#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t6v s VAL 3 N 0.00 4.04 -0.35 5.15 1.01 -1.26 -0.16 120.40 128.83 1t6v s VAL 3 Ca 0.00 -0.57 -0.13 0.00 0.00 0.00 0.00 61.98 61.28 1t6v s VAL 3 Cb 0.00 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 1t6v s VAL 3 CO 0.00 0.14 0.23 -1.81 0.00 0.00 0.00 175.10 173.67 1t6v s ASP 4 N 1.53 5.97 -0.15 3.32 1.01 -0.32 -4.11 116.67 123.92 1t6v s ASP 4 Ca 0.04 -0.54 -0.03 0.00 0.71 0.00 0.00 52.55 52.72 1t6v s ASP 4 Cb -0.17 -2.11 -0.03 0.00 1.01 0.00 0.00 42.92 41.62 1t6v s ASP 4 CO 0.03 -0.27 -0.05 -1.58 0.21 0.00 0.00 175.17 173.50 1t6v s GLN 5 N 1.69 3.61 -0.01 8.23 0.74 -1.26 -1.11 119.66 131.55 1t6v s GLN 5 Ca 0.05 -0.55 0.03 0.00 0.05 0.00 0.00 55.36 54.95 1t6v s GLN 5 Cb -0.18 -2.86 -0.01 0.00 1.10 0.00 0.00 33.01 31.06 1t6v s GLN 5 CO 0.10 0.25 -0.11 0.95 -0.55 0.00 0.00 175.29 175.93 1t6v s THR 6 N 0.33 0.87 0.52 -0.34 -4.23 -0.00 -4.45 115.64 108.34 1t6v s THR 6 Ca -0.05 -0.46 -0.01 0.00 -1.18 0.00 0.00 61.69 59.99 1t6v s THR 6 Cb -0.14 -0.74 0.01 0.00 1.34 0.00 0.00 72.50 72.97 1t6v s THR 6 CO 0.03 0.25 0.76 -2.16 -0.54 0.00 0.00 174.62 172.97 1t6v s PRO 7 N -0.16 2.81 0.31 3.99 0.04 -1.26 -0.63 135.00 140.09 1t6v s PRO 7 Ca 0.03 -0.50 0.12 0.00 0.04 0.00 0.00 61.00 60.69 1t6v s PRO 7 Cb -0.05 -2.47 0.47 0.00 0.04 0.00 0.00 34.50 32.49 1t6v s PRO 7 CO -0.00 -0.55 1.67 -0.09 0.04 0.00 0.00 177.00 178.07 1t6v h ARG 8 N 0.14 0.00 -3.06 4.56 2.43 -1.78 -3.39 114.38 113.28 1t6v h ARG 8 Ca -0.45 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.66 1t6v h ARG 8 Cb 1.27 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.67 1t6v h ARG 8 CO 0.56 0.54 -0.03 -1.54 -1.51 0.00 0.00 179.97 177.99 1t6v s SER 9 N -6.80 -0.34 -0.12 -3.80 1.04 -1.26 -1.29 113.70 101.13 1t6v s SER 9 Ca -0.01 -0.04 -0.21 0.00 0.48 0.00 0.00 55.95 56.16 1t6v s SER 9 Cb 0.13 0.47 0.05 0.00 0.10 0.00 0.00 66.02 66.77 1t6v s SER 9 CO 0.74 -0.76 0.53 0.54 0.98 0.00 0.00 173.24 175.27 1t6v s VAL 10 N -2.96 0.01 -0.09 5.02 0.11 -0.64 -4.92 120.40 116.93 1t6v s VAL 10 Ca -0.02 -0.10 0.03 0.00 -2.93 0.00 0.00 61.98 58.95 1t6v s VAL 10 Cb 0.00 -0.79 -0.01 0.00 -1.53 0.00 0.00 36.38 34.05 1t6v s VAL 10 CO -0.06 -0.06 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.59 1t6v s THR 11 N -0.43 2.67 0.27 5.04 2.01 -1.26 -1.32 115.64 122.63 1t6v s THR 11 Ca -0.06 -0.83 0.06 0.00 0.31 0.00 0.00 61.69 61.17 1t6v s THR 11 Cb -0.03 -2.05 -0.06 0.00 0.01 0.00 0.00 72.50 70.37 1t6v s THR 11 CO 0.04 0.56 -0.04 -0.54 -0.69 0.00 0.00 174.62 173.94 1t6v s LYS 12 N -0.07 1.52 0.01 4.92 -0.14 -0.02 -4.99 119.74 120.96 1t6v s LYS 12 Ca -0.04 -1.77 -0.08 0.00 -1.36 0.00 0.00 55.97 52.72 1t6v s LYS 12 Cb -0.14 -1.04 -0.05 0.00 -1.68 0.00 0.00 37.83 34.92 1t6v s LYS 12 CO 0.04 0.00 0.28 -1.21 -0.76 0.00 0.00 175.35 173.71 1t6v s GLU 13 N -3.76 