#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i82 s VAL 1 N 0.00 1.27 0.28 2.03 1.01 -1.26 0.95 120.40 124.68 1i82 s VAL 1 Ca 0.00 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 1i82 s VAL 1 Cb 0.00 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 1i82 s VAL 1 CO 0.00 0.36 0.41 0.00 0.00 0.00 0.00 175.10 175.88 1i82 s ALA 2 N -0.26 0.50 0.11 5.51 0.00 -0.17 -4.97 121.76 122.47 1i82 s ALA 2 Ca 0.04 -1.33 0.05 0.00 0.00 0.00 0.00 51.96 50.71 1i82 s ALA 2 Cb -0.07 1.17 -0.04 0.00 0.00 0.00 0.00 23.12 24.18 1i82 s ALA 2 CO -0.00 -0.78 -0.12 0.95 0.00 0.00 0.00 175.76 175.82 1i82 s THR 3 N -3.59 1.12 -0.07 0.00 -4.23 -1.26 -0.75 115.64 106.86 1i82 s THR 3 Ca 0.29 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 1i82 s THR 3 Cb 0.01 -1.47 0.02 0.00 1.34 0.00 0.00 72.50 72.40 1i82 s THR 3 CO 0.15 -0.52 -0.05 0.00 -0.54 0.00 0.00 174.62 173.66 1i82 s ALA 4 N -2.40 0.92 0.48 3.99 0.00 -0.30 -4.52 121.76 119.92 1i82 s ALA 4 Ca 0.08 -0.24 -0.19 0.00 0.00 0.00 0.00 51.96 51.61 1i82 s ALA 4 Cb -0.03 -0.64 -0.09 0.00 0.00 0.00 0.00 23.12 22.36 1i82 s ALA 4 CO 0.01 -0.20 0.99 0.15 0.00 0.00 0.00 175.76 176.71 1i82 s LYS 5 N 1.33 3.97 0.28 0.00 -0.14 -1.18 -1.09 119.74 122.92 1i82 s LYS 5 Ca -0.04 1.13 -0.29 0.00 -1.36 0.00 0.00 55.97 55.41 1i82 s LYS 5 Cb -0.14 -2.14 -0.10 0.00 -1.68 0.00 0.00 37.83 33.78 1i82 s LYS 5 CO -0.03 -0.26 1.20 -0.47 -0.76 0.00 0.00 175.35 175.04 1i82 s TYR 6 N -2.29 3.34 0.00 3.18 5.04 -0.37 -1.69 117.35 124.56 1i82 s TYR 6 Ca 0.62 1.53 0.00 0.00 -2.44 0.00 0.00 57.07 56.78 1i82 s TYR 6 Cb -0.11 -3.47 0.00 0.00 0.35 0.00 0.00 41.96 38.72 1i82 s TYR 6 CO 0.22 -1.21 0.00 0.41 -1.34 0.00 0.00 175.55 173.63 1i82 n GLY 7 N 1.23 2.00 2.72 8.97 0.00 0.97 -4.79 105.19 116.30 1i82 n GLY 7 Ca 0.00 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 1i82 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i82 s THR 8 N -2.00 1.10 0.66 2.61 2.01 -1.26 -3.77 115.64 114.99 1i82 s THR 8 Ca 0.00 -1.91 -0.09 0.00 0.31 0.00 0.00 61.69 59.99 1i82 s THR 8 Cb 0.00 -1.80 0.01 0.00 0.01 0.00 0.00 72.50 70.72 1i82 s THR 8 CO 0.00 -0.78 1.02 -2.16 -0.69 0.00 0.00 174.62 172.01 1i82 s PRO 9 N 1.05 2.86 -0.18 4.92 0.04 -1.26 -5.05 135.00 137.39 1i82 s PRO 9 Ca 0.13 0.27 -0.16 0.00 0.04 0.00 0.00 61.00 61.28 1i82 s PRO 9 Cb -0.21 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 1i82 s PRO 9 CO -0.13 -0.92 0.41 0.08 0.04 0.00 0.00 177.00 176.48 1i82 s VAL 10 N -3.22 5.21 -0.60 -0.36 1.01 -1.26 -5.02 120.40 116.15 1i82 s VAL 10 Ca 0.57 0.75 -0.28 0.00 0.00 0.00 0.00 61.98 63.02 1i82 s VAL 10 Cb -0.11 -3.74 0.03 0.00 0.00 0.00 0.00 36.38 32.56 1i82 s VAL 10 CO 0.49 0.29 1.27 -0.63 0.00 0.00 0.00 175.10 176.52 1i82 s ILE 11 N 1.03 3.90 0.00 2.22 -1.09 -1.26 -4.60 121.20 121.40 1i82 s ILE 11 Ca 0.20 0.76 0.00 0.00 -2.23 0.00 0.00 60.65 59.38 1i82 s ILE 11 Cb -0.15 -4.69 0.00 0.00 -1.58 0.00 0.00 42.46 36.05 1i82 s ILE 11 CO 0.08 -1.39 0.00 -0.90 -1.23 0.00 0.00 174.94 171.50 1i82 n ASP 12 N 8.92 0.00 0.00 3.58 5.68 -1.26 -4.83 116.55 128.64 1i82 n ASP 12 Ca 0.09 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.38 1i82 n ASP 12 Cb 0.49 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 1i82 n ASP 12 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1i82 n GLY 13 N 0.00 1.32 3.88 6.12 0.00 -1.26 -4.77 105.19 110.48 1i82 n GLY 13 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1i82 n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i82 s GLU 14 N -0.47 3.66 -0.61 1.61 0.41 -1.26 -4.67 118.70 117.36 1i82 s GLU 14 Ca 0.00 0.00 -0.24 0.00 -0.41 0.00 0.00 54.97 54.32 1i82 s GLU 14 Cb 0.00 -2.98 0.05 0.00 -1.78 0.00 0.00 34.13 29.42 1i82 s GLU 14 CO 0.00 0.56 0.99 0.42 -0.49 0.00 0.00 175.26 176.74 1i82 s ILE 15 N -1.45 4.28 0.61 -1.63 1.01 -1.26 -4.96 121.20 117.80 1i82 s ILE 15 Ca 0.34 0.11 -0.19 0.00 0.00 0.00 0.00 60.65 60.91 1i82 s ILE 15 Cb -0.13 -4.63 -0.03 0.00 0.01 0.00 0.00 42.46 37.68 1i82 s ILE 15 CO 0.20 -1.31 1.30 -1.81 0.00 0.00 0.00 174.94 173.31 1i82 s ASP 16 N 3.21 4.88 0.34 3.58 1.11 -1.26 -4.89 116.67 123.64 1i82 s ASP 16 Ca 0.29 2.62 0.03 0.00 0.18 0.00 0.00 52.55 55.67 1i82 s ASP 16 Cb -0.13 -2.62 0.64 0.00 1.07 0.00 0.00 42.92 41.88 1i82 s ASP 16 CO 0.16 -1.82 1.97 -0.08 1.18 0.00 0.00 175.17 176.58 1i82 h GLU 17 N 0.85 0.85 -0.06 8.23 4.81 -2.03 -2.36 114.58 124.86 1i82 h GLU 17 Ca -0.51 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 58.69 1i82 h GLU 17 Cb 1.32 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.51 1i82 h GLU 17 CO 0.55 0.56 0.11 0.97 -0.73 0.00 0.00 179.01 180.46 1i82 h ILE 18 N 0.87 0.29 0.00 2.32 2.10 -2.00 -1.23 117.51 119.86 1i82 h ILE 18 Ca 0.30 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 66.23 1i82 h ILE 18 Cb 0.10 0.90 -0.00 0.00 -1.09 0.00 0.00 36.82 36.73 1i82 h ILE 18 CO -0.09 0.00 -0.07 -0.50 -1.08 0.00 0.00 178.15 176.41 1i82 h TRP 19 N 0.00 0.00 0.00 2.19 4.06 -1.79 -2.15 115.95 118.26 1i82 h TRP 19 Ca 0.03 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.98 1i82 h TRP 19 Cb 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.41 1i82 h TRP 19 CO 0.00 0.07 0.00 0.09 -3.56 0.00 0.00 178.44 175.04 1i82 n ASN 20 N -3.64 0.67 -0.28 -3.49 3.02 -0.46 -2.85 115.26 108.23 1i82 n ASN 20 Ca -0.02 0.68 0.14 0.00 -0.03 0.00 0.00 54.58 55.35 1i82 n ASN 20 Cb 0.18 -0.82 0.50 0.00 -0.61 0.00 0.00 39.78 39.03 1i82 n ASN 20 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1i82 n THR 21 N -2.26 0.00 -4.39 3.41 -2.24 -0.81 -4.88 114.28 103.11 1i82 n THR 21 Ca 0.02 -0.15 -0.27 0.00 -2.27 0.00 0.00 64.05 61.38 1i82 n THR 21 Cb 0.20 0.29 -0.12 0.00 -2.10 0.00 0.00 70.33 68.60 1i82 n THR 21 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1i82 s THR 22 N -2.31 2.20 0.67 4.28 -1.32 -1.13 -4.87 115.64 113.16 1i82 s THR 22 Ca 0.31 -1.85 -0.16 0.00 -1.21 0.00 0.00 61.69 58.78 1i82 s THR 22 Cb 0.20 -1.99 0.01 0.00 -1.51 0.00 0.00 72.50 69.21 1i82 s THR 22 CO 0.44 -0.04 1.16 -1.83 -2.21 0.00 0.00 174.62 172.15 1i82 s GLU 23 N -2.33 2.61 -0.14 7.08 -1.05 -1.26 -4.91 118.70 118.69 1i82 s GLU 23 Ca 0.16 1.62 -0.06 0.00 -0.15 0.00 0.00 54.97 56.54 1i82 s GLU 23 Cb -0.09 -1.91 -0.04 0.00 -0.44 0.00 0.00 34.13 31.66 1i82 s GLU 23 CO 0.07 -1.44 0.05 -2.00 0.95 0.00 0.00 175.26 172.89 1i82 s GLU 24 N -3.84 3.61 0.25 -4.83 2.12 -1.26 -4.26 118.70 110.49 1i82 s GLU 24 Ca 0.72 -0.33 0.11 0.00 0.36 0.00 0.00 54.97 55.82 