 -1.71 0.00 0.00 -0.40 0.00 0.00 41.96 39.87 2r69 s TYR 105 CO 0.47 -0.23 0.00 0.91 -1.57 0.00 0.00 175.55 175.12 2r69 n TRP 106 N 3.23 -0.20 0.00 2.71 7.02 -1.26 -3.73 117.44 125.21 2r69 n TRP 106 Ca -0.18 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.30 2r69 n TRP 106 Cb 0.53 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.42 2r69 n TRP 106 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2r69 n GLY 107 N 5.00 0.67 2.84 6.99 0.00 -0.64 -4.52 105.19 115.53 2r69 n GLY 107 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2r69 n GLY 107 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2r69 s LEU 111 N 0.00 1.39 -0.07 0.99 0.20 -1.26 -4.82 118.68 115.11 2r69 s LEU 111 Ca 0.00 -0.02 0.04 0.00 0.69 0.00 0.00 54.13 54.84 2r69 s LEU 111 Cb 0.00 -0.17 0.00 0.00 -0.43 0.00 0.00 46.19 45.59 2r69 s LEU 111 CO 0.00 -0.07 -0.19 -0.69 -0.29 0.00 0.00 176.35 175.11 2r69 s VAL 112 N 0.72 1.63 0.07 1.68 1.01 -1.21 -3.36 120.40 120.94 2r69 s VAL 112 Ca -0.07 -0.79 0.08 0.00 0.00 0.00 0.00 61.98 61.20 2r69 s VAL 112 Cb -0.10 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 2r69 s VAL 112 CO -0.01 0.46 -0.22 -0.89 0.00 0.00 0.00 175.10 174.44 2r69 s THR 113 N 0.32 1.80 -0.39 3.92 2.01 -1.17 -0.55 115.64 121.58 2r69 s THR 113 Ca -0.13 -1.36 -0.06 0.00 0.31 0.00 0.00 61.69 60.46 2r69 s THR 113 Cb -0.15 -1.58 0.08 0.00 0.01 0.00 0.00 72.50 70.85 2r69 s THR 113 CO 0.05 0.16 0.18 -0.69 -0.69 0.00 0.00 174.62 173.63 2r69 s VAL 114 N -0.91 3.74 0.15 3.82 1.01 -1.26 -1.98 120.40 124.97 2r69 s VAL 114 Ca 0.08 -1.52 -0.05 0.00 0.00 0.00 0.00 61.98 60.49 2r69 s VAL 114 Cb -0.09 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 2r69 s VAL 114 CO 0.03 -0.45 0.18 -0.55 0.00 0.00 0.00 175.10 174.31 2r69 s SER 115 N 1.81 0.16 -0.16 3.32 0.15 -0.62 -4.87 113.70 113.50 2r69 s SER 115 Ca 0.02 -1.03 -0.13 0.00 0.70 0.00 0.00 55.95 55.52 2r69 s SER 115 Cb -0.22 0.37 -0.08 0.00 -1.71 0.00 0.00 66.02 64.39 2r69 s SER 115 CO 0.00 -0.82 -0.08 -1.20 1.20 0.00 0.00 173.24 172.34 2r69 n SER 116 N -0.16 1.83 -4.78 5.45 7.64 -1.26 -4.17 113.62 118.17 2r69 n SER 116 Ca -0.06 0.57 -0.38 0.00 1.01 0.00 0.00 58.87 60.01 2r69 n SER 116 Cb 0.63 -0.89 -0.06 0.00 -1.01 0.00 0.00 64.21 62.88 2r69 n SER 116 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2r69 s ALA 117 N -2.63 3.58 1.11 -0.43 0.00 -1.26 -5.07 121.76 117.05 2r69 s ALA 117 Ca -0.19 -0.17 -0.19 0.00 0.00 0.00 0.00 51.96 51.41 2r69 s ALA 117 Cb 0.03 -2.54 0.26 0.00 0.00 0.00 0.00 23.12 20.87 2r69 s ALA 117 CO 0.33 0.24 1.25 1.17 0.00 0.00 0.00 175.76 178.75 2r69 n LYS 118 N 2.70 -2.12 -1.66 0.00 0.00 -1.26 -4.90 118.16 110.92 2r69 n LYS 118 Ca -0.10 -1.96 -0.50 0.00 0.00 0.00 0.00 58.31 55.74 2r69 n LYS 118 Cb 0.52 -1.51 -0.05 0.00 0.00 0.00 0.00 35.03 33.98 2r69 n LYS 118 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2r69 n THR 119 N -4.31 0.19 -3.79 3.15 -2.24 -1.26 -4.82 114.28 101.20 2r69 n THR 119 Ca 0.16 -0.03 -0.22 0.00 -2.27 0.00 0.00 64.05 61.69 2r69 n THR 119 Cb 0.59 -1.35 -0.17 0.00 -2.10 0.00 0.00 70.33 67.30 2r69 n THR 119 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2r69 s THR 120 N 1.98 0.35 0.58 4.28 -4.23 -1.26 -4.90 115.64 112.45 2r69 s THR 120 Ca 0.87 0.13 -0.16 0.00 -1.18 0.00 0.00 61.69 61.35 2r69 s THR 120 Cb -0.83 -0.51 -0.13 