3.62 0.01 1.68 0.41 -1.26 -0.04 118.70 119.36 1t6v s GLU 13 Ca 0.30 -0.01 -0.39 0.00 -0.41 0.00 0.00 54.97 54.45 1t6v s GLU 13 Cb 0.04 -3.09 -0.18 0.00 -1.78 0.00 0.00 34.13 29.13 1t6v s GLU 13 CO 0.11 0.65 1.26 2.41 -0.49 0.00 0.00 175.26 179.20 1t6v n THR 14 N 1.21 0.01 0.00 3.63 -1.04 -0.21 -1.56 114.28 116.32 1t6v n THR 14 Ca -0.12 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 1t6v n THR 14 Cb 0.53 -0.49 0.00 0.00 -1.82 0.00 0.00 70.33 68.55 1t6v n THR 14 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1t6v n GLY 15 N 2.23 3.10 3.70 3.41 0.00 0.54 -4.94 105.19 113.22 1t6v n GLY 15 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1t6v n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1t6v s GLU 16 N -0.48 0.44 0.26 1.61 2.02 -0.60 -4.29 118.70 117.66 1t6v s GLU 16 Ca 0.00 0.41 0.10 0.00 0.02 0.00 0.00 54.97 55.49 1t6v s GLU 16 Cb 0.00 -1.75 -0.04 0.00 0.10 0.00 0.00 34.13 32.44 1t6v s GLU 16 CO 0.00 -2.70 -0.04 -1.12 0.02 0.00 0.00 175.26 171.42 1t6v s SER 17 N -3.62 4.40 0.06 -0.19 0.01 -1.26 -1.08 113.70 112.02 1t6v s SER 17 Ca 0.65 -0.68 0.04 0.00 1.31 0.00 0.00 55.95 57.27 1t6v s SER 17 Cb -0.17 -0.76 -0.03 0.00 0.21 0.00 0.00 66.02 65.26 1t6v s SER 17 CO 0.57 0.02 -0.11 -0.22 0.41 0.00 0.00 173.24 173.90 1t6v s LEU 18 N -3.56 2.28 -0.10 2.44 0.20 -0.74 -4.99 118.68 114.21 1t6v s LEU 18 Ca 0.31 -0.60 0.03 0.00 0.69 0.00 0.00 54.13 54.55 1t6v s LEU 18 Cb -0.06 -0.36 0.01 0.00 -0.43 0.00 0.00 46.19 45.34 1t6v s LEU 18 CO 0.19 -0.14 -0.20 -0.89 -0.29 0.00 0.00 176.35 175.02 1t6v s THR 19 N -1.39 1.76 -0.11 3.68 2.01 -1.26 -0.80 115.64 119.54 1t6v s THR 19 Ca -0.05 -0.84 -0.01 0.00 0.31 0.00 0.00 61.69 61.10 1t6v s THR 19 Cb -0.10 -1.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.84 1t6v s THR 19 CO 0.01 0.49 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.75 1t6v s ILE 20 N 0.55 3.73 -0.12 1.82 1.01 0.34 -4.68 121.20 123.86 1t6v s ILE 20 Ca -0.15 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.07 1t6v s ILE 20 Cb -0.17 -2.58 -0.01 0.00 0.01 0.00 0.00 42.46 39.71 1t6v s ILE 20 CO 0.05 0.54 -0.15 0.20 0.00 0.00 0.00 174.94 175.59 1t6v s ASN 21 N -0.16 3.87 -0.05 3.58 0.01 0.20 -1.65 114.94 120.73 1t6v s ASN 21 Ca 0.02 -0.35 0.05 0.00 -0.71 0.00 0.00 52.86 51.87 1t6v s ASN 21 Cb -0.13 -1.53 -0.02 0.00 0.41 0.00 0.00 41.25 39.98 1t6v s ASN 21 CO 0.03 0.18 -0.19 0.00 -1.51 0.00 0.00 177.10 175.60 1t6v s VAL 23 N -0.49 0.90 -0.47 0.00 0.11 -0.27 -0.79 120.40 119.40 1t6v s VAL 23 Ca 0.06 -0.28 -0.28 0.00 -2.93 0.00 0.00 61.98 58.55 1t6v s VAL 23 Cb -0.12 -0.90 0.03 0.00 -1.53 0.00 0.00 36.38 33.86 1t6v s VAL 23 CO 0.01 0.33 1.09 -0.22 -3.33 0.00 0.00 175.10 172.98 1t6v s LEU 24 N 1.24 3.73 0.13 2.54 2.96 -0.16 -1.18 118.68 127.93 1t6v s LEU 24 Ca -0.05 0.42 0.06 0.00 -0.22 0.00 0.00 54.13 54.34 1t6v s LEU 24 Cb -0.14 -3.47 -0.04 0.00 0.50 0.00 0.00 46.19 43.04 1t6v s LEU 24 CO -0.02 -1.19 0.01 -0.13 -1.32 0.00 0.00 176.35 173.70 1t6v s ARG 25 N 4.27 2.52 -1.08 1.98 0.52 0.77 -4.68 118.95 123.24 1t6v s ARG 25 Ca 0.45 -0.94 0.00 0.00 -0.52 0.00 0.00 55.73 54.73 1t6v s ARG 25 Cb -0.08 -2.48 0.00 0.00 0.52 0.00 0.00 34.95 32.91 1t6v s ARG 25 CO 0.30 0.50 0.00 -0.25 0.02 0.00 0.00 175.30 175.87 1t6v n ASP 26 N 0.25 -4.01 -4.54 0.23 8.00 -1.26 -0.74 116.55 114.47 1t6v n ASP 26 Ca -0.10 0.13 -0.33 0.00 0.71 0.00 0.00 54.79 55.20 1t6v n ASP 26 Cb 0.53 -2.88 -0.12 0.00 -0.02 0.00 0.00 41.12 38.63 1t6v n ASP 26 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1t6v s ALA 27 N -2.49 2.87 -2.12 2.24 0.00 -1.26 -4.77 121.76 116.23 1t6v s ALA 27 Ca 0.00 -0.92 0.22 0.00 0.00 0.00 0.00 51.96 51.27 1t6v s ALA 27 Cb 0.00 -1.15 0.01 0.00 0.00 0.00 0.00 23.12 21.98 1t6v s ALA 27 CO 0.00 0.55 1.10 0.43 0.00 0.00 0.00 175.76 177.84 1t6v n SER 28 N 2.30 2.13 -4.92 0.00 7.64 -1.26 -4.94 113.62 114.57 1t6v n SER 28 Ca -0.18 -1.56 -0.22 0.00 1.01 0.00 0.00 58.87 57.92 1t6v n SER 28 Cb 0.53 0.43 -0.03 0.00 -1.01 0.00 0.00 64.21 64.13 1t6v n SER 28 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1t6v s TYR 29 N -2.41 3.34 0.48 1.43 -0.85 -1.26 -5.10 117.35 112.98 1t6v s TYR 29 Ca 0.19 -0.04 -0.19 0.00 -0.52 0.00 0.00 57.07 56.51 1t6v s TYR 29 Cb 0.18 -1.52 -0.09 0.00 0.38 0.00 0.00 41.96 40.91 1t6v s TYR 29 CO 0.54 0.47 0.99 0.00 -1.52 0.00 0.00 175.55 176.03 1t6v s ALA 30 N -2.01 2.97 0.10 9.51 0.00 -1.26 -4.99 121.76 126.07 1t6v s ALA 30 Ca 0.34 0.41 -0.31 0.00 0.00 0.00 0.00 51.96 52.40 1t6v s ALA 30 Cb -0.09 -3.18 -0.08 0.00 0.00 0.00 0.00 23.12 19.77 1t6v s ALA 30 CO 0.28 -0.17 1.53 -1.17 0.00 0.00 0.00 175.76 176.23 1t6v s LEU 31 N -3.60 4.36 0.00 0.00 2.96 -1.26 -4.99 118.68 116.15 1t6v s LEU 31 Ca 0.63 2.43 0.00 0.00 -0.22 0.00 0.00 54.13 56.97 1t6v s LEU 31 Cb -0.12 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.99 1t6v s LEU 31 CO 0.21 -0.79 0.00 0.61 -1.32 0.00 0.00 176.35 175.06 1t6v n GLY 32 N 3.77 1.86 3.77 7.98 0.00 -1.26 -5.02 105.19 116.28 1t6v n GLY 32 Ca 0.14 -1.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.07 1t6v n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1t6v s SER 33 N -1.00 5.41 0.12 1.61 1.04 -1.26 -4.92 113.70 114.69 1t6v s SER 33 Ca 0.00 2.13 0.09 0.00 0.48 0.00 0.00 55.95 58.65 1t6v s SER 33 Cb 0.00 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 1t6v s SER 33 CO 0.00 -1.43 -0.21 0.42 0.98 0.00 0.00 173.24 173.00 1t6v s THR 34 N -1.98 1.81 0.02 2.02 -4.23 -1.26 -1.11 115.64 110.91 1t6v s THR 34 Ca 0.71 -1.65 0.02 0.00 -1.18 0.00 0.00 61.69 59.59 1t6v s THR 34 Cb -0.23 -1.67 -0.02 0.00 1.34 0.00 0.00 72.50 71.92 1t6v s THR 34 CO 0.33 -0.09 -0.06 0.00 -0.54 0.00 0.00 174.62 174.26 1t6v s TRP 36 N -0.92 1.29 0.05 0.00 0.52 -1.26 -0.04 118.94 118.58 1t6v s TRP 36 Ca -0.06 -0.31 0.07 0.00 0.02 0.00 0.00 56.10 55.82 1t6v s TRP 36 Cb -0.07 -0.87 -0.03 0.00 -1.15 0.00 0.00 33.47 31.36 1t6v s TRP 36 CO 0.00 -0.09 -0.21 0.71 0.02 0.00 0.00 176.95 177.39 1t6v s TYR 37 N -0.06 1.79 -0.02 -1.98 1.51 0.34 -0.98 117.35 117.96 1t6v s TYR 37 Ca 0.00 -0.38 0.06 0.00 -1.01 0.00 0.00 57.07 55.75 1t6v s TYR 37 Cb -0.08 -1.06 -0.01 0.00 -0.11 0.00 0.00 41.96 40.69 1t6v s TYR 37 CO 0.01 0.10 -0.20 0.50 -1.11 0.00 0.00 175.55 174.84 1t6v s ARG 38 N -1.22 1.67 -0.27 -0.62 3.52 0.13 -0.83 118.95 121.33 1t6v s ARG 38 Ca 0.07 -0.72 0.01 0.00 -0.13 0.00 0.00 55.73 54.96 1t6v s ARG 38 Cb -0.09 -1.60 0.05 0.00 -1.56 0.00 0.00 34.95 31.75 1t6v s ARG 38 CO 0.02 0.43 -0.07 0.21 -0.81 0.00 0.00 175.30 175.07 1t6v s LYS 39 N -0.44 2.35 0.47 5.12 2.20 0.49 -0.57 119.74 129.36 1t6v s LYS 39 Ca 0.07 -1.29 -0.24 0.00 -0.36 0.00 0.00 55.97 54.15 1t6v s LYS 39 Cb -0.08 -2.99 -0.07 0.00 -1.51 0.00 0.00 37.83 33.18 1t6v s LYS 39 CO -0.01 -0.57 1.32 0.15 -0.36 0.00 0.00 175.35 175.88 1t6v s LYS 40 N 1.17 3.58 0.30 4.03 1.02 -1.26 -0.30 119.74 128.27 1t6v s LYS 40 Ca -0.07 2.15 -0.30 0.00 0.02 0.00 0.00 55.97 57.77 1t6v s LYS 40 Cb -0.20 -2.49 -0.12 0.00 -0.52 0.00 0.00 37.83 34.50 1t6v s LYS 40 CO -0.04 -0.81 1.41 0.43 -0.92 0.00 0.00 175.35 175.42 1t6v n SER 41 N -0.47 3.07 0.00 2.83 7.64 -1.13 -1.39 113.62 124.17 1t6v n SER 41 Ca 0.07 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.12 1t6v n SER 41 Cb 0.45 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 1t6v n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t6v n GLY 42 N 1.54 0.55 0.05 0.23 0.00 -1.26 -4.87 105.19 101.43 1t6v n GLY 42 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 1t6v n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1t6v n GLU 43 N -1.88 1.65 -0.98 1.61 1.02 -0.48 -5.01 120.64 116.57 1t6v n GLU 43 Ca 0.00 0.02 -0.06 0.00 -0.02 0.00 0.00 57.16 57.10 1t6v n GLU 43 Cb 0.05 -1.21 -0.03 0.00 -0.02 0.00 0.00 31.44 30.23 1t6v n GLU 43 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1t6v n GLY 44 N 2.71 0.58 3.61 0.62 0.00 -1.24 -4.95 105.19 106.52 1t6v n GLY 44 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 1t6v n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t6v s ASN 45 N -1.49 5.92 -0.51 1.61 4.22 -1.26 -5.09 114.94 118.34 1t6v s ASN 45 Ca 0.00 0.02 -0.20 0.00 -2.14 0.00 0.00 52.86 50.54 1t6v s ASN 45 Cb 0.00 -2.08 0.05 0.00 1.28 0.00 0.00 41.25 40.50 1t6v s ASN 45 CO 0.00 0.02 0.70 -0.70 -2.04 0.00 0.00 177.10 175.08 1t6v s GLU 46 N 1.34 3.19 -0.01 3.55 2.12 -1.26 -4.48 118.70 123.14 1t6v s GLU 46 Ca 0.07 -0.69 0.02 0.00 0.36 0.00 0.00 54.97 54.73 1t6v s GLU 46 Cb -0.15 -4.07 -0.03 0.00 0.26 0.00 0.00 34.13 30.14 1t6v s GLU 46 CO 0.07 -1.27 -0.05 -2.00 -0.54 0.00 0.00 175.26 171.47 1t6v s GLU 47 