1i82 s GLU 24 Cb -0.26 -3.08 -0.05 0.00 0.26 0.00 0.00 34.13 31.01 1i82 s GLU 24 CO 0.40 0.47 -0.13 0.96 -0.54 0.00 0.00 175.26 176.43 1i82 s ILE 25 N -0.20 2.87 0.10 -3.70 -4.36 0.11 -4.91 121.20 111.11 1i82 s ILE 25 Ca 0.07 -2.08 0.10 0.00 -0.26 0.00 0.00 60.65 58.48 1i82 s ILE 25 Cb -0.12 -2.49 -0.04 0.00 1.25 0.00 0.00 42.46 41.07 1i82 s ILE 25 CO 0.01 -0.30 -0.27 -1.61 0.24 0.00 0.00 174.94 173.01 1i82 s GLU 26 N -3.33 1.55 -0.59 0.37 0.41 -1.26 -0.28 118.70 115.57 1i82 s GLU 26 Ca 0.28 -1.26 -0.22 0.00 -0.41 0.00 0.00 54.97 53.37 1i82 s GLU 26 Cb -0.06 -1.93 0.06 0.00 -1.78 0.00 0.00 34.13 30.42 1i82 s GLU 26 CO 0.16 0.47 0.87 0.95 -0.49 0.00 0.00 175.26 177.22 1i82 s THR 27 N -0.96 4.49 0.00 3.63 -4.23 -1.10 -4.57 115.64 112.90 1i82 s THR 27 Ca 0.13 -0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.39 1i82 s THR 27 Cb -0.10 -4.55 0.00 0.00 1.34 0.00 0.00 72.50 69.19 1i82 s THR 27 CO 0.04 -1.21 0.63 0.29 -0.54 0.00 0.00 174.62 173.83 1i82 n LYS 28 N 7.23 0.84 -2.88 3.99 5.02 -0.76 -4.65 118.16 126.95 1i82 n LYS 28 Ca -0.03 -0.82 -0.43 0.00 -2.02 0.00 0.00 58.31 55.01 1i82 n LYS 28 Cb 0.46 -0.85 -0.04 0.00 -0.02 0.00 0.00 35.03 34.58 1i82 n LYS 28 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i82 s ALA 29 N -0.39 3.17 -0.07 7.82 0.00 0.21 -4.95 121.76 127.55 1i82 s ALA 29 Ca 0.00 -2.01 -0.24 0.00 0.00 0.00 0.00 51.96 49.72 1i82 s ALA 29 Cb 0.00 -3.87 -0.03 0.00 0.00 0.00 0.00 23.12 19.22 1i82 s ALA 29 CO 0.00 -2.78 0.73 0.08 0.00 0.00 0.00 175.76 173.78 1i82 s VAL 30 N 3.79 5.02 -0.11 0.00 1.01 -1.26 -1.05 120.40 127.79 1i82 s VAL 30 Ca 0.23 1.49 0.06 0.00 0.00 0.00 0.00 61.98 63.76 1i82 s VAL 30 Cb -0.16 -4.06 -0.11 0.00 0.00 0.00 0.00 36.38 32.05 1i82 s VAL 30 CO 0.07 0.22 -0.02 0.00 0.00 0.00 0.00 175.10 175.38 1i82 n ALA 31 N 3.94 1.74 -3.43 5.51 0.00 -0.03 -4.58 120.51 123.66 1i82 n ALA 31 Ca -0.00 -0.63 -0.13 0.00 0.00 0.00 0.00 53.44 52.68 1i82 n ALA 31 Cb 0.51 0.09 -0.09 0.00 0.00 0.00 0.00 19.45 19.96 1i82 n ALA 31 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1i82 s MET 32 N -2.25 0.58 1.04 0.00 -2.45 -0.86 -4.92 119.30 110.44 1i82 s MET 32 Ca -0.09 0.72 0.00 0.00 -1.25 0.00 0.00 55.69 55.07 1i82 s MET 32 Cb 0.04 0.26 0.00 0.00 1.25 0.00 0.00 34.83 36.38 1i82 s MET 32 CO 0.37 -0.08 0.00 0.41 1.05 0.00 0.00 175.02 176.78 1i82 n GLY 33 N 2.94 -1.72 3.10 2.11 0.00 -1.21 -0.60 105.19 109.80 1i82 n GLY 33 Ca -0.14 -1.62 -0.08 0.00 0.00 0.00 0.00 46.02 44.17 1i82 n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1i82 s SER 34 N -4.00 0.33 0.33 1.61 1.04 -1.26 -4.98 113.70 106.77 1i82 s SER 34 Ca 0.00 -0.78 0.03 0.00 0.48 0.00 0.00 55.95 55.68 1i82 s SER 34 Cb 0.00 0.21 0.58 0.00 0.10 0.00 0.00 66.02 66.91 1i82 s SER 34 CO 0.00 -0.56 1.90 -0.07 0.98 0.00 0.00 173.24 175.49 1i82 h LEU 35 N 3.41 0.60 0.00 2.42 3.38 -1.95 0.92 115.31 124.10 1i82 h LEU 35 Ca -0.33 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1i82 h LEU 35 Cb 1.17 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1i82 h LEU 35 CO 0.58 0.59 -0.32 -2.24 0.09 0.00 0.00 178.44 177.14 1i82 h ASP 36 N 0.64 0.00 0.00 -0.43 2.03 -2.00 -3.37 116.42 113.29 1i82 h ASP 36 Ca 0.15 -0.10 0.00 0.00 -0.73 0.00 0.00 57.03 56.35 1i82 h ASP 36 Cb 0.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.72 1i82 h ASP 36 CO -0.01 0.05 -1.13 0.29 -1.03 0.00 0.00 179.24 177.41 1i82 n LYS 37 N -2.25 1.04 -4.59 4.15 4.01 -1.08 -5.06 118.16 114.38 1i82 n LYS 37 Ca 0.04 -0.05 -0.27 0.00 -0.51 0.00 0.00 58.31 57.52 1i82 n LYS 37 Cb 0.44 -1.10 -0.11 0.00 -0.51 0.00 0.00 35.03 33.75 1i82 n LYS 37 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 1i82 s ASN 38 N -2.58 3.64 0.23 4.39 -0.87 0.30 -4.92 114.94 115.13 1i82 s ASN 38 Ca -0.02 -1.37 -0.31 0.00 -1.57 0.00 0.00 52.86 49.59 1i82 s ASN 38 Cb 0.04 -0.35 -0.12 0.00 -0.02 0.00 0.00 41.25 40.81 1i82 s ASN 38 CO 0.28 -0.47 1.70 0.00 -2.57 0.00 0.00 177.10 176.04 1i82 s ALA 39 N -2.80 3.90 0.13 0.60 0.00 -1.26 -4.76 121.76 117.57 1i82 s ALA 39 Ca 0.35 1.59 -0.01 0.00 0.00 0.00 0.00 51.96 53.89 1i82 s ALA 39 Cb 0.10 -3.69 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 1i82 s ALA 39 CO 0.18 -0.95 0.06 0.95 0.00 0.00 0.00 175.76 176.00 1i82 s THR 40 N 0.89 0.11 0.05 0.00 -4.23 -1.16 -4.70 115.64 106.60 1i82 s THR 40 Ca 0.72 -1.88 0.02 0.00 -1.18 0.00 0.00 61.69 59.37 1i82 s THR 40 Cb -0.49 -2.00 -0.03 0.00 1.34 0.00 0.00 72.50 71.32 1i82 s THR 40 CO 0.36 -0.49 -0.07 0.00 -0.54 0.00 0.00 174.62 173.88 1i82 s ALA 41 N -4.04 0.58 -0.24 3.99 0.00 -1.26 -0.85 121.76 119.95 1i82 s ALA 41 Ca 0.23 -0.83 -0.09 0.00 0.00 0.00 0.00 51.96 51.27 1i82 s ALA 41 Cb 0.07 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 1i82 s ALA 41 CO 0.01 -0.06 0.12 0.15 0.00 0.00 0.00 175.76 175.98 1i82 s LYS 42 N -1.86 3.91 -0.02 0.00 1.02 -0.36 -2.69 119.74 119.73 1i82 s LYS 42 Ca -0.08 -0.35 0.07 0.00 0.02 0.00 0.00 55.97 55.62 1i82 s LYS 42 Cb -0.08 -3.43 -0.02 0.00 -0.52 0.00 0.00 37.83 33.78 1i82 s LYS 42 CO -0.00 -0.01 -0.22 0.08 -0.92 0.00 0.00 175.35 174.27 1i82 s VAL 43 N 1.21 1.78 0.00 3.17 1.01 0.61 -0.97 120.40 127.21 1i82 s VAL 43 Ca 0.06 -0.95 0.07 0.00 0.00 0.00 0.00 61.98 61.16 1i82 s VAL 43 Cb -0.14 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 1i82 s VAL 43 CO 0.05 0.50 -0.22 -0.13 0.00 0.00 0.00 175.10 175.30 1i82 s ARG 44 N -0.45 1.68 -0.03 2.72 1.81 -0.29 0.06 118.95 124.45 1i82 s ARG 44 Ca 0.06 -0.83 0.03 0.00 -1.72 0.00 0.00 55.73 53.27 1i82 s ARG 44 Cb -0.09 -1.68 0.00 0.00 -0.45 0.00 0.00 34.95 32.73 1i82 s ARG 44 CO -0.00 0.45 -0.12 0.08 -0.68 0.00 0.00 175.30 175.03 1i82 s VAL 45 N -0.59 0.99 0.28 3.52 1.01 -1.26 -0.96 120.40 123.39 1i82 s VAL 45 Ca 0.08 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.62 1i82 s VAL 45 Cb -0.09 -0.87 -0.06 0.00 0.00 0.00 0.00 36.38 35.37 1i82 s VAL 45 CO -0.00 0.30 0.06 -0.76 0.00 0.00 0.00 175.10 174.69 1i82 s LEU 46 N 0.12 2.01 0.13 3.92 1.43 -0.16 -3.08 118.68 123.05 1i82 s LEU 46 Ca -0.03 -1.35 -0.22 0.00 -1.03 0.00 0.00 54.13 51.51 1i82 s LEU 46 Cb -0.09 -0.23 0.06 0.00 0.03 0.00 0.00 46.19 45.96 1i82 s LEU 46 CO 0.01 -0.62 0.55 -1.66 0.23 0.00 0.00 176.35 174.86 1i82 s TRP 47 N -3.47 -0.46 0.27 0.29 1.48 -0.68 0.34 118.94 116.72 1i82 s TRP 47 Ca 0.35 0.28 -0.00 0.00 -1.06 0.00 0.00 56.10 55.68 1i82 s TRP 47 Cb 0.08 0.47 0.00 0.00 -1.16 0.00 0.00 33.47 32.86 1i82 s TRP 47 CO 0.14 -0.79 0.36 -0.40 -4.06 