0.00 1.34 0.00 0.00 72.50 72.37 2r69 s THR 120 CO 0.49 0.25 -0.30 -0.81 -0.54 0.00 0.00 174.62 173.71 2r69 n PRO 121 N 5.07 0.00 -2.42 3.99 -0.04 -1.26 -3.94 135.00 136.41 2r69 n PRO 121 Ca -0.08 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.13 2r69 n PRO 121 Cb 0.50 -0.89 0.10 0.00 -0.04 0.00 0.00 33.50 33.18 2r69 n PRO 121 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2r69 s PRO 122 N -1.17 1.75 -0.19 0.54 0.04 -1.26 -4.39 135.00 130.32 2r69 s PRO 122 Ca 0.46 -0.79 0.01 0.00 0.04 0.00 0.00 61.00 60.72 2r69 s PRO 122 Cb -0.35 -2.25 0.04 0.00 0.04 0.00 0.00 34.50 31.98 2r69 s PRO 122 CO 0.63 -1.45 -0.12 -1.12 0.04 0.00 0.00 177.00 174.99 2r69 s SER 123 N -4.67 3.21 -0.15 6.66 0.01 0.21 -4.92 113.70 114.05 2r69 s SER 123 Ca 0.65 -0.78 -0.01 0.00 1.31 0.00 0.00 55.95 57.12 2r69 s SER 123 Cb -0.07 -1.23 -0.01 0.00 0.21 0.00 0.00 66.02 64.92 2r69 s SER 123 CO 0.45 -0.12 -0.12 0.54 0.41 0.00 0.00 173.24 174.40 2r69 s VAL 124 N 1.41 3.04 -0.07 3.43 0.11 -1.26 0.12 120.40 127.18 2r69 s VAL 124 Ca 0.01 -0.65 0.03 0.00 -2.93 0.00 0.00 61.98 58.44 2r69 s VAL 124 Cb -0.15 -2.29 0.00 0.00 -1.53 0.00 0.00 36.38 32.41 2r69 s VAL 124 CO -0.09 0.51 -0.17 -0.31 -3.33 0.00 0.00 175.10 171.71 2r69 s TYR 125 N 0.57 1.86 0.19 1.54 2.02 0.14 -4.98 117.35 118.70 2r69 s TYR 125 Ca -0.08 -0.68 -0.30 0.00 -0.37 0.00 0.00 57.07 55.65 2r69 s TYR 125 Cb -0.16 -1.29 -0.08 0.00 -0.40 0.00 0.00 41.96 40.04 2r69 s TYR 125 CO 0.03 -0.29 1.13 -1.25 -1.57 0.00 0.00 175.55 173.60 2r69 s PRO 126 N 0.40 4.57 -0.32 -1.71 0.04 -1.26 -0.59 135.00 136.12 2r69 s PRO 126 Ca -0.13 1.77 -0.05 0.00 0.04 0.00 0.00 61.00 62.63 2r69 s PRO 126 Cb -0.15 -3.26 0.04 0.00 0.04 0.00 0.00 34.50 31.17 2r69 s PRO 126 CO 0.05 0.04 0.07 -0.51 0.04 0.00 0.00 177.00 176.69 2r69 s LEU 127 N -0.43 4.17 0.14 -3.56 1.43 -1.12 -4.81 118.68 114.50 2r69 s LEU 127 Ca 0.50 -1.15 -0.09 0.00 -1.03 0.00 0.00 54.13 52.36 2r69 s LEU 127 Cb -0.30 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 2r69 s LEU 127 CO 0.36 -0.30 0.25 0.00 0.23 0.00 0.00 176.35 176.89 2r69 s ALA 128 N 1.37 -0.05 0.00 4.21 0.00 -1.26 -3.27 121.76 122.75 2r69 s ALA 128 Ca -0.02 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.12 2r69 s ALA 128 Cb -0.19 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.68 2r69 s ALA 128 CO 0.02 -0.60 0.00 -0.35 0.00 0.00 0.00 175.76 174.82 2r69 n PRO 129 N -0.17 0.00 0.00 0.00 -0.04 -1.26 -5.07 135.00 128.46 2r69 n PRO 129 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 2r69 n PRO 129 Cb 0.63 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.09 2r69 n PRO 129 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2r69 n GLY 130 N 0.00 0.81 0.00 0.55 0.00 -1.26 -4.90 105.19 100.38 2r69 n GLY 130 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.31 2r69 n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r69 n ALA 131 N -1.00 1.14 0.09 4.61 0.00 -1.26 -5.27 120.51 118.83 2r69 n ALA 131 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2r69 n ALA 131 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2r69 n ALA 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2r69 n ALA 132 N -0.10 1.45 -2.28 0.00 0.00 -1.26 -5.38 120.51 112.93 2r69 n ALA 132 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 2r69 n ALA 132 Cb 0.40 