N 2.97 2.64 0.37 4.30 2.12 0.26 -4.64 118.70 126.73 1t6v s GLU 47 Ca 0.19 -0.66 -0.27 0.00 0.36 0.00 0.00 54.97 54.59 1t6v s GLU 47 Cb -0.17 -2.56 -0.10 0.00 0.26 0.00 0.00 34.13 31.56 1t6v s GLU 47 CO 0.14 0.62 1.32 -1.12 -0.54 0.00 0.00 175.26 175.69 1t6v s SER 48 N -1.32 6.50 -0.21 -1.70 0.01 -1.26 0.19 113.70 115.91 1t6v s SER 48 Ca 0.17 2.71 -0.11 0.00 1.31 0.00 0.00 55.95 60.02 1t6v s SER 48 Cb -0.11 -2.65 -0.05 0.00 0.21 0.00 0.00 66.02 63.42 1t6v s SER 48 CO 0.07 -0.73 0.20 -0.63 0.41 0.00 0.00 173.24 172.56 1t6v s ILE 49 N -1.20 5.35 0.15 1.44 1.01 -0.15 -4.82 121.20 122.98 1t6v s ILE 49 Ca 0.53 0.30 -0.30 0.00 0.00 0.00 0.00 60.65 61.18 1t6v s ILE 49 Cb -0.40 -3.53 -0.08 0.00 0.01 0.00 0.00 42.46 38.46 1t6v s ILE 49 CO 0.52 0.38 1.27 -0.94 0.00 0.00 0.00 174.94 176.16 1t6v s SER 50 N 0.71 6.98 0.30 3.58 1.04 -1.26 -4.61 113.70 120.44 1t6v s SER 50 Ca 0.10 2.25 -0.27 0.00 0.48 0.00 0.00 55.95 58.51 1t6v s SER 50 Cb -0.13 -2.60 -0.10 0.00 0.10 0.00 0.00 66.02 63.30 1t6v s SER 50 CO 0.02 -0.49 0.96 -0.54 0.98 0.00 0.00 173.24 174.17 1t6v s LYS 51 N 0.35 4.64 0.00 4.02 1.02 -1.26 -4.84 119.74 123.67 1t6v s LYS 51 Ca 0.57 1.41 0.00 0.00 0.02 0.00 0.00 55.97 57.97 1t6v s LYS 51 Cb -0.34 -2.94 0.00 0.00 -0.52 0.00 0.00 37.83 34.03 1t6v s LYS 51 CO 0.34 0.32 0.00 0.41 -0.92 0.00 0.00 175.35 175.50 1t6v n GLY 52 N 0.84 1.95 7.00 -3.33 0.00 -0.09 -5.02 105.19 106.55 1t6v n GLY 52 Ca 0.01 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1t6v n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t6v n GLY 53 N 0.09 3.25 0.00 -0.02 0.00 -1.26 -2.10 105.19 105.16 1t6v n GLY 53 Ca 0.00 -0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.02 1t6v n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t6v n ARG 54 N 13.27 0.24 -3.56 1.61 1.74 -1.26 -4.69 116.66 124.01 1t6v n ARG 54 Ca 0.00 0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.68 1t6v n ARG 54 Cb 0.00 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.84 1t6v n ARG 54 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1t6v s TYR 55 N -2.76 3.31 -0.32 -1.55 1.51 -0.89 -2.23 117.35 114.43 1t6v s TYR 55 Ca 0.22 -1.34 -0.09 0.00 -1.01 0.00 0.00 57.07 54.84 1t6v s TYR 55 Cb 0.19 -2.95 0.00 0.00 -0.11 0.00 0.00 41.96 39.09 1t6v s TYR 55 CO 0.48 -0.82 0.14 0.08 -1.11 0.00 0.00 175.55 174.32 1t6v s VAL 56 N 1.48 4.46 -0.10 0.71 1.01 0.46 -0.91 120.40 127.53 1t6v s VAL 56 Ca 0.03 -0.