0.00 0.00 176.95 172.19 1i82 n ASP 48 N -0.22 -0.98 0.26 -2.66 5.68 -0.67 -0.02 116.55 117.95 1i82 n ASP 48 Ca -0.17 -2.54 0.17 0.00 -0.50 0.00 0.00 54.79 51.75 1i82 n ASP 48 Cb 0.64 1.89 0.90 0.00 -1.14 0.00 0.00 41.12 43.40 1i82 n ASP 48 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1i82 h GLU 49 N 0.00 0.00 0.00 0.11 3.07 -1.96 -3.21 114.58 112.59 1i82 h GLU 49 Ca -0.21 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.51 1i82 h GLU 49 Cb 0.94 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.82 1i82 h GLU 49 CO 0.29 0.00 -1.80 0.09 -1.40 0.00 0.00 179.01 176.18 1i82 n ASN 50 N -3.75 1.73 -4.10 1.42 3.02 -1.26 -4.47 115.26 107.85 1i82 n ASN 50 Ca -0.01 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.44 1i82 n ASN 50 Cb 0.19 1.17 -0.09 0.00 -0.61 0.00 0.00 39.78 40.44 1i82 n ASN 50 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1i82 s TYR 51 N -2.60 0.75 -0.10 3.10 1.51 -1.21 -1.32 117.35 117.48 1i82 s TYR 51 Ca -0.06 -1.12 -0.01 0.00 -1.01 0.00 0.00 57.07 54.87 1i82 s TYR 51 Cb 0.06 -0.38 -0.03 0.00 -0.11 0.00 0.00 41.96 41.51 1i82 s TYR 51 CO 0.56 -0.57 -0.07 -1.17 -1.11 0.00 0.00 175.55 173.20 1i82 s LEU 52 N -3.03 3.14 -0.07 -1.29 2.96 0.03 -1.66 118.68 118.76 1i82 s LEU 52 Ca 0.23 -0.09 0.03 0.00 -0.22 0.00 0.00 54.13 54.07 1i82 s LEU 52 Cb 0.06 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 45.02 1i82 s LEU 52 CO 0.01 0.27 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.85 1i82 s TYR 53 N -0.28 2.68 -0.07 5.38 1.51 0.15 -0.71 117.35 126.02 1i82 s TYR 53 Ca 0.04 -0.35 0.02 0.00 -1.01 0.00 0.00 57.07 55.77 1i82 s TYR 53 Cb -0.13 -1.67 0.02 0.00 -0.11 0.00 0.00 41.96 40.07 1i82 s TYR 53 CO 0.02 0.04 -0.10 0.08 -1.11 0.00 0.00 175.55 174.48 1i82 s VAL 54 N -0.41 1.01 -0.24 0.71 1.01 -0.19 -0.99 120.40 121.31 1i82 s VAL 54 Ca 0.05 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 1i82 s VAL 54 Cb -0.12 -0.95 0.02 0.00 0.00 0.00 0.00 36.38 35.32 1i82 s VAL 54 CO 0.02 0.33 -0.07 -0.22 0.00 0.00 0.00 175.10 175.17 1i82 s LEU 55 N 0.82 3.03 -0.19 3.92 2.96 -0.14 -0.65 118.68 128.43 1i82 s LEU 55 Ca -0.12 -0.73 0.01 0.00 -0.22 0.00 0.00 54.13 53.07 1i82 s LEU 55 Cb -0.15 -1.67 0.03 0.00 0.50 0.00 0.00 46.19 44.90 1i82 s LEU 55 CO 0.02 -0.09 -0.14 0.00 -1.32 0.00 0.00 176.35 174.82 1i82 s ALA 56 N 1.36 2.08 -0.42 5.97 0.00 0.66 -1.14 121.76 130.28 1i82 s ALA 56 Ca 0.02 -1.17 -0.16 0.00 0.00 0.00 0.00 51.96 50.65 1i82 s ALA 56 Cb -0.16 -1.22 0.02 0.00 0.00 0.00 0.00 23.12 21.77 1i82 s ALA 56 CO -0.05 -0.62 0.37 0.42 0.00 0.00 0.00 175.76 175.89 1i82 s ILE 57 N 1.37 5.17 -0.18 0.00 1.01 -0.14 -0.46 121.20 127.97 1i82 s ILE 57 Ca 0.01 -0.54 -0.12 0.00 0.00 0.00 0.00 60.65 60.01 1i82 s ILE 57 Cb -0.15 -4.00 -0.05 0.00 0.01 0.00 0.00 42.46 38.27 1i82 s ILE 57 CO -0.10 -0.39 0.20 -0.69 0.00 0.00 0.00 174.94 173.96 1i82 s VAL 58 N 1.91 5.37 -0.31 2.92 1.01 0.38 -1.23 120.40 130.45 1i82 s VAL 58 Ca 0.08 0.34 -0.17 0.00 0.00 0.00 0.00 61.98 62.23 1i82 s VAL 58 Cb -0.18 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1i82 s VAL 58 CO 0.11 0.42 0.48 -0.75 0.00 0.00 0.00 175.10 175.37 1i82 s LYS 59 N 0.41 3.82 -0.29 2.72 2.20 -0.03 -1.78 119.74 126.79 1i82 s LYS 59 Ca 0.12 0.00 -0.01 0.00 -0.36 0.00 0.00 55.97 55.72 1i82 s LYS 59 Cb -0.12 -3.74 0.19 0.00 -1.51 0.00 0.00 37.83 32.66 1i82 s LYS 59 CO 0.00 -0.49 0.75 0.34 -0.36 0.00 0.00 175.35 175.59 1i82 s ASP 60 N 1.68 -1.19 0.39 1.43 -1.08 0.56 -3.01 116.67 115.44 1i82 s ASP 60 Ca 0.18 0.26 0.28 0.00 -0.52 0.00 0.00 52.55 52.75 1i82 s ASP 60 Cb -0.16 1.80 1.08 0.00 -1.46 0.00 0.00 42.92 44.19 1i82 s ASP 60 CO 0.11 -0.22 1.82 1.55 0.52 0.00 0.00 175.17 178.96 1i82 h PRO 61 N 7.81 0.00 -4.02 4.34 0.13 -1.95 -3.25 132.00 135.06 1i82 h PRO 61 Ca -0.07 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.50 1i82 h PRO 61 Cb 1.18 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.93 1i82 h PRO 61 CO 0.08 0.00 -0.78 0.08 -0.23 0.00 0.00 178.00 177.15 1i82 s VAL 62 N -3.43 1.02 -0.17 1.56 1.01 -1.26 -4.98 120.40 114.15 1i82 s VAL 62 Ca 0.04 -0.73 -0.12 0.00 0.00 0.00 0.00 61.98 61.17 1i82 s VAL 62 Cb 0.09 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 35.11 1i82 s VAL 62 CO 0.49 -0.02 0.23 -0.76 0.00 0.00 0.00 175.10 175.04 1i82 s LEU 63 N 1.65 4.25 -0.08 3.92 1.43 -1.26 -4.81 118.68 123.77 1i82 s LEU 63 Ca -0.01 0.42 -0.14 0.00 -1.03 0.00 0.00 54.13 53.36 1i82 s LEU 63 Cb -0.17 -2.25 0.03 0.00 0.03 0.00 0.00 46.19 43.83 1i82 s LEU 63 CO -0.07 0.16 0.36 0.21 0.23 0.00 0.00 176.35 177.23 1i82 s ASN 64 N 0.27 -0.32 -0.05 2.29 2.47 -1.26 -4.94 114.94 113.39 1i82 s ASN 64 Ca 0.13 0.47 0.20 0.00 0.42 0.00 0.00 52.86 54.08 1i82 s ASN 64 Cb -0.12 0.57 0.35 0.00 -1.45 0.00 0.00 41.25 40.60 1i82 s ASN 64 CO 0.02 -0.28 1.15 2.29 -3.72 0.00 0.00 177.10 176.56 1i82 n LYS 65 N 2.14 0.32 0.18 0.43 2.85 -1.26 -1.46 118.16 121.36 1i82 n LYS 65 Ca -0.17 -1.98 0.05 0.00 -1.05 0.00 0.00 58.31 55.16 1i82 n LYS 65 Cb 0.57 -0.11 0.31 0.00 -0.65 0.00 0.00 35.03 35.15 1i82 n LYS 65 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 1i82 h ASP 66 N 1.03 0.00 -3.50 -5.58 3.32 -1.89 -3.45 116.42 106.36 1i82 h ASP 66 Ca -0.30 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.23 1i82 h ASP 66 Cb 1.68 0.00 0.05 0.00 0.22 0.00 0.00 39.33 41.28 1i82 h ASP 66 CO 0.02 0.40 0.69 0.21 -1.72 0.00 0.00 179.24 178.84 1i82 s ASN 67 N -6.47 6.77 0.48 6.45 3.84 -1.26 -4.89 114.94 119.86 1i82 s ASN 67 Ca 0.00 2.58 0.32 0.00 0.21 0.00 0.00 52.86 55.97 1i82 s ASN 67 Cb 0.11 -2.62 1.38 0.00 -0.55 0.00 0.00 41.25 39.56 1i82 s ASN 67 CO 0.69 -0.60 1.94 0.77 -2.79 0.00 0.00 177.10 177.12 1i82 h SER 68 N 4.75 0.00 -3.33 -4.21 4.64 -1.92 -3.41 113.55 110.07 1i82 h SER 68 Ca -0.46 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.26 1i82 h SER 68 Cb 1.22 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.22 1i82 h SER 68 CO 0.75 0.00 0.52 0.20 -0.87 0.00 0.00 176.83 177.43 1i82 s ASN 69 N -5.18 6.80 0.48 4.97 0.01 -1.26 -4.94 114.94 115.82 1i82 s ASN 69 Ca 0.01 0.92 0.18 0.00 -0.71 0.00 0.00 52.86 53.26 1i82 s ASN 69 Cb 0.09 -2.45 1.18 0.00 0.41 0.00 0.00 41.25 40.49 1i82 s ASN 69 CO 0.47 -0.61 2.02 1.55 -1.51 0.00 0.00 177.10 179.01 1i82 h PRO 70 N 7.88 0.21 0.00 -0.60 0.13 -1.97 0.54 132.00 138.19 1i82 h PRO 70 Ca -0.23 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1i82 h PRO 70 Cb 1.09 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1i82 