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.75 2r69 n ALA 132 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2r69 s VAL 139 N -2.00 1.17 -0.29 0.00 1.01 -1.16 -5.19 120.40 113.93 2r69 s VAL 139 Ca 0.00 -2.06 -0.02 0.00 0.00 0.00 0.00 61.98 59.90 2r69 s VAL 139 Cb 0.00 -2.00 0.19 0.00 0.00 0.00 0.00 36.38 34.58 2r69 s VAL 139 CO 0.00 -0.62 0.79 0.42 0.00 0.00 0.00 175.10 175.69 2r69 s THR 140 N -3.33 -0.67 0.00 3.92 -4.23 -1.26 -3.37 115.64 106.70 2r69 s THR 140 Ca 0.20 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.71 2r69 s THR 140 Cb 0.03 -0.66 0.00 0.00 1.34 0.00 0.00 72.50 73.21 2r69 s THR 140 CO 0.03 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.11 2r69 n LEU 141 N 5.27 0.00 0.00 4.79 -0.00 -1.26 -4.82 117.00 120.98 2r69 n LEU 141 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 2r69 n LEU 141 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 2r69 n LEU 141 CO -0.11 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 177.89 2r69 n GLY 142 N 0.00 -0.88 3.60 1.47 0.00 -1.20 -3.61 105.19 104.57 2r69 n GLY 142 Ca 0.00 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 2r69 n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r69 s LEU 144 N -0.19 3.56 -0.03 0.00 0.20 0.24 -2.95 118.68 119.51 2r69 s LEU 144 Ca -0.02 -0.17 0.01 0.00 0.69 0.00 0.00 54.13 54.64 2r69 s LEU 144 Cb -0.03 -2.25 0.02 0.00 -0.43 0.00 0.00 46.19 43.49 2r69 s LEU 144 CO 0.02 0.15 -0.03 -0.69 -0.29 0.00 0.00 176.35 175.50 2r69 s VAL 145 N -1.44 0.42 -0.01 1.68 1.01 0.82 0.25 120.40 123.13 2r69 s VAL 145 Ca 0.27 -0.09 -0.21 0.00 0.00 0.00 0.00 61.98 61.95 2r69 s VAL 145 Cb -0.11 -0.44 0.04 0.00 0.00 0.00 0.00 36.38 35.87 2r69 s VAL 145 CO 0.20 0.18 0.47 -1.59 0.00 0.00 0.00 175.10 174.35 2r69 s LYS 146 N 0.72 0.87 -0.00 2.72 -2.85 0.32 0.70 119.74 122.22 2r69 s LYS 146 Ca -0.09 -0.08 -0.00 0.00 -1.00 0.00 0.00 55.97 54.80 2r69 s LYS 146 Cb -0.12 0.40 0.00 0.00 -2.06 0.00 0.00 37.83 36.05 2r69 s LYS 146 CO -0.00 -0.27 0.00 0.41 0.10 0.00 0.00 175.35 175.59 2r69 n GLY 147 N 0.95 0.55 3.42 0.59 0.00 0.26 -0.62 105.19 110.35 2r69 n GLY 147 Ca -0.20 -0.52 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 2r69 n GLY 147 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2r69 s TYR 148 N -3.00 1.88 0.00 1.61 -0.85 -1.20 -4.48 117.35 111.32 2r69 s TYR 148 Ca 0.00 -0.88 0.00 0.00 -0.52 0.00 0.00 57.07 55.67 2r69 s TYR 148 Cb -0.00 -1.17 0.00 0.00 0.38 0.00 0.00 41.96 41.17 2r69 s TYR 148 CO 0.00 0.07 0.00 0.34 -1.52 0.00 0.00 175.55 174.44 2r69 n PHE 149 N -0.61 0.00 -1.20 -3.49 7.35 -1.25 0.12 117.46 118.38 2r69 n PHE 149 Ca -0.04 0.00 -0.44 0.00 -0.76 0.00 0.00 57.45 56.21 2r69 n PHE 149 Cb 0.65 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.44 2r69 n PHE 149 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 2r69 n PRO 150 N -1.15 0.00 0.00 -7.13 -0.04 -1.26 -4.69 135.00 120.72 2r69 n PRO 150 Ca 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.47 2r69 n PRO 150 Cb 0.00 -1.03 0.05 0.00 -0.04 0.00 0.00 33.50 32.48 2r69 n PRO 150 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2r69 n GLU 151 N 1.03 0.28 -4.38 0.54 0.00 -1.26 -4.81 120.64 112.05 2r69 n GLU 151 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 57.00 2r69 n GLU 151 Cb 0.14 -1.10 -0.10 0.00 0.00 0.00 0.00 31.44 30.38 2r69 n