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.36 1t6v s VAL 56 Cb -0.23 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 1t6v s VAL 56 CO 0.03 0.03 0.25 -0.70 0.00 0.00 0.00 175.10 174.72 1t6v s GLU 57 N 1.58 3.80 0.10 2.72 2.12 -1.26 -1.11 118.70 126.64 1t6v s GLU 57 Ca 0.04 0.07 0.07 0.00 0.36 0.00 0.00 54.97 55.52 1t6v s GLU 57 Cb -0.17 -3.26 -0.03 0.00 0.26 0.00 0.00 34.13 30.92 1t6v s GLU 57 CO 0.05 0.61 -0.19 0.95 -0.54 0.00 0.00 175.26 176.14 1t6v s THR 58 N -0.65 1.57 0.00 -1.70 -4.23 -0.64 -4.99 115.64 105.00 1t6v s THR 58 Ca 0.17 -1.50 0.04 0.00 -1.18 0.00 0.00 61.69 59.23 1t6v s THR 58 Cb -0.14 -1.45 -0.01 0.00 1.34 0.00 0.00 72.50 72.24 1t6v s THR 58 CO 0.06 -0.10 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.24 1t6v s VAL 59 N -1.21 0.90 -0.34 2.29 1.01 -1.26 -0.76 120.40 121.03 1t6v s VAL 59 Ca 0.05 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1t6v s VAL 59 Cb -0.10 -0.77 0.10 0.00 0.00 0.00 0.00 36.38 35.61 1t6v s VAL 59 CO 0.04 0.17 0.10 0.21 0.00 0.00 0.00 175.10 175.62 1t6v s ASN 60 N -0.49 4.30 0.35 3.32 3.84 0.27 -4.99 114.94 121.54 1t6v s ASN 60 Ca 0.03 -2.01 0.04 0.00 0.21 0.00 0.00 52.86 51.13 1t6v s ASN 60 Cb -0.05 -1.22 0.65 0.00 -0.55 0.00 0.00 41.25 40.08 1t6v s ASN 60 CO -0.00 -0.38 1.94 0.77 -2.79 0.00 0.00 177.10 176.64 1t6v h SER 61 N 7.69 0.56 -0.72 -4.21 4.64 -1.96 -1.07 113.55 118.48 1t6v h SER 61 Ca -0.08 -0.06 0.03 0.00 -0.47 0.00 0.00 61.79 61.20 1t6v h SER 61 Cb 1.00 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.91 1t6v h SER 61 CO 0.50 0.52 0.46 1.23 -0.87 0.00 0.00 176.83 178.67 1t6v h GLY 62 N 0.78 1.03 -2.36 -0.77 0.00 -1.94 -2.60 103.07 97.21 1t6v h GLY 62 Ca 0.15 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1t6v h GLY 62 CO -0.01 0.31 0.00 -1.14 0.00 0.00 0.00 176.54 175.69 1t6v n SER 63 N -4.64 3.53 -4.05 0.19 3.41 -1.12 -4.95 113.62 105.99 1t6v n SER 63 Ca 0.08 -2.00 -0.28 0.00 -0.26 0.00 0.00 58.87 56.42 1t6v n SER 63 Cb 0.07 -0.28 -0.04 0.00 -0.26 0.00 0.00 64.21 63.71 1t6v n SER 63 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1t6v n LYS 64 N 1.52 -2.87 -4.59 4.33 5.02 -0.49 -4.70 118.16 116.38 1t6v n LYS 64 Ca 0.20 0.35 -0.28 0.00 -2.02 0.00 0.00 58.31 56.56 1t6v n LYS 64 Cb 0.61 -4.44 -0.14 0.00 -0.02 0.00 0.00 35.03 31.05 1t6v n LYS 64 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1t6v s SER 65 N -4.25 2.99 -0.08 4.39 0.01 -0.70 -0.99 113.70 115.07 1t6v s SER 65 Ca 0.09 -0.65 -0.11 0.00 1.31 0.00 0.00 55.95 56.59 1t6v s SER 65 Cb -0.05 -0.23 0.03 0.00 0.21 0.00 0.00 66.02 65.98 1t6v s SER 65 CO 0.91 0.18 0.29 0.72 0.41 0.00 0.00 173.24 175.75 1t6v s PHE 66 N -0.94 -0.27 0.04 2.43 -0.12 0.03 -0.57 117.98 118.58 1t6v s PHE 66 Ca 0.11 0.62 -0.00 0.00 -0.05 0.00 0.00 56.93 57.60 1t6v s PHE 66 Cb -0.10 0.10 -0.03 0.00 -0.63 0.00 0.00 43.02 42.36 1t6v s PHE 66 CO 0.04 -0.21 -0.03 -1.12 -0.05 0.00 0.00 175.22 173.84 1t6v s SER 67 N -0.26 0.44 -0.06 1.98 0.01 0.06 -0.41 113.70 115.47 1t6v s SER 67 Ca -0.04 -0.79 0.03 0.00 1.31 0.00 0.00 55.95 56.46 1t6v s SER 67 Cb -0.03 0.15 0.01 0.00 0.21 0.00 0.00 66.02 66.36 1t6v s SER 67 CO 0.01 -0.46 -0.13 -0.22 0.41 0.00 0.00 173.24 172.86 1t6v s LEU 68 N -2.30 1.70 -0.13 2.44 2.96 -0.66 -1.63 118.68 121.07 1t6v