h PRO 70 CO 0.91 0.14 0.00 -2.67 -0.23 0.00 0.00 178.00 176.14 1i82 n TRP 71 N -4.45 0.00 -0.99 1.56 2.14 -1.26 -2.60 117.44 111.84 1i82 n TRP 71 Ca 0.07 0.00 0.08 0.00 2.07 0.00 0.00 57.50 59.72 1i82 n TRP 71 Cb 0.39 -0.30 0.28 0.00 -0.81 0.00 0.00 31.31 30.87 1i82 n TRP 71 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 1i82 n GLU 72 N -1.30 3.22 -4.35 -2.67 1.02 0.18 -4.86 120.64 111.88 1i82 n GLU 72 Ca 0.11 -2.91 -0.30 0.00 -0.02 0.00 0.00 57.16 54.04 1i82 n GLU 72 Cb 0.20 -1.92 -0.11 0.00 -0.02 0.00 0.00 31.44 29.59 1i82 n GLU 72 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1i82 s GLN 73 N -2.84 2.02 -0.24 3.49 -0.21 -1.07 -4.36 119.66 116.44 1i82 s GLN 73 Ca 0.44 -1.05 -0.34 0.00 0.02 0.00 0.00 55.36 54.43 1i82 s GLN 73 Cb 0.36 -2.23 -0.10 0.00 1.00 0.00 0.00 33.01 32.04 1i82 s GLN 73 CO 0.10 0.51 2.09 -0.25 -2.12 0.00 0.00 175.29 175.62 1i82 n ASP 74 N 0.94 2.77 -3.69 5.90 8.00 -0.54 -4.71 116.55 125.23 1i82 n ASP 74 Ca -0.15 0.55 -0.08 0.00 0.71 0.00 0.00 54.79 55.83 1i82 n ASP 74 Cb 0.52 -1.35 -0.01 0.00 -0.02 0.00 0.00 41.12 40.26 1i82 n ASP 74 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1i82 s SER 75 N 6.46 -0.19 -0.07 -2.24 1.04 -0.95 -2.73 113.70 115.03 1i82 s SER 75 Ca 1.02 -0.74 0.06 0.00 0.48 0.00 0.00 55.95 56.77 1i82 s SER 75 Cb -0.71 0.74 -0.01 0.00 0.10 0.00 0.00 66.02 66.15 1i82 s SER 75 CO 0.48 -1.40 -0.25 -0.69 0.98 0.00 0.00 173.24 172.36 1i82 s VAL 76 N -3.62 2.08 -0.04 5.02 1.01 -0.47 -0.72 120.40 123.67 1i82 s VAL 76 Ca 0.13 -1.05 0.06 0.00 0.00 0.00 0.00 61.98 61.11 1i82 s VAL 76 Cb -0.05 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 1i82 s VAL 76 CO 0.08 0.57 -0.20 -1.61 0.00 0.00 0.00 175.10 173.94 1i82 s GLU 77 N -0.08 2.32 -0.09 2.72 2.02 0.75 -1.86 118.70 124.49 1i82 s GLU 77 Ca -0.06 -0.80 0.04 0.00 0.02 0.00 0.00 54.97 54.16 1i82 s GLU 77 Cb -0.14 -2.23 0.00 0.00 0.10 0.00 0.00 34.13 31.86 1i82 s GLU 77 CO 0.05 0.59 -0.20 0.42 0.02 0.00 0.00 175.26 176.14 1i82 s ILE 78 N -0.68 1.76 -0.08 -1.63 1.01 0.35 -0.56 121.20 121.37 1i82 s ILE 78 Ca 0.11 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 59.94 1i82 s ILE 78 Cb -0.10 -1.54 -0.02 0.00 0.01 0.00 0.00 42.46 40.81 1i82 s ILE 78 CO -0.00 0.49 -0.18 -0.36 0.00 0.00 0.00 174.94 174.90 1i82 s PHE 79 N 0.41 2.65 -0.02 3.97 0.40 0.54 -0.87 117.98 125.06 1i82 s PHE 79 Ca -0.17 -0.53 0.03 0.00 -0.60 0.00 0.00 56.93 55.67 1i82 s PHE 79 Cb -0.17 -1.70 -0.00 0.00 0.51 0.00 0.00 43.02 41.66 1i82 s PHE 79 CO 0.07 -0.09 -0.10 0.42 0.70 0.00 0.00 175.22 176.21 1i82 s ILE 80 N -0.15 0.87 -0.40 0.64 -1.09 -0.61 -2.08 121.20 118.38 1i82 s ILE 80 Ca -0.02 -0.43 0.02 0.00 -2.23 0.00 0.00 60.65 57.98 1i82 s ILE 80 Cb -0.14 -0.75 0.12 0.00 -1.58 0.00 0.00 42.46 40.12 1i82 s ILE 80 CO 0.04 0.26 0.18 -0.62 -1.23 0.00 0.00 174.94 173.57 1i82 s ASP 81 N -0.02 3.88 0.24 3.58 -1.08 0.15 -1.48 116.67 121.93 1i82 s ASP 81 Ca 0.00 -2.33 -0.07 0.00 -0.52 0.00 0.00 52.55 49.63 1i82 s ASP 81 Cb -0.07 -1.06 0.26 0.00 -1.46 0.00 0.00 42.92 40.58 1i82 s ASP 81 CO 0.00 -0.32 1.90 -0.33 0.52 0.00 0.00 175.17 176.94 1i82 h GLU 82 N 7.17 1.14 -0.02 4.34 5.08 -1.82 0.27 114.58 130.73 1i82 h GLU 82 Ca -0.05 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1i82 h GLU 82 Cb 0.96 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1i82 h GLU 82 CO 0.49 0.75 -0.01 0.27 -1.00 0.00 0.00 179.01 179.52 1i82 n ASN 83 N -4.49 2.08 -4.10 1.42 0.23 -1.26 -4.69 115.26 104.46 1i82 n ASN 83 Ca 0.11 -1.69 -0.33 0.00 -0.53 0.00 0.00 54.58 52.14 1i82 n ASN 83 Cb 0.06 0.01 -0.01 0.00 -2.08 0.00 0.00 39.78 37.76 1i82 n ASN 83 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1i82 n ASN 84 N 0.62 -3.52 0.21 0.53 5.15 -0.98 -4.85 115.26 112.42 1i82 n ASN 84 Ca 0.17 -0.93 0.15 0.00 -0.60 0.00 0.00 54.58 53.36 1i82 n ASN 84 Cb 0.45 -3.17 0.57 0.00 -0.53 0.00 0.00 39.78 37.11 1i82 n ASN 84 CO 0.00 0.00 0.00 0.45 1.40 0.00 0.00 177.26 179.11 1i82 h HIS 85 N -1.73 0.00 -6.09 1.20 3.86 -1.93 -3.47 115.15 107.00 1i82 h HIS 85 Ca -0.59 0.00 -0.43 0.00 -1.16 0.00 0.00 60.37 58.19 1i82 h HIS 85 Cb 1.38 0.00 0.04 0.00 1.06 0.00 0.00 27.41 29.89 1i82 h HIS 85 CO 0.60 0.00 -0.77 1.63 0.86 0.00 0.00 177.93 180.25 1i82 n LYS 86 N -2.75 -5.88 -1.36 2.45 4.76 -1.26 -4.96 118.16 109.16 1i82 n LYS 86 Ca 0.02 0.67 -0.30 0.00 -2.87 0.00 0.00 58.31 55.83 1i82 n LYS 86 Cb 0.30 -5.50 0.12 0.00 -1.84 0.00 0.00 35.03 28.12 1i82 n LYS 86 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1i82 s THR 87 N -3.43 2.70 -2.38 -0.18 -4.23 -1.26 -4.15 115.64 102.70 1i82 s THR 87 Ca 0.37 0.23 0.23 0.00 -1.18 0.00 0.00 61.69 61.34 1i82 s THR 87 Cb -0.18 -2.83 0.48 0.00 1.34 0.00 0.00 72.50 71.31 1i82 s THR 87 CO 0.80 -0.30 1.60 0.61 -0.54 0.00 0.00 174.62 176.79 1i82 n GLY 88 N -1.58 0.28 3.39 3.99 0.00 -1.26 -1.01 105.19 109.00 1i82 n GLY 88 Ca 0.07 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 1i82 n GLY 88 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1i82 s TYR 89 N -1.85 0.27 0.01 1.61 -0.85 -1.24 -4.37 117.35 110.92 1i82 s TYR 89 Ca 0.34 -0.63 -0.30 0.00 -0.52 0.00 0.00 57.07 55.97 1i82 s TYR 89 Cb 0.19 0.06 -0.04 0.00 0.38 0.00 0.00 41.96 42.55 1i82 s TYR 89 CO 0.29 -0.77 1.10 0.71 -1.52 0.00 0.00 175.55 175.36 1i82 s TYR 90 N -3.94 3.50 0.70 -3.49 1.51 -1.25 -4.59 117.35 109.79 1i82 s TYR 90 Ca 0.15 1.47 0.02 0.00 -1.01 0.00 0.00 57.07 57.70 1i82 s TYR 90 Cb 0.02 -3.29 0.13 0.00 -0.11 0.00 0.00 41.96 38.72 1i82 s TYR 90 CO -0.01 -0.71 0.97 0.39 -1.11 0.00 0.00 175.55 175.08 1i82 n GLU 91 N 4.13 0.06 0.20 -0.62 1.02 -1.26 -4.96 120.64 119.22 1i82 n GLU 91 Ca 0.08 -2.89 0.07 0.00 -0.02 0.00 0.00 57.16 54.40 1i82 n GLU 91 Cb 0.48 -0.57 0.59 0.00 -0.02 0.00 0.00 31.44 31.92 1i82 n GLU 91 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1i82 h ASP 92 N -0.42 0.10 0.83 1.62 3.32 -2.03 -2.45 116.42 117.39 1i82 h ASP 92 Ca -0.32 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1i82 h ASP 92 Cb 1.26 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1i82 h ASP 92 CO 0.37 0.08 -0.35 -0.90 -1.72 0.00 0.00 179.24 176.73 1i82 n ASP 93 N -4.52 0.46 -4.81 6.45 5.68 -1.26 -4.91 116.55 113.64 1i82 n ASP 93 Ca -0.02 0.13 -0.35 0.00 -0.50 0.00 0.00 54.79 54.06 1i82 n ASP 93 Cb 0.09 -0.09 -0.06 0.00 -1.14 0.00 0.00 41.12 39.92 1i82 n ASP 93 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1i82 s ASP 94 N -3.48 7.05 -0.06 -1.12 1.01 -0.92 -4.02 116.67 115.13 1i82 s ASP 94 Ca 0.11 1.60 -0.26 0.00 0.71 0.00 0.00 52.55 54.70 1i82 s ASP 94 Cb 0.16 -2.49 0.06 0.00 1.01 0.00 0.00 42.92 41.66 1i82 s ASP 94 CO 0.65 -0.16 0.58 0.00 0.21 0.00 0.00 175.17 176.45 1i82 s ALA 95 N -1.83 -1.49 -0.15 5.23 0.00 -0.55 -4.03 121.76 118.93 1i82 s ALA 95 Ca 0.53 1.10 0.02 0.00 0.00 0.00 0.00 51.96 53.61 1i82 s ALA 95 Cb -0.14 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 22.93 1i82 s ALA 95 CO 0.19 -0.33 -0.20 -1.14 0.00 0.00 0.00 175.76 174.27 1i82 s GLN 96 N -1.10 2.86 0.09 0.00 0.74 -0.56 -1.57 119.66 120.13 1i82 s GLN 96 Ca -0.11 -0.79 0.09 0.00 0.05 0.00 0.00 55.36 54.60 1i82 s GLN 96 Cb -0.02 -2.37 -0.04 0.00 1.10 0.00 0.00 33.01 31.68 1i82 s GLN 96 CO 0.08 -0.08 -0.20 -0.06 -0.55 0.00 0.00 175.29 174.48 1i82 s PHE 97 N 0.99 2.50 -0.01 1.67 0.40 -0.05 -1.43 117.98 122.05 1i82 s PHE 97 Ca -0.03 -0.28 -0.02 0.00 -0.60 0.00 0.00 56.93 55.99 1i82 s PHE 97 Cb -0.15 -1.37 -0.00 0.00 0.51 0.00 0.00 43.02 42.01 1i82 s PHE 97 CO -0.05 0.32 0.05 0.50 0.70 0.00 0.00 175.22 176.74 1i82 s ARG 98 N -1.87 0.16 -0.12 0.44 3.52 -0.79 -0.50 118.95 119.80 1i82 s ARG 98 Ca 0.16 -0.12 -0.08 0.00 -0.13 0.00 0.00 55.73 55.57 1i82 s ARG 98 Cb -0.10 0.07 0.04 0.00 -1.56 0.00 0.00 34.95 33.40 1i82 s ARG 98 CO 0.08 -0.03 0.30 0.54 -0.81 0.00 0.00 175.30 175.38 1i82 s VAL 99 N -0.44 -0.02 0.62 7.11 0.11 -0.78 -0.99 120.40 126.02 1i82 s VAL 99 Ca -0.05 0.08 0.02 0.00 -2.93 0.00 0.00 61.98 59.10 1i82 s VAL 99 Cb -0.03 -0.45 0.12 0.00 -1.53 0.00 0.00 36.38 34.49 1i82 s VAL 99 CO 0.00 0.03 0.86 -0.46 -3.33 0.00 0.00 175.10 172.20 1i82 n ASN 100 N 3.78 1.38 0.00 3.54 0.23 -0.65 -1.37 115.26 122.17 1i82 n ASN 100 Ca -0.21 -2.11 0.04 0.00 -0.53 0.00 0.00 54.58 51.77 1i82 n ASN 100 Cb 0.55 -0.53 0.18 0.00 -2.08 0.00 0.00 39.78 37.90 1i82 n ASN 100 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1i82 n TYR 101 N -2.57 0.00 -0.41 -2.53 0.18 -1.10 -0.94 117.16 109.78 1i82 n TYR 101 Ca 0.15 0.00 0.10 0.00 1.88 0.00 0.00 57.90 60.03 1i82 n TYR 101 Cb 0.53 -0.41 0.30 0.00 -0.38 0.00 0.00 39.34 39.38 1i82 n TYR 101 CO 0.00 0.00 0.00 -1.33 -2.08 0.00 0.00 176.86 173.45 1i82 n MET 102 N -1.41 3.01 -2.64 -3.48 2.81 -1.26 -4.88 117.12 109.27 1i82 n MET 102 Ca 0.03 -2.61 -0.20 0.00 -1.81 0.00 0.00 57.70 53.11 1i82 n MET 102 Cb 0.08 -1.60 0.01 0.00 -0.71 0.00 0.00 33.22 31.00 1i82 n MET 102 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1i82 n ASN 103 N 1.23 -5.70 -4.68 7.83 5.15 -0.11 -4.98 115.26 114.01 1i82 n ASN 103 Ca 0.22 -0.13 -0.37 0.00 -0.60 0.00 0.00 54.58 53.70 1i82 n ASN 103 Cb 0.66 -4.64 -0.08 0.00 -0.53 0.00 0.00 39.78 35.19 1i82 n ASN 103 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1i82 s GLU 104 N -5.26 4.16 -0.06 1.20 2.02 -1.26 -4.87 118.70 114.64 1i82 s GLU 104 Ca 0.13 0.06 -0.09 0.00 0.02 0.00 0.00 54.97 55.08 1i82 s GLU 104 Cb -0.06 -3.52 -0.05 0.00 0.10 0.00 0.00 34.13 30.61 1i82 s GLU 104 CO 0.16 0.04 0.25 -0.65 0.02 0.00 0.00 175.26 175.07 1i82 s GLN 105 N 1.10 3.61 0.17 1.61 -0.21 -1.26 -1.63 119.66 123.05 1i82 s GLN 105 Ca 0.15 0.05 0.02 0.00 0.02 0.00 0.00 55.36 55.60 1i82 s GLN 105 Cb -0.14 -3.18 -0.05 0.00 1.00 0.00 0.00 33.01 30.65 1i82 s GLN 105 CO 0.06 0.73 -0.00 0.95 -2.12 0.00 0.00 175.29 174.91 1i82 s THR 106 N -1.10 0.69 0.02 -0.19 -4.23 -0.16 -4.99 115.64 105.67 1i82 s THR 106 Ca 0.20 -1.98 0.02 0.00 -1.18 0.00 0.00 61.69 58.75 1i82 s THR 106 Cb -0.14 -2.09 -0.01 0.00 1.34 0.00 0.00 72.50 71.60 1i82 s THR 106 CO 0.09 -0.50 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.25 1i82 s PHE 107 N -3.65 0.53 0.00 3.99 0.40 -1.26 -1.88 117.98 116.10 1i82 s PHE 107 Ca 0.23 -0.28 0.00 0.00 -0.60 0.00 0.00 56.93 56.28 1i82 s PHE 107 Cb 0.06 -0.33 0.00 0.00 0.51 0.00 0.00 43.02 43.26 1i82 s PHE 107 CO 0.03 -0.05 0.00 0.41 0.70 0.00 0.00 175.22 176.32 1i82 n GLY 108 N 2.27 2.69 3.67 4.36 0.00 -0.51 -4.94 105.19 112.72 1i82 n GLY 108 Ca -0.17 -2.06 -0.45 0.00 0.00 0.00 0.00 46.02 43.33 1i82 n GLY 108 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1i82 n THR 109 N -0.21 0.69 0.00 2.61 -1.04 -1.26 -2.33 114.28 112.74 1i82 n THR 109 Ca 0.00 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1i82 n THR 109 Cb 0.00 -1.50 0.00 0.00 -1.82 0.00 0.00 70.33 67.01 1i82 n THR 109 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1i82 n GLY 110 N 2.49 2.87 3.77 3.41 0.00 -1.26 -1.50 105.19 114.98 1i82 n GLY 110 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1i82 n GLY 110 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i82 s GLY 111 N -0.82 2.83 -0.08 -0.02 0.00 -0.98 -4.74 107.32 103.50 1i82 s GLY 111 Ca 0.00 0.78 -0.08 0.00 0.00 0.00 0.00 44.72 45.42 1i82 s GLY 111 CO 0.00 1.26 0.23 -0.45 0.00 0.00 0.00 173.10 174.14 1i82 s SER 112 N -1.36 -0.23 0.59 1.64 0.15 -1.26 -4.74 113.70 108.49 1i82 s SER 112 Ca 0.55 0.44 0.36 0.00 0.70 0.00 0.00 55.95 58.01 1i82 s SER 112 Cb -0.25 0.46 1.75 0.00 -1.71 0.00 0.00 66.02 66.27 1i82 s SER 112 CO 0.32 -0.09 2.14 1.55 1.20 0.00 0.00 173.24 178.36 1i82 h PRO 113 N 5.74 0.00 0.00 5.44 0.13 -1.97 -1.69 132.00 139.65 1i82 h PRO 113 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1i82 h PRO 113 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1i82 h PRO 113 CO 0.37 0.03 0.00 0.00 -0.23 0.00 0.00 178.00 178.16 1i82 h ALA 114 N 1.97 1.00 0.00 -0.56 0.00 -2.02 -2.92 119.26 116.74 1i82 h ALA 114 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1i82 h ALA 114 Cb 0.31 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1i82 h ALA 114 CO 0.00 0.00 -0.19 0.54 0.00 0.00 0.00 179.25 179.60 1i82 n ARG 115 N -2.68 1.38 -3.64 0.00 1.74 -0.65 -4.92 116.66 107.89 1i82 n ARG 115 Ca 0.01 -2.84 -0.24 0.00 -0.77 0.00 0.00 57.85 54.02 1i82 n ARG 115 Cb 0.28 -1.54 -0.17 0.00 -1.02 0.00 0.00 32.46 30.01 1i82 n ARG 115 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1i82 s PHE 116 N -2.99 0.17 -0.10 -1.55 5.36 -1.10 -1.39 117.98 116.37 1i82 s PHE 116 Ca 0.34 -0.11 0.03 0.00 -0.96 0.00 0.00 56.93 56.24 1i82 s PHE 116 Cb 0.31 -0.62 -0.00 0.00 -0.34 0.00 0.00 43.02 42.37 1i82 s PHE 116 CO -0.01 -0.39 -0.22 0.21 -1.46 0.00 0.00 175.22 173.35 1i82 s LYS 117 N 2.14 3.07 0.06 10.12 2.20 -0.54 -4.87 119.74 131.92 1i82 s LYS 117 Ca 0.03 -0.84 -0.04 0.00 -0.36 0.00 0.00 55.97 54.76 1i82 s LYS 117 Cb -0.14 -2.36 -0.02 0.00 -1.51 0.00 0.00 37.83 33.79 1i82 s LYS 117 CO -0.07 0.21 0.05 0.95 -0.36 