GLU 151 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.13 174.99 2r69 s PRO 152 N -2.00 2.55 -0.43 5.31 0.02 -1.26 -5.04 135.00 134.14 2r69 s PRO 152 Ca 0.03 -0.74 0.06 0.00 0.02 0.00 0.00 61.00 60.36 2r69 s PRO 152 Cb 0.01 -2.51 0.18 0.00 0.02 0.00 0.00 34.50 32.20 2r69 s PRO 152 CO 0.02 0.59 0.57 0.14 -0.33 0.00 0.00 177.00 178.00 2r69 s VAL 153 N -1.06 -0.73 -0.03 3.83 -7.23 -1.26 -4.42 120.40 109.50 2r69 s VAL 153 Ca 0.19 -0.74 -0.30 0.00 -1.81 0.00 0.00 61.98 59.32 2r69 s VAL 153 Cb -0.11 -0.26 -0.07 0.00 0.56 0.00 0.00 36.38 36.50 2r69 s VAL 153 CO 0.09 -0.24 1.79 -0.89 -0.31 0.00 0.00 175.10 175.54 2r69 s THR 154 N 1.31 3.35 -0.21 5.32 2.01 -0.01 -4.75 115.64 122.66 2r69 s THR 154 Ca 0.22 0.43 0.01 0.00 0.31 0.00 0.00 61.69 62.65 2r69 s THR 154 Cb -0.05 -3.28 0.03 0.00 0.01 0.00 0.00 72.50 69.21 2r69 s THR 154 CO -0.06 -0.05 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.46 2r69 s LEU 155 N 4.36 2.67 0.16 4.42 0.20 -1.26 0.13 118.68 129.36 2r69 s LEU 155 Ca 0.80 -0.84 0.11 0.00 0.69 0.00 0.00 54.13 54.88 2r69 s LEU 155 Cb -0.37 -1.55 -0.04 0.00 -0.43 0.00 0.00 46.19 43.81 2r69 s LEU 155 CO 0.34 -0.07 -0.24 -0.89 -0.29 0.00 0.00 176.35 175.21 2r69 s THR 156 N 1.27 2.41 -0.01 3.68 2.01 0.20 -5.00 115.64 120.19 2r69 s THR 156 Ca 0.01 -1.87 -0.01 0.00 0.31 0.00 0.00 61.69 60.14 2r69 s THR 156 Cb -0.15 -2.12 -0.00 0.00 0.01 0.00 0.00 72.50 70.23 2r69 s THR 156 CO -0.09 -0.02 -0.01 -0.50 -0.69 0.00 0.00 174.62 173.31 2r69 h TRP 157 N 3.48 0.00 0.00 4.92 4.06 -1.86 -0.89 115.95 125.66 2r69 h TRP 157 Ca -0.48 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.37 2r69 h TRP 157 Cb 1.19 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.34 2r69 h TRP 157 CO 0.65 0.00 -1.03 0.09 -3.56 0.00 0.00 178.44 174.59 2r69 n ASN 158 N -2.42 1.19 0.01 -3.49 5.03 -1.26 -3.57 115.26 110.75 2r69 n ASN 158 Ca -0.01 0.19 0.00 0.00 0.87 0.00 0.00 54.58 55.63 2r69 n ASN 158 Cb 0.02 -0.44 0.00 0.00 -1.02 0.00 0.00 39.78 38.33 2r69 n ASN 158 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 2r69 n SER 159 N -3.75 -0.14 0.00 6.41 3.41 -1.26 -4.91 113.62 113.37 2r69 n SER 159 Ca -0.15 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 2r69 n SER 159 Cb 0.44 0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.80 2r69 n SER 159 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2r69 n GLY 160 N -0.28 -0.06 0.51 5.00 0.00 -1.26 -4.94 105.19 104.15 2r69 n GLY 160 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 2r69 n GLY 160 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2r69 n SER 161 N 0.00 2.26 -1.10 1.61 7.64 -1.26 -4.27 113.62 118.50 2r69 n SER 161 Ca 0.00 -1.65 -0.03 0.00 1.01 0.00 0.00 58.87 58.20 2r69 n SER 161 Cb 0.00 -0.08 0.14 0.00 -1.01 0.00 0.00 64.21 63.26 2r69 n SER 161 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2r69 n LEU 162 N 0.58 3.29 0.00 -3.43 7.99 -1.26 -5.03 117.00 119.15 2r69 n LEU 162 Ca 0.08 -4.07 -0.13 0.00 -0.01 0.00 0.00 56.01 51.88 2r69 n LEU 162 Cb 0.33 -0.43 0.08 0.00 -0.11 0.00 0.00 43.42 43.28 2r69 n LEU 162 CO 0.07 1.58 0.34 -1.20 -1.51 0.00 0.00 177.39 176.68 2r69 n SER 163 N -0.92 0.49 -3.76 -1.43 7.64 -1.26 -4.53 113.62 109.84 2r69 n SER 163 Ca 0.26 -1.48 -0.29 0.00 1.01 0.00 0.00 58.87 58.37 2r69 n SER 163 Cb 0.79 -0.40 0.02 0.00 -1.01 0.00 0.00 