s LEU 68 Ca -0.02 -0.30 -0.02 0.00 -0.22 0.00 0.00 54.13 53.57 1t6v s LEU 68 Cb 0.00 -0.84 -0.02 0.00 0.50 0.00 0.00 46.19 45.83 1t6v s LEU 68 CO -0.06 0.05 -0.08 -0.60 -1.32 0.00 0.00 176.35 174.35 1t6v s ARG 69 N 0.54 3.41 -0.21 1.98 3.52 -0.27 -0.50 118.95 127.42 1t6v s ARG 69 Ca -0.12 -0.59 -0.05 0.00 -0.13 0.00 0.00 55.73 54.84 1t6v s ARG 69 Cb -0.15 -2.75 -0.02 0.00 -1.56 0.00 0.00 34.95 30.47 1t6v s ARG 69 CO 0.03 0.30 -0.01 0.42 -0.81 0.00 0.00 175.30 175.24 1t6v s ILE 70 N 0.16 3.79 0.24 4.11 1.01 0.02 -0.40 121.20 130.13 1t6v s ILE 70 Ca -0.04 -0.36 0.06 0.00 0.00 0.00 0.00 60.65 60.30 1t6v s ILE 70 Cb -0.14 -2.72 -0.03 0.00 0.01 0.00 0.00 42.46 39.58 1t6v s ILE 70 CO 0.04 0.42 0.30 0.20 0.00 0.00 0.00 174.94 175.90 1t6v s ASN 71 N 1.14 6.04 -1.10 3.58 0.01 -0.95 -1.79 114.94 121.88 1t6v s ASN 71 Ca 0.02 -0.04 -0.12 0.00 -0.71 0.00 0.00 52.86 52.01 1t6v s ASN 71 Cb -0.14 -1.70 -0.04 0.00 0.41 0.00 0.00 41.25 39.77 1t6v s ASN 71 CO 0.01 -0.05 0.86 0.47 -1.51 0.00 0.00 177.10 176.87 1t6v n ASP 72 N -1.29 -5.74 -4.77 -1.22 8.00 -1.16 -4.90 116.55 105.47 1t6v n ASP 72 Ca -0.09 -0.85 -0.39 0.00 0.71 0.00 0.00 54.79 54.17 1t6v n ASP 72 Cb 0.57 -4.36 -0.01 0.00 -0.02 0.00 0.00 41.12 37.31 1t6v n ASP 72 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1t6v s LEU 73 N -5.94 4.26 0.42 0.64 1.43 -0.24 -4.72 118.68 114.52 1t6v s LEU 73 Ca 0.44 2.60 0.04 0.00 -1.03 0.00 0.00 54.13 56.18 1t6v s LEU 73 Cb -0.10 -3.87 -0.02 0.00 0.03 0.00 0.00 46.19 42.22 1t6v s LEU 73 CO 0.80 -0.75 0.15 0.42 0.23 0.00 0.00 176.35 177.19 1t6v s THR 74 N -1.26 0.50 0.62 5.49 -4.23 -1.26 -0.34 115.64 115.16 1t6v s THR 74 Ca 0.55 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 59.38 1t6v s THR 74 Cb -0.37 -2.30 0.36 0.00 1.34 0.00 0.00 72.50 71.53 1t6v s THR 74 CO 0.48 0.00 2.08 -0.37 -0.54 0.00 0.00 174.62 176.27 1t6v h VAL 75 N 1.75 0.25 0.00 2.29 -1.51 -1.90 -1.42 116.25 115.71 1t6v h VAL 75 Ca -0.34 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.11 1t6v h VAL 75 Cb 1.27 0.80 -0.00 0.00 -2.13 0.00 0.00 31.29 31.23 1t6v h VAL 75 CO 0.54 0.00 -0.12 -0.33 -1.23 0.00 0.00 177.57 176.43 1t6v h GLU 76 N 0.00 0.00 -0.00 5.19 5.08 -1.96 -2.25 114.58 120.64 1t6v h GLU 76 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1t6v h GLU 76 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1t6v h GLU 76 CO -0.00 0.12 -0.11 -0.25 -1.00 0.00 0.00 179.01 177.77 1t6v n ASP 77 N -3.33 0.44 -4.77 1.42 8.00 -0.54 -4.91 116.55 112.87 1t6v n ASP 77 Ca -0.00 -0.53 -0.39 0.00 0.71 0.00 0.00 54.79 54.57 1t6v n ASP 77 Cb 0.32 -0.08 -0.01 0.00 -0.02 0.00 0.00 41.12 41.33 1t6v n ASP 77 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1t6v s GLY 78 N -2.49 2.91 0.00 0.44 0.00 -0.85 -4.85 107.32 102.47 1t6v s GLY 78 Ca 0.28 1.16 0.00 0.00 0.00 0.00 0.00 44.72 46.17 1t6v s GLY 