0.00 0.00 175.35 176.13 1i82 s THR 118 N 0.28 0.18 -0.07 3.43 -4.23 -1.26 -0.70 115.64 113.28 1i82 s THR 118 Ca -0.16 -1.46 -0.08 0.00 -1.18 0.00 0.00 61.69 58.81 1i82 s THR 118 Cb -0.17 -1.28 0.02 0.00 1.34 0.00 0.00 72.50 72.41 1i82 s THR 118 CO 0.08 -0.80 0.22 0.00 -0.54 0.00 0.00 174.62 173.57 1i82 s ALA 119 N -3.50 -0.54 -0.03 3.99 0.00 -0.59 -4.97 121.76 116.13 1i82 s ALA 119 Ca 0.03 0.51 0.03 0.00 0.00 0.00 0.00 51.96 52.52 1i82 s ALA 119 Cb 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.89 1i82 s ALA 119 CO -0.09 -0.13 -0.10 0.08 0.00 0.00 0.00 175.76 175.52 1i82 s VAL 120 N -0.18 0.89 -0.09 0.00 1.01 -1.26 -1.55 120.40 119.22 1i82 s VAL 120 Ca -0.03 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1i82 s VAL 120 Cb -0.03 -0.78 0.02 0.00 0.00 0.00 0.00 36.38 35.59 1i82 s VAL 120 CO 0.01 0.27 -0.09 -0.75 0.00 0.00 0.00 175.10 174.54 1i82 s LYS 121 N 0.14 1.48 0.45 2.72 2.20 -0.70 -4.91 119.74 121.11 1i82 s LYS 121 Ca -0.03 -0.28 -0.23 0.00 -0.36 0.00 0.00 55.97 55.07 1i82 s LYS 121 Cb -0.09 -1.41 -0.08 0.00 -1.51 0.00 0.00 37.83 34.75 1i82 s LYS 121 CO 0.01 -0.13 1.10 -0.51 -0.36 0.00 0.00 175.35 175.45 1i82 s LEU 122 N 1.22 4.01 0.21 5.43 1.43 -1.26 -0.65 118.68 129.08 1i82 s LEU 122 Ca -0.04 2.14 -0.00 0.00 -1.03 0.00 0.00 54.13 55.20 1i82 s LEU 122 Cb -0.14 -4.29 -0.04 0.00 0.03 0.00 0.00 46.19 41.75 1i82 s LEU 122 CO -0.03 -0.77 0.12 0.27 0.23 0.00 0.00 176.35 176.17 1i82 s ILE 123 N -1.66 0.16 0.01 -0.59 -4.36 -0.12 -4.87 121.20 109.76 1i82 s ILE 123 Ca 0.63 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.72 1i82 s ILE 123 Cb -0.24 -2.51 -0.08 0.00 1.25 0.00 0.00 42.46 40.89 1i82 s ILE 123 CO 0.29 -0.03 1.84 -0.70 0.24 0.00 0.00 174.94 176.58 1i82 s GLU 124 N -4.12 4.16 0.00 0.37 2.56 -1.26 -1.85 118.70 118.56 1i82 s GLU 124 Ca 0.38 2.45 0.00 0.00 0.00 0.00 0.00 54.97 57.79 1i82 s GLU 124 Cb 0.07 -4.06 0.00 0.00 2.00 0.00 0.00 34.13 32.14 1i82 s GLU 124 CO 0.12 -0.90 0.00 0.41 -0.56 0.00 0.00 175.26 174.32 1i82 n GLY 125 N 4.36 0.70 0.00 -1.50 0.00 -1.26 -4.91 105.19 102.58 1i82 n GLY 125 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1i82 n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i82 n GLY 126 N -2.54 -0.67 3.35 -0.02 0.00 -0.77 -0.32 105.19 104.21 1i82 n GLY 126 Ca 0.00 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 1i82 n GLY 126 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1i82 s TYR 127 N -4.00 -0.32 -0.17 1.61 -0.85 -0.73 -0.95 117.35 111.94 1i82 s TYR 127 Ca 0.00 0.15 -0.03 0.00 -0.52 0.00 0.00 57.07 56.68 1i82 s TYR 127 Cb 0.00 0.32 -0.02 0.00 0.38 0.00 0.00 41.96 42.64 1i82 s TYR 127 CO 0.00 -0.69 -0.07 0.42 -1.52 0.00 0.00 175.55 173.69 1i82 s ILE 128 N -3.24 3.41 -0.18 -3.49 1.01 0.18 -0.47 121.20 118.42 1i82 s ILE 128 Ca -0.01 -0.51 -0.04 0.00 0.00 0.00 0.00 60.65 60.09 1i82 s ILE 128 Cb 0.00 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.95 1i82 s ILE 128 CO -0.08 0.48 -0.02 -0.69 0.00 0.00 0.00 174.94 174.63 1i82 s VAL 129 N 0.78 3.92 -0.15 2.92 1.01 0.39 -1.71 120.40 127.55 1i82 s VAL 129 Ca -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1i82 s VAL 129 Cb -0.15 -2.74 0.02 0.00 0.00 0.00 0.00 36.38 33.51 1i82 s VAL 129 CO 0.02 0.46 -0.13 -0.70 0.00 0.00 0.00 175.10 174.74 1i82 s GLU 130 N 0.71 2.24 0.13 2.72 2.12 -0.59 -0.25 118.70 125.78 1i82 s GLU 130 Ca -0.01 -0.58 0.04 0.00 0.36 0.00 0.00 54.97 54.79 1i82 s GLU 130 Cb -0.14 -2.13 -0.04 0.00 0.26 0.00 0.00 34.13 32.08 1i82 s GLU 130 CO 0.02 -0.26 -0.11 0.00 -0.54 0.00 0.00 175.26 174.37 1i82 s ALA 131 N 1.49 1.36 -0.08 6.30 0.00 0.18 -1.54 121.76 129.46 1i82 s ALA 131 Ca 0.04 -1.38 0.01 0.00 0.00 0.00 0.00 51.96 50.64 1i82 s ALA 131 Cb -0.13 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.03 1i82 s ALA 131 CO -0.10 -0.05 -0.10 0.00 0.00 0.00 0.00 175.76 175.51 1i82 s ALA 132 N -2.90 1.25 -0.22 0.00 0.00 0.13 -1.02 121.76 118.99 1i82 s ALA 132 Ca 0.12 -0.45 -0.01 0.00 0.00 0.00 0.00 51.96 51.63 1i82 s ALA 132 Cb -0.00 -0.71 0.02 0.00 0.00 0.00 0.00 23.12 22.43 1i82 s ALA 132 CO 0.01 -0.12 -0.11 0.42 0.00 0.00 0.00 175.76 175.96 1i82 s ILE 133 N 1.13 2.66 0.03 0.00 1.01 0.12 -1.46 121.20 124.69 1i82 s ILE 133 Ca -0.06 -0.93 -0.30 0.00 0.00 0.00 0.00 60.65 59.36 1i82 s ILE 133 Cb -0.14 -2.26 -0.05 0.00 0.01 0.00 0.00 42.46 40.01 1i82 s ILE 133 CO -0.02 0.34 1.28 -0.75 0.00 0.00 0.00 174.94 175.80 1i82 s LYS 134 N 1.33 4.36 0.49 2.79 2.20 -0.48 -0.79 119.74 129.64 1i82 s LYS 134 Ca 0.02 1.84 -0.24 0.00 -0.36 0.00 0.00 55.97 57.24 1i82 s LYS 134 Cb -0.15 -3.43 -0.07 0.00 -1.51 0.00 0.00 37.83 32.67 1i82 s LYS 134 CO -0.07 -0.40 1.38 0.91 -0.36 0.00 0.00 175.35 176.81 1i82 n TRP 135 N 4.57 2.45 -0.11 4.03 7.02 -0.44 -4.90 117.44 130.05 1i82 n TRP 135 Ca 0.11 0.44 -0.20 0.00 -1.02 0.00 0.00 57.50 56.82 1i82 n TRP 135 Cb 0.45 -2.41 -0.09 0.00 -2.42 0.00 0.00 31.31 26.84 1i82 n TRP 135 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 1i82 n LYS 136 N -0.55 0.52 0.00 -0.99 4.81 -1.26 -4.80 118.16 115.89 1i82 n LYS 136 Ca 0.08 0.17 0.01 0.00 -0.87 0.00 0.00 58.31 57.70 1i82 n LYS 136 Cb 0.43 -1.39 -0.00 0.00 0.02 0.00 0.00 35.03 34.09 1i82 n LYS 136 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1i82 n THR 137 N -3.60 0.00 -4.36 3.15 -2.24 -1.26 -5.07 114.28 100.90 1i82 n THR 137 Ca -0.43 -0.48 -0.19 0.00 -2.27 0.00 0.00 64.05 60.69 1i82 n THR 137 Cb 0.87 1.02 -0.10 0.00 -2.10 0.00 0.00 70.33 70.02 1i82 n THR 137 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1i82 s ILE 138 N -0.70 1.38 -0.45 2.28 -4.36 -1.26 -5.09 121.20 113.00 1i82 s ILE 138 Ca 0.01 -2.09 0.02 0.00 -0.26 0.00 0.00 60.65 58.33 1i82 s ILE 138 Cb 0.01 -2.31 0.14 0.00 1.25 0.00 0.00 42.46 41.56 1i82 s ILE 138 CO 0.05 -0.39 0.26 -0.54 0.24 0.00 0.00 174.94 174.56 1i82 s LYS 139 N -3.77 1.31 0.49 0.37 3.01 -1.26 -4.82 119.74 115.06 1i82 s LYS 139 Ca 0.27 -2.08 -0.22 0.00 -1.01 0.00 0.00 55.97 52.93 1i82 s LYS 139 Cb 0.04 -2.29 -0.09 0.00 -1.01 0.00 0.00 37.83 34.48 1i82 s LYS 139 CO 0.09 -1.19 0.97 -0.35 0.51 0.00 0.00 175.35 175.38 1i82 n PRO 140 N 3.40 1.17 -4.33 -1.68 -0.04 -1.26 -5.05 135.00 127.21 1i82 n PRO 140 Ca 0.11 0.43 -0.17 0.00 -0.04 0.00 0.00 63.50 63.83 1i82 n PRO 140 Cb 0.36 -2.07 -0.10 0.00 -0.04 0.00 0.00 33.50 31.65 1i82 n PRO 140 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1i82 s THR 141 N -1.39 1.32 0.43 0.52 -4.23 -1.26 -4.75 115.64 106.29 1i82 