64.21 63.61 2r69 n SER 163 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2r69 n SER 164 N -3.11 -5.12 0.00 6.43 2.88 -1.26 -4.61 113.62 108.83 2r69 n SER 164 Ca 0.09 -0.97 0.00 0.00 -1.33 0.00 0.00 58.87 56.66 2r69 n SER 164 Cb 0.30 -2.47 0.00 0.00 -0.75 0.00 0.00 64.21 61.29 2r69 n SER 164 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2r69 n GLY 165 N -1.79 0.02 3.78 0.46 0.00 -1.26 -5.14 105.19 101.26 2r69 n GLY 165 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 2r69 n GLY 165 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2r69 s VAL 166 N 0.00 3.30 -0.35 1.61 1.01 -1.26 -3.64 120.40 121.07 2r69 s VAL 166 Ca 0.00 0.81 -0.01 0.00 0.00 0.00 0.00 61.98 62.79 2r69 s VAL 166 Cb 0.00 -3.33 0.13 0.00 0.00 0.00 0.00 36.38 33.18 2r69 s VAL 166 CO 0.00 -0.17 0.19 -1.00 0.00 0.00 0.00 175.10 174.12 2r69 s HIS 167 N -1.81 0.83 -0.38 5.22 3.76 0.54 -4.99 115.29 118.47 2r69 s HIS 167 Ca 0.71 -1.56 -0.22 0.00 -0.15 0.00 0.00 55.06 53.84 2r69 s HIS 167 Cb -0.22 -1.06 0.01 0.00 1.11 0.00 0.00 32.58 32.41 2r69 s HIS 167 CO 0.26 -0.83 0.72 0.99 -0.85 0.00 0.00 174.74 175.02 2r69 s THR 168 N 1.24 4.79 0.28 1.30 2.01 -1.26 -0.61 115.64 123.39 2r69 s THR 168 Ca 0.16 0.65 -0.11 0.00 0.31 0.00 0.00 61.69 62.70 2r69 s THR 168 Cb -0.21 -4.17 -0.07 0.00 0.01 0.00 0.00 72.50 68.05 2r69 s THR 168 CO -0.08 -0.44 0.63 -0.36 -0.69 0.00 0.00 174.62 173.68 2r69 s PHE 169 N 2.95 3.42 1.02 4.92 0.40 -1.13 -5.02 117.98 124.53 2r69 s PHE 169 Ca 0.28 0.97 -0.19 0.00 -0.60 0.00 0.00 56.93 57.39 2r69 s PHE 169 Cb -0.14 -2.35 -0.05 0.00 0.51 0.00 0.00 43.02 41.00 2r69 s PHE 169 CO 0.17 0.16 -0.45 -0.35 0.70 0.00 0.00 175.22 175.45 2r69 n PRO 170 N -0.42 -0.48 -1.40 0.24 -0.04 -1.26 -4.56 135.00 127.08 2r69 n PRO 170 Ca 0.01 -0.13 -0.31 0.00 -0.04 0.00 0.00 63.50 63.04 2r69 n PRO 170 Cb 0.53 -1.40 0.08 0.00 -0.04 0.00 0.00 33.50 32.66 2r69 n PRO 170 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2r69 s ALA 171 N -2.16 2.39 0.00 0.55 0.00 -1.26 -4.56 121.76 116.72 2r69 s ALA 171 Ca 0.48 0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.59 2r69 s ALA 171 Cb -0.11 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 2r69 s ALA 171 CO 0.71 -1.58 -0.06 0.08 0.00 0.00 0.00 175.76 174.91 2r69 s VAL 172 N -2.98 0.45 -0.29 0.00 1.01 0.49 -4.98 120.40 114.09 2r69 s VAL 172 Ca 0.60 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.21 2r69 s VAL 172 Cb -0.16 -0.41 0.08 0.00 0.00 0.00 0.00 36.38 35.89 2r69 s VAL 172 CO 0.56 0.03 -0.01 -1.48 0.00 0.00 0.00 175.10 174.19 2r69 s LEU 173 N -0.40 3.69 0.16 3.92 2.34 -1.26 -1.06 118.68 126.07 2r69 s LEU 173 Ca -0.00 -1.70 -0.09 0.00 0.06 0.00 0.00 54.13 52.40 2r69 s LEU 173 Cb -0.04 -1.43 -0.06 0.00 -0.56 0.00 0.00 46.19 44.09 2r69 s LEU 173 CO -0.00 -0.30 0.48 0.00 -1.06 0.00 0.00 176.35 175.46 2r69 s GLN 174 N 1.13 3.77 -0.04 1.48 -2.07 -1.17 -4.95 119.66 117.82 2r69 s GLN 174 Ca 0.02 0.19 -0.30 0.00 -1.82 0.00 0.00 55.36 53.46 2r69 s GLN 174 Cb -0.19 -2.81 -0.05 0.00 -1.09 0.00 0.00 33.01 28.87 2r69 s GLN 174 CO -0.09 0.43 1.58 -1.12 -1.32 0.00 0.00 175.29 174.78 2r69 s SER 175 N -2.16 6.71 -0.79 12.60 0.01 -1.26 -3.06 113.70 125.75 2r69 s SER 175 Ca 0.41 2.19 -0.02 0.00 1.31 0.00 0.00 55.95 59.85 2r69 s SER 175 Cb -0.13 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.57 2r69 s SER 175 CO 0.21 -0.88 0.22 0.47 0.41 0.00 0.00 173.24 173.67 2r69 n ASP 176 N 6.70 -3.67 -3.57 2.44 9.92 -1.26 -5.02 116.55 122.09 2r69 n ASP 176 Ca 0.16 -0.10 -0.15 0.00 -0.53 0.00 0.00 54.79 54.16 2r69 n ASP 176 Cb 0.43 -2.67 -0.06 0.00 -0.64 0.00 0.00 41.12 38.17 2r69 n ASP 176 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2r69 s LEU 177 N -3.35 -0.65 0.48 0.64 1.43 -1.17 -4.89 118.68 111.17 2r69 s LEU 177 Ca 0.11 0.92 0.05 0.00 -1.03 0.00 0.00 54.13 54.18 2r69 s LEU 177 Cb -0.05 2.41 -0.02 0.00 0.03 0.00 0.00 46.19 48.56 2r69 s LEU 177 CO 0.13 -0.44 0.19 -0.31 0.23 0.00 0.00 176.35 176.15 2r69 s TYR 178 N -0.60 2.12 -0.25 0.29 2.02 0.33 -3.02 117.35 118.24 2r69 s TYR 178 Ca -0.06 -0.76 -0.22 0.00 -0.37 0.00 0.00 57.07 55.66 2r69 s TYR 178 Cb -0.02 -1.85 0.07 0.00 -0.40 0.00 0.00 41.96 39.76 2r69 s TYR 178 CO 0.05 0.02 0.65 0.99 -1.57 0.00 0.00 175.55 175.69 2r69 s THR 179 N -2.73 -0.00 0.00 -0.71 2.01 -0.23 0.91 115.64 114.90 2r69 s THR 179 Ca 0.29 0.00 -0.23 0.00 0.31 0.00 0.00 61.69 62.06 2r69 s THR 179 Cb 0.02 -0.91 0.05 0.00 0.01 0.00 0.00 72.50 71.67 2r69 s THR 179 CO 0.17 0.00 0.52 -0.22 -0.69 0.00 0.00 174.62 174.40 2r69 s LEU 180 N 0.52 -0.04 0.22 4.42 0.20 0.22 -0.38 118.68 123.84 2r69 s LEU 180 Ca -0.01 0.32 0.07 0.00 0.69 0.00 0.00 54.13 55.19 2r69 s LEU 180 Cb -0.05 2.05 -0.05 0.00 -0.43 0.00 0.00 46.19 47.72 2r69 s LEU 180 CO -0.02 -0.62 -0.10 -0.94 -0.29 0.00 0.00 176.35 174.37 2r69 s SER 181 N -1.59 2.46 -0.25 3.68 1.04 -1.26 -0.13 113.70 117.65 2r69 s SER 181 Ca -0.09 -1.08 -0.16 0.00 0.48 0.00 0.00 55.95 55.10 2r69 s SER 181 Cb -0.01 -0.12 0.07 0.00 0.10 0.00 0.00 66.02 66.06 2r69 s SER 181 CO 0.03 -0.27 0.63 -0.94 0.98 0.00 0.00 173.24 173.68 2r69 s SER 182 N -3.33 -0.81 -0.09 7.02 1.04 -1.15 -2.85 113.70 113.52 2r69 s SER 182 Ca 0.24 1.36 0.03 0.00 0.48 0.00 0.00 55.95 58.06 2r69 s SER 182 Cb 0.01 1.27 -0.01 0.00 0.10 0.00 0.00 66.02 67.39 2r69 s SER 182 CO 0.08 -0.23 -0.18 -0.55 0.98 0.00 0.00 173.24 173.33 2r69 s SER 183 N 1.31 3.61 -0.44 7.02 0.15 0.22 -2.57 113.70 123.00 2r69 s SER 183 Ca -0.08 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.19 2r69 s SER 183 Cb -0.05 -1.22 0.12 0.00 -1.71 0.00 0.00 66.02 63.15 2r69 s SER 183 CO -0.14 0.22 0.20 0.54 1.20 0.00 0.00 173.24 175.26 2r69 s VAL 184 N 0.00 2.94 -0.57 4.45 0.11 -1.24 -0.34 120.40 125.76 2r69 s VAL 184 Ca -0.06 -2.47 -0.28 0.00 -2.93 0.00 0.00 61.98 56.24 2r69 s VAL 184 Cb -0.15 -3.04 0.00 0.00 -1.53 0.00 0.00 36.38 31.67 2r69 s VAL 184 CO 0.05 -0.71 1.53 -0.89 -3.33 0.00 0.00 175.10 171.75 2r69 s THR 185 N 0.67 3.66 -0.76 5.04 2.01 -1.24 -4.22 115.64 120.79 2r69 s THR 185 Ca 0.12 0.53 0.03 0.00 0.31 0.00 0.00 61.69 62.67 2r69 s THR 185 Cb -0.22 -4.31 0.29 0.00 0.01 0.00 0.00 72.50 68.28 2r69 s THR 185 CO -0.05 -1.11 1.08 0.52 -0.69 0.00 0.00 174.62 174.38 2r69 n VAL 186 N 6.94 3.63 0.00 3.82 0.31 -1.26 -4.83 118.33 126.94 2r69 n VAL 186 Ca 0.14 -5.56 0.00 0.00 -0.01 0.00 0.00 64.34 58.91 2r69 n VAL 186 Cb 0.50 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 2r69 n VAL 186 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2r69 n THR 187 N 0.55 0.30 -1.50 2.52 -1.04 -1.22 -4.44 114.28 109.45 2r69 n THR 187 Ca 0.32 0.12 -0.52 0.00 -2.04 0.00 0.00 64.05 61.93 2r69 n THR 187 Cb 0.37 -1.12 -0.07 0.00 -1.82 0.00 0.00 70.33 67.69 2r69 n THR 187 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2r69 n SER 188 N -0.93 2.22 0.00 8.00 2.88 -1.26 -3.00 113.62 121.54 2r69 n SER 188 Ca 0.00 0.59 0.00 0.00 -1.33 0.00 0.00 58.87 58.13 2r69 n SER 188 Cb 0.05 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.28 2r69 n SER 188 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2r69 n SER 189 N 8.70 0.00 -4.10 -3.46 3.41 -1.26 -4.41 113.62 112.50 2r69 n SER 189 Ca 0.38 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.63 2r69 n SER 189 Cb 0.20 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.05 2r69 n SER 189 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2r69 s THR 190 N -3.64 3.49 0.23 6.66 2.01 -1.26 -4.98 115.64 118.15 2r69 s THR 190 Ca 0.00 -2.65 -0.08 0.00 0.31 0.00 0.00 61.69 59.27 2r69 s THR 190 Cb 0.00 -3.32 0.23 0.00 0.01 0.00 0.00 72.50 69.41 2r69 s THR 190 CO 0.00 -0.80 1.66 -0.25 -0.69 0.00 0.00 174.62 174.54 2r69 h TRP 191 N 7.37 0.03 -3.65 4.92 2.91 -1.97 -3.48 115.95 122.08 2r69 h TRP 191 Ca -0.06 0.05 -0.06 0.00 1.13 0.00 0.00 58.89 59.95 2r69 h TRP 191 Cb 0.98 0.09 -0.09 0.00 -0.51 0.00 0.00 29.16 29.64 2r69 h TRP 191 CO 0.64 -0.17 -0.12 -1.25 -1.03 0.00 0.00 178.44 176.51 2r69 s PRO 192 N -6.12 1.53 0.34 2.65 0.04 -1.26 -4.60 135.00 127.58 2r69 s PRO 192 Ca -0.13 -1.23 0.08 0.00 0.04 0.00 0.00 61.00 59.75 2r69 s PRO 192 Cb 0.20 0.47 -0.04 0.00 0.04 0.00 0.00 34.50 35.18 2r69 s PRO 192 CO 0.75 -0.63 0.21 0.95 0.04 0.00 0.00 177.00 178.31 2r69 s THR 195 N -4.01 3.27 0.00 1.26 -4.23 -1.26 -5.28 115.64 105.39 2r69 s THR 195 Ca 0.22 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.18 2r69 s THR 195 Cb -0.01 -3.07 0.00 0.00 1.34 0.00 0.00 72.50 70.76 2r69 s THR 195 CO 0.08 -0.18 0.00 -0.38 -0.54 0.00 0.00 174.62 173.60 2r69 n ILE 196 N -1.25 0.00 0.00 2.99 2.08 -1.26 -5.03 119.36 116.89 2r69 n ILE 196 Ca -0.03 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.28 2r69 n ILE 196 Cb 0.61 -0.11 0.00 0.00 -0.75 0.00 0.00 39.64 39.38 2r69 n ILE 196 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 2r69 n THR 197 N 0.00 0.00 -3.50 1.39 -1.04 -1.26 -4.38 114.28 105.49 2r69 n THR 197 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.72 2r69 n THR 197 Cb 0.00 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.38 2r69 n THR 197 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2r69 s ASN 199 N 1.15 6.11 0.17 0.00 -0.87 -0.34 -3.55 114.94 117.61 2r69 s ASN 199 Ca 0.17 -0.10 0.05 0.00 -1.57 0.00 0.00 52.86 51.40 2r69 s ASN 199 Cb -0.22 -2.55 -0.04 0.00 -0.02 0.00 0.00 41.25 38.42 2r69 s ASN 199 CO -0.05 -1.81 0.17 -0.69 -2.57 0.00 0.00 177.10 172.16 2r69 s VAL 200 N 6.03 4.64 -0.08 1.60 1.01 -1.18 0.60 120.40 133.03 2r69 s VAL 200 Ca 0.44 -1.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 2r69 s VAL 200 Cb -0.09 -3.39 0.04 0.00 0.00 0.00 0.00 36.38 32.95 2r69 s VAL 200 CO 0.20 -0.13 0.13 0.00 0.00 0.00 0.00 175.10 175.30 2r69 s ALA 201 N -1.78 -0.04 -0.49 5.51 0.00 0.35 -2.18 121.76 123.13 2r69 s ALA 201 Ca 0.32 0.42 -0.02 0.00 0.00 0.00 0.00 51.96 52.68 2r69 s ALA 201 Cb -0.10 -0.79 0.13 0.00 0.00 0.00 0.00 23.12 22.36 2r69 s ALA 201 CO 0.24 -0.59 0.29 -1.58 0.00 0.00 0.00 175.76 174.13 2r69 s HIS 202 N 2.26 3.51 0.35 0.00 2.46 0.39 -0.83 115.29 123.43 2r69 s HIS 202 