s THR 141 Ca 0.67 -2.09 -0.25 0.00 -1.18 0.00 0.00 61.69 58.84 1i82 s THR 141 Cb -0.50 -2.15 -0.10 0.00 1.34 0.00 0.00 72.50 71.09 1i82 s THR 141 CO 0.54 -0.50 1.13 -2.65 -0.54 0.00 0.00 174.62 172.60 1i82 n PRO 142 N -0.37 1.59 -1.08 3.99 -0.02 -1.26 -2.14 135.00 135.71 1i82 n PRO 142 Ca -0.07 0.57 -0.03 0.00 -2.02 0.00 0.00 63.50 61.95 1i82 n PRO 142 Cb 0.62 -2.21 -0.01 0.00 -0.02 0.00 0.00 33.50 31.88 1i82 n PRO 142 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1i82 n ASN 143 N 0.28 -4.15 -4.77 2.55 3.02 0.27 -5.00 115.26 107.47 1i82 n ASN 143 Ca 0.08 0.07 -0.39 0.00 -0.03 0.00 0.00 54.58 54.31 1i82 n ASN 143 Cb 0.40 -1.89 -0.05 0.00 -0.61 0.00 0.00 39.78 37.63 1i82 n ASN 143 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1i82 s THR 144 N -1.83 3.76 -0.14 3.41 2.01 -0.91 -4.79 115.64 117.16 1i82 s THR 144 Ca 0.00 1.63 0.02 0.00 0.31 0.00 0.00 61.69 63.65 1i82 s THR 144 Cb 0.00 -3.98 0.01 0.00 0.01 0.00 0.00 72.50 68.54 1i82 s THR 144 CO 0.00 0.28 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.30 1i82 s VAL 145 N -1.34 2.14 0.29 3.82 1.01 -1.26 -0.37 120.40 124.68 1i82 s VAL 145 Ca 0.48 -0.96 0.11 0.00 0.00 0.00 0.00 61.98 61.60 1i82 s VAL 145 Cb -0.27 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 1i82 s VAL 145 CO 0.34 0.55 -0.12 0.27 0.00 0.00 0.00 175.10 176.13 1i82 s ILE 146 N 0.74 2.64 0.17 2.22 -4.36 -0.61 -4.50 121.20 117.51 1i82 s ILE 146 Ca -0.09 -2.24 -0.24 0.00 -0.26 0.00 0.00 60.65 57.82 1i82 s ILE 146 Cb -0.16 -2.51 -0.08 0.00 1.25 0.00 0.00 42.46 40.96 1i82 s ILE 146 CO -0.00 -0.34 0.76 -0.83 0.24 0.00 0.00 174.94 174.77 1i82 s GLY 147 N -3.58 2.86 -0.04 6.27 0.00 0.90 -0.68 107.32 113.05 1i82 s GLY 147 Ca 0.31 0.32 -0.24 0.00 0.00 0.00 0.00 44.72 45.12 1i82 s GLY 147 CO 0.17 0.80 0.52 -0.12 0.00 0.00 0.00 173.10 174.47 1i82 s PHE 148 N -1.21 -0.45 0.02 1.90 5.36 -0.09 -0.68 117.98 122.82 1i82 s PHE 148 Ca 0.37 0.77 -0.28 0.00 -0.96 0.00 0.00 56.93 56.83 1i82 s PHE 148 Cb -0.22 0.27 0.08 0.00 -0.34 0.00 0.00 43.02 42.81 1i82 s PHE 148 CO 0.25 -0.51 0.71 1.21 -1.46 0.00 0.00 175.22 175.42 1i82 s ASN 149 N -1.21 -0.56 -0.01 6.13 2.47 -0.88 -0.54 114.94 120.33 1i82 s ASN 149 Ca -0.12 0.34 0.01 0.00 0.42 0.00 0.00 52.86 53.51 1i82 s ASN 149 Cb -0.02 0.52 0.01 0.00 -1.45 0.00 0.00 41.25 40.30 1i82 s ASN 149 CO 0.07 -0.71 -0.01 -0.51 -3.72 0.00 0.00 177.10 172.22 1i82 s ILE 150 N -2.33 0.15 0.04 -5.21 2.07 -1.26 -0.34 121.20 114.33 1i82 s ILE 150 Ca -0.04 -0.02 0.05 0.00 -1.41 0.00 0.00 60.65 59.24 1i82 s ILE 150 Cb -0.01 -0.18 -0.02 0.00 0.13 0.00 0.00 42.46 42.38 1i82 s ILE 150 CO -0.01 0.08 -0.14 -1.58 -1.91 0.00 0.00 174.94 171.37 1i82 s GLN 151 N 0.35 0.91 -0.19 3.50 0.74 0.27 -1.70 119.66 123.55 1i82 s GLN 151 Ca -0.03 -0.79 -0.01 0.00 0.05 0.00 0.00 55.36 54.57 1i82 s GLN 151 Cb -0.06 -0.92 -0.00 0.00 1.10 0.00 0.00 33.01 33.13 1i82 s GLN 151 CO -0.01 0.22 -0.11 0.08 -0.55 0.00 0.00 175.29 174.92 1i82 s VAL 152 N -0.92 2.89 -0.18 1.34 1.01 0.71 -0.18 120.40 125.07 1i82 s VAL 152 Ca 0.01 -0.67 -0.14 0.00 0.00 0.00 0.00 61.98 61.18 1i82 s VAL 152 Cb -0.08 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1i82 s VAL 152 CO 0.01 0.48 0.31 0.20 0.00 0.00 0.00 175.10 176.11 1i82 s ASN 153 N 1.17 6.42 -0.23 3.32 0.01 0.10 -2.44 114.94 123.28 1i82 s ASN 153 Ca 0.01 0.48 -0.02 0.00 -0.71 0.00 0.00 52.86 52.63 1i82 s ASN 153 Cb -0.14 -2.19 0.01 0.00 0.41 0.00 0.00 41.25 39.34 1i82 s ASN 153 CO -0.04 0.05 -0.08 -0.62 -1.51 0.00 0.00 177.10 174.90 1i82 s ASP 154 N 0.66 4.11 0.07 -1.22 2.15 0.02 -2.24 116.67 120.22 1i82 s ASP 154 Ca 0.17 -0.66 0.04 0.00 0.43 0.00 0.00 52.55 52.53 1i82 s ASP 154 Cb -0.13 -1.66 -0.04 0.00 -0.30 0.00 0.00 42.92 40.79 1i82 s ASP 154 CO 0.05 -0.07 -0.03 0.00 -0.17 0.00 0.00 175.17 174.96 1i82 s ALA 155 N 1.38 3.20 0.62 3.66 0.00 -1.26 -0.50 121.76 128.85 1i82 s ALA 155 Ca 0.03 -1.10 0.08 0.00 0.00 0.00 0.00 51.96 50.98 1i82 s ALA 155 Cb -0.15 -1.16 0.11 0.00 0.00 0.00 0.00 23.12 21.91 1i82 s ALA 155 CO -0.05 0.67 0.86 0.54 0.00 0.00 0.00 175.76 177.77 1i82 s ASN 156 N -2.05 4.89 0.41 0.00 2.20 -0.64 -4.50 114.94 115.25 1i82 s ASN 156 Ca 0.23 -0.83 0.28 0.00 -0.94 0.00 0.00 52.86 51.60 1i82 s ASN 156 Cb -0.11 0.38 1.50 0.00 -2.00 0.00 0.00 41.25 41.02 1i82 s ASN 156 CO 0.15 -1.51 1.85 1.05 -2.94 0.00 0.00 177.10 175.69 1i82 h GLU 157 N -0.01 0.00 -0.37 3.55 9.09 -1.90 0.54 114.58 125.48 1i82 h GLU 157 Ca -0.30 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.11 1i82 h GLU 157 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.38 1i82 h GLU 157 CO 0.40 0.00 0.00 1.63 0.05 0.00 0.00 179.01 181.09 1i82 n LYS 158 N -2.48 2.04 -1.93 1.06 5.02 -1.26 -4.93 118.16 115.68 1i82 n LYS 158 Ca -0.02 -1.60 -0.13 0.00 -2.02 0.00 0.00 58.31 54.55 1i82 n LYS 158 Cb 0.05 -1.39 -0.02 0.00 -0.02 0.00 0.00 35.03 33.64 1i82 n LYS 158 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i82 n GLY 159 N 1.25 0.39 3.40 0.72 0.00 0.18 -4.95 105.19 106.18 1i82 n GLY 159 Ca 0.16 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 1i82 n GLY 159 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i82 s GLN 160 N -4.09 2.66 -0.10 1.61 -0.21 -1.26 -4.08 119.66 114.20 1i82 s GLN 160 Ca 0.00 -0.75 -0.30 0.00 0.02 0.00 0.00 55.36 54.33 1i82 s GLN 160 Cb 0.00 -2.36 -0.02 0.00 1.00 0.00 0.00 33.01 31.62 1i82 s GLN 160 CO 0.00 0.49 1.19 0.50 -2.12 0.00 0.00 175.29 175.35 1i82 s ARG 161 N -0.40 4.32 0.00 2.91 3.52 -1.26 -1.62 118.95 126.42 1i82 s ARG 161 Ca 0.04 1.63 0.04 0.00 -0.13 0.00 0.00 55.73 57.31 1i82 s ARG 161 Cb -0.12 -3.61 -0.02 0.00 -1.56 0.00 0.00 34.95 29.63 1i82 s ARG 161 CO 0.02 -0.51 0.29 1.33 -0.81 0.00 0.00 175.30 175.62 1i82 n VAL 162 N 4.84 0.00 -3.83 7.11 0.24 0.34 -4.98 118.33 122.04 1i82 n VAL 162 Ca 0.12 -0.43 -0.12 0.00 -2.04 0.00 0.00 64.34 61.86 1i82 n VAL 162 Cb 0.46 1.02 -0.13 0.00 -1.47 0.00 0.00 33.84 33.72 1i82 n VAL 162 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1i82 s GLY 163 N -1.11 -0.06 -0.25 7.63 0.00 -0.95 -3.34 107.32 109.24 1i82 s GLY 163 Ca 0.02 0.28 -0.04 0.00 0.00 0.00 0.00 44.72 44.99 1i82 s GLY 163 CO 0.13 0.28 0.15 -0.42 0.00 0.00 0.00 173.10 173.25 1i82 s ILE 164 N 0.16 -0.15 -0.03 0.90 1.01 0.23 -0.80 121.20 122.51 1i82 s ILE 164 Ca -0.01 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.17 1i82 s ILE 164 Cb -0.02 -0.83 0.02 0.00 0.01 0.00 0.00 42.46 41.64 1i82 s ILE 164 CO -0.00 -0.51 -0.04 -0.63 0.00 0.00 0.00 174.94 173.76 1i82 s ILE 165 N 2.18 0.46 0.17 2.92 1.01 -1.02 -0.85 121.20 126.06 1i82 s ILE 165 Ca 0.07 -0.12 0.02 0.00 0.00 0.00 0.00 60.65 60.61 1i82 s ILE 165 Cb -0.16 -0.47 -0.01 0.00 0.01 0.00 0.00 42.46 41.84 1i82 s ILE 165 CO -0.26 0.19 0.06 -1.54 0.00 0.00 0.00 174.94 173.39 1i82 n SER 166 N 3.76 1.04 -0.02 3.58 3.41 -0.22 -0.21 113.62 124.97 1i82 n SER 166 Ca -0.23 -1.91 -0.20 0.00 -0.26 0.00 0.00 58.87 56.28 1i82 n SER 166 Cb 0.52 0.43 -0.13 0.00 -0.26 0.00 0.00 64.21 64.78 1i82 n SER 166 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 1i82 h TRP 167 N 1.28 0.29 -0.00 7.33 7.01 -1.57 0.82 115.95 131.12 1i82 h TRP 167 Ca -0.13 -0.21 0.00 0.00 2.11 0.00 0.00 58.89 60.65 1i82 h TRP 167 Cb 0.51 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.56 1i82 h TRP 167 CO 0.00 1.41 -0.08 -1.13 -2.79 0.00 0.00 178.44 175.86 1i82 n SER 168 N -4.16 0.66 -3.92 2.65 3.41 -1.26 -4.38 113.62 106.62 1i82 n SER 168 Ca -0.22 -0.83 -0.30 0.00 -0.26 0.00 0.00 58.87 57.26 1i82 n SER 168 Cb 0.78 0.54 -0.16 0.00 -0.26 0.00 0.00 64.21 65.11 1i82 n SER 168 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1i82 s ASP 169 N -0.83 3.57 0.00 4.04 2.15 -1.26 -4.81 116.67 119.54 1i82 s ASP 169 Ca 0.02 -1.04 0.17 0.00 0.43 0.00 0.00 52.55 52.14 1i82 s ASP 169 Cb 0.03 -1.09 0.49 0.00 -0.30 0.00 0.00 42.92 42.05 1i82 s ASP 169 CO 0.09 -0.22 1.41 -0.81 -0.17 0.00 0.00 175.17 175.46 1i82 n PRO 170 N 4.74 2.29 -0.04 4.34 -0.04 -1.26 -4.27 135.00 140.76 1i82 n PRO 170 Ca -0.12 -2.00 0.04 0.00 -0.04 0.00 0.00 63.50 61.38 1i82 n PRO 170 Cb 0.45 -1.43 0.06 0.00 -0.04 0.00 0.00 33.50 32.53 1i82 n PRO 170 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1i82 n THR 171 N 1.13 0.26 -3.79 0.52 -2.24 -1.26 -3.78 114.28 105.12 1i82 n THR 171 Ca 0.19 -0.63 -0.28 0.00 -2.27 0.00 0.00 64.05 61.05 1i82 n THR 171 Cb 0.47 1.00 0.04 0.00 -2.10 0.00 0.00 70.33 69.74 1i82 n THR 171 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1i82 n ASN 172 N 0.42 -5.38 -0.03 3.42 5.15 -1.26 -4.88 115.26 112.70 1i82 n ASN 172 Ca 0.06 -0.68 0.00 0.00 -0.60 0.00 0.00 54.58 53.36 1i82 n ASN 172 Cb 0.26 -4.27 0.00 0.00 -0.53 0.00 0.00 39.78 35.24 1i82 n ASN 172 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1i82 n ASN 173 N -2.88 1.29 0.11 1.20 3.02 -1.26 -4.73 115.26 112.01 1i82 n ASN 173 Ca 0.03 -1.26 0.17 0.00 -0.03 0.00 0.00 54.58 53.49 1i82 n ASN 173 Cb 0.54 -0.00 0.72 0.00 -0.61 0.00 0.00 39.78 40.42 1i82 n ASN 173 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1i82 h SER 174 N 0.12 0.00 0.29 6.41 0.02 -1.90 0.36 113.55 118.85 1i82 h SER 174 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1i82 h SER 174 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1i82 h SER 174 CO 0.00 0.00 0.00 -2.67 -1.14 0.00 0.00 176.83 173.02 1i82 n TRP 175 N -4.23 0.23 -0.46 3.45 4.27 -1.26 -3.50 117.44 115.94 1i82 n TRP 175 Ca 0.05 0.11 0.00 0.00 -3.89 0.00 0.00 57.50 53.76 1i82 n TRP 175 Cb 0.43 -0.67 0.00 0.00 -1.36 0.00 0.00 31.31 29.71 1i82 n TRP 175 CO 0.00 0.00 0.00 2.89 -2.29 0.00 0.00 177.69 178.29 1i82 n ARG 176 N -1.73 0.00 -3.69 -2.67 1.85 -0.29 -4.72 116.66 105.41 1i82 n ARG 176 Ca 0.01 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.57 1i82 n ARG 176 Cb 0.10 -0.12 -0.13 0.00 -1.05 0.00 0.00 32.46 31.26 1i82 n ARG 176 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1i82 s ASP 177 N 0.00 3.68 0.66 2.89 -1.08 0.11 -3.72 116.67 119.20 1i82 s ASP 177 Ca 0.00 -2.35 0.38 0.00 -0.52 0.00 0.00 52.55 50.06 1i82 s ASP 177 Cb 0.00 -0.94 2.11 0.00 -1.46 0.00 0.00 42.92 42.64 1i82 s ASP 177 CO 0.00 -0.31 2.22 -0.65 0.52 0.00 0.00 175.17 176.96 1i82 h PRO 178 N 7.07 0.00 0.00 4.34 0.11 -1.76 -1.27 132.00 140.49 1i82 h PRO 178 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1i82 h PRO 178 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1i82 h PRO 178 CO 0.46 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.12 1i82 n SER 179 N -3.15 0.41 -0.24 -2.05 3.41 -0.18 -0.99 113.62 110.83 1i82 n SER 179 Ca -0.02 0.63 0.13 0.00 -0.26 0.00 0.00 58.87 59.35 1i82 n SER 179 Cb 0.18 -0.71 0.43 0.00 -0.26 0.00 0.00 64.21 63.85 1i82 n SER 179 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1i82 n LYS 180 N -1.99 0.87 -2.04 4.33 4.76 -0.48 -4.90 118.16 118.70 1i82 n LYS 180 Ca 0.01 -0.48 -0.31 0.00 -2.87 0.00 0.00 58.31 54.67 1i82 n LYS 180 Cb 0.14 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 1i82 n LYS 180 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1i82 s PHE 181 N -2.46 3.60 0.16 2.13 0.08 -0.16 -3.98 117.98 117.36 1i82 s PHE 181 Ca 0.26 1.23 0.01 0.00 0.12 0.00 0.00 56.93 58.55 1i82 s PHE 181 Cb 0.20 -2.66 0.03 0.00 -0.57 0.00 0.00 43.02 40.02 1i82 s PHE 181 CO 0.50 -0.59 0.23 0.41 -0.10 0.00 0.00 175.22 175.66 1i82 n GLY 182 N -2.56 1.24 3.48 4.36 0.00 0.29 -4.77 105.19 107.23 1i82 n GLY 182 Ca 0.05 -2.05 -0.33 0.00 0.00 0.00 0.00 46.02 43.69 1i82 n GLY 182 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i82 s ASN 183 N -1.96 4.46 -0.22 1.61 0.01 0.27 -0.91 114.94 118.20 1i82 s ASN 183 Ca 0.16 -0.17 0.02 0.00 -0.71 0.00 0.00 52.86 52.16 1i82 s ASN 183 Cb -0.01 -1.50 0.04 0.00 0.41 0.00 0.00 41.25 40.19 1i82 s ASN 183 CO 0.10 0.23 -0.14 -0.22 -1.51 0.00 0.00 177.10 175.57 1i82 s LEU 184 N -0.03 2.72 -0.22 0.60 2.96 0.15 -1.00 118.68 123.86 1i82 s LEU 184 Ca -0.01 -1.03 -0.21 0.00 -0.22 0.00 0.00 54.13 52.67 1i82 s LEU 184 Cb -0.14 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.08 1i82 s LEU 184 CO 0.03 -0.12 0.64 0.00 -1.32 0.00 0.00 176.35 175.59 1i82 s ARG 185 N 1.24 4.18 -0.48 1.98 1.70 0.07 -1.57 118.95 126.05 1i82 s ARG 185 Ca -0.02 0.61 -0.24 0.00 -0.47 0.00 0.00 55.73 55.61 1i82 s ARG 185 Cb -0.17 -3.61 0.03 0.00 -0.57 0.00 0.00 34.95 30.64 1i82 s ARG 185 CO -0.08 -0.31 0.87 -0.51 -1.08 0.00 0.00 175.30 174.18 1i82 s LEU 186 N 2.16 4.15 0.29 -1.89 1.43 0.50 -1.15 118.68 124.16 1i82 s LEU 186 Ca 0.28 -0.12 0.09 0.00 -1.03 0.00 0.00 54.13 53.35 1i82 s LEU 186 Cb -0.16 -2.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.03 1i82 s LEU 186 CO 0.10 -1.04 0.04 0.27 0.23 0.00 0.00 176.35 175.94 1i82 s ILE 187 N 3.61 3.34 -2.96 -0.59 -4.36 -0.25 0.93 121.20 120.91 1i82 s ILE 187 Ca 0.32 -1.85 0.24 0.00 -0.26 0.00 0.00 60.65 59.11 1i82 s ILE 187 Cb -0.12 -2.90 0.22 0.00 1.25 0.00 0.00 42.46 40.91 1i82 s ILE 187 CO 0.23 -0.32 1.30 2.29 0.24 0.00 0.00 174.94 178.67