Ca 0.04 -2.60 0.09 0.00 0.47 0.00 0.00 55.06 53.06 2r69 s HIS 202 Cb -0.12 -3.18 0.81 0.00 -0.13 0.00 0.00 32.58 29.96 2r69 s HIS 202 CO -0.05 -0.91 1.86 -1.35 -2.47 0.00 0.00 174.74 171.81 2r69 h PRO 203 N 7.57 0.68 -0.11 2.88 0.11 -1.80 0.79 132.00 142.12 2r69 h PRO 203 Ca -0.08 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.90 2r69 h PRO 203 Cb 1.00 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.96 2r69 h PRO 203 CO 0.70 0.45 -0.27 0.00 -0.21 0.00 0.00 178.00 178.67 2r69 h ALA 204 N 1.60 0.18 -0.37 -0.75 0.00 -1.92 -3.12 119.26 114.88 2r69 h ALA 204 Ca 0.47 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2r69 h ALA 204 Cb 0.76 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2r69 h ALA 204 CO -0.22 0.18 0.00 -1.13 0.00 0.00 0.00 179.25 178.08 2r69 n SER 205 N -4.45 2.85 -2.91 0.00 3.41 -1.23 -4.93 113.62 106.36 2r69 n SER 205 Ca -0.07 -1.92 -0.06 0.00 -0.26 0.00 0.00 58.87 56.56 2r69 n SER 205 Cb 0.46 -0.24 0.01 0.00 -0.26 0.00 0.00 64.21 64.17 2r69 n SER 205 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2r69 n SER 206 N 1.08 -7.89 -3.71 4.04 2.88 -0.71 -4.91 113.62 104.40 2r69 n SER 206 Ca 0.18 0.35 -0.13 0.00 -1.33 0.00 0.00 58.87 57.95 2r69 n SER 206 Cb 0.50 -5.36 -0.13 0.00 -0.75 0.00 0.00 64.21 58.46 2r69 n SER 206 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2r69 s THR 207 N -2.72 -0.17 -0.17 2.46 2.01 0.27 -4.98 115.64 112.33 2r69 s THR 207 Ca 0.17 0.20 0.01 0.00 0.31 0.00 0.00 61.69 62.38 2r69 s THR 207 Cb -0.05 -0.39 0.02 0.00 0.01 0.00 0.00 72.50 72.09 2r69 s THR 207 CO 0.76 0.08 -0.19 -0.54 -0.69 0.00 0.00 174.62 174.04 2r69 s LYS 208 N 1.67 2.86 0.52 4.92 1.02 -1.26 0.15 119.74 129.62 2r69 s LYS 208 Ca -0.05 -0.78 0.01 0.00 0.02 0.00 0.00 55.97 55.17 2r69 s LYS 208 Cb -0.11 -2.47 -0.00 0.00 -0.52 0.00 0.00 37.83 34.72 2r69 s LYS 208 CO -0.08 -0.21 0.04 0.54 -0.92 0.00 0.00 175.35 174.72 2r69 s VAL 209 N 1.31 1.14 -0.17 3.17 0.11 -0.93 -5.02 120.40 120.02 2r69 s VAL 209 Ca 0.04 -1.95 -0.29 0.00 -2.93 0.00 0.00 61.98 56.85 2r69 s VAL 209 Cb -0.13 -2.09 0.12 0.00 -1.53 0.00 0.00 36.38 32.74 2r69 s VAL 209 CO -0.12 0.00 0.95 -0.62 -3.33 0.00 0.00 175.10 171.98 2r69 s ASP 210 N -3.93 -0.43 -0.16 3.54 -1.08 -1.26 -3.08 116.67 110.27 2r69 s ASP 210 Ca 0.06 0.56 -0.07 0.00 -0.52 0.00 0.00 52.55 52.57 2r69 s ASP 210 Cb 0.01 0.47 0.06 0.00 -1.46 0.00 0.00 42.92 42.00 2r69 s ASP 210 CO 0.03 -0.34 0.36 -0.54 0.52 0.00 0.00 175.17 175.20 2r69 s LYS 211 N -0.84 0.31 0.00 4.34 -0.14 -1.23 -4.89 119.74 117.29 2r69 s LYS 211 Ca -0.02 0.78 0.00 0.00 -1.36 0.00 0.00 55.97 55.37 2r69 s LYS 211 Cb -0.01 0.03 0.00 0.00 -1.68 0.00 0.00 37.83 36.16 2r69 s LYS 211 CO 0.01 -0.20 0.00 0.36 -0.76 0.00 0.00 175.35 174.77 2r69 n LYS 212 N 4.64 1.10 -3.76 1.68 2.85 -1.26 -1.32 118.16 122.08 2r69 n LYS 212 Ca -0.18 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 56.95 2r69 n LYS 212 Cb 0.53 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.81 2r69 n LYS 212 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2r69 s ILE 213 N 0.14 0.02 0.00 0.58 1.01 -1.26 -4.77 121.20 116.91 2r69 s ILE 213 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.51 2r69 s ILE 213 Cb 0.00 -0.50 0.00 0.00 0.01 0.00 0.00 42.46 41.97 2r69 s ILE 213 CO 0.00 -0.07 0.00 1.21 0.00 0.00 0.00 174.94 176.08