78 CO 0.48 1.73 0.00 0.61 0.00 0.00 0.00 173.10 175.92 1t6v n GLY 79 N 0.66 0.37 3.42 0.20 0.00 -0.52 -2.84 105.19 106.47 1t6v n GLY 79 Ca 0.04 -1.68 -0.32 0.00 0.00 0.00 0.00 46.02 44.07 1t6v n GLY 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t6v s THR 80 N -2.58 2.67 0.03 2.61 2.01 0.59 -0.47 115.64 120.49 1t6v s THR 80 Ca 0.00 -0.93 0.07 0.00 0.31 0.00 0.00 61.69 61.14 1t6v s THR 80 Cb 0.00 -2.02 -0.02 0.00 0.01 0.00 0.00 72.50 70.47 1t6v s THR 80 CO 0.00 0.55 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.97 1t6v s TYR 81 N -0.72 1.80 -0.02 4.92 1.51 -0.49 -0.38 117.35 123.98 1t6v s TYR 81 Ca 0.11 -0.37 0.00 0.00 -1.01 0.00 0.00 57.07 55.81 1t6v s TYR 81 Cb -0.10 -1.09 0.02 0.00 -0.11 0.00 0.00 41.96 40.67 1t6v s TYR 81 CO 0.01 0.06 -0.00 0.50 -1.11 0.00 0.00 175.55 175.00 1t6v s ARG 82 N -1.00 0.21 0.23 -0.62 3.52 -0.01 -0.07 118.95 121.22 1t6v s ARG 82 Ca 0.07 0.04 -0.01 0.00 -0.13 0.00 0.00 55.73 55.71 1t6v s ARG 82 Cb -0.09 -0.35 -0.04 0.00 -1.56 0.00 0.00 34.95 32.91 1t6v s ARG 82 CO 0.01 -0.08 0.43 0.00 -0.81 0.00 0.00 175.30 174.85 1t6v s GLY 84 N -3.31 -0.05 0.15 0.00 0.00 0.95 -0.11 107.32 104.94 1t6v s GLY 84 Ca 0.39 -0.28 -0.30 0.00 0.00 0.00 0.00 44.72 44.53 1t6v s GLY 84 CO 0.30 -0.02 0.96 1.08 0.00 0.00 0.00 173.10 175.42 1t6v s LEU 85 N -2.96 4.55 0.80 0.66 1.43 -0.26 -0.57 118.68 122.33 1t6v s LEU 85 Ca 0.12 1.85 -0.07 0.00 -1.03 0.00 0.00 54.13 55.00 1t6v s LEU 85 Cb -0.05 -3.60 0.14 0.00 0.03 0.00 0.00 46.19 42.72 1t6v s LEU 85 CO 0.07 0.01 1.11 -0.83 0.23 0.00 0.00 176.35 176.93 1t6v s GLY 86 N -0.39 1.76 0.18 -3.19 0.00 -0.27 -4.58 107.32 100.84 1t6v s GLY 86 Ca 0.45 -1.42 0.02 0.00 0.00 0.00 0.00 44.72 43.77 1t6v s GLY 86 CO 0.31 -0.81 0.01 -1.34 0.00 0.00 0.00 173.10 171.27 1t6v s VAL 87 N -3.42 0.66 -2.12 1.40 -7.23 -0.44 -4.64 120.40 104.61 1t6v s VAL 87 Ca 0.68 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.87 1t6v s VAL 87 Cb -0.06 -2.19 0.00 0.00 0.56 0.00 0.00 36.38 34.70 1t6v s VAL 87 CO 0.47 -0.41 0.00 0.00 -0.31 0.00 0.00 175.10 174.85 1t6v n ALA 88 N -0.27 -0.31 -0.07 1.32 0.00 -1.26 -0.47 120.51 119.45 1t6v n ALA 88 Ca -0.06 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1t6v n ALA 88 Cb 0.64 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1t6v n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t6v n GLY 89 N -0.52 0.87 0.00 0.00 0.00 -1.26 -4.63 105.19 99.64 1t6v n GLY 89 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1t6v n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t6v n GLY 90 N -2.05 0.58 3.71 -0.02 0.00 -0.40 -4.89 105.19 102.11 1t6v n GLY 90 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1t6v n GLY 90 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1t6v s TYR 91 N -0.58 3.66 0.07 1.61 5.04 0.38 -4.84 117.35 122.70 1t6v s TYR 91 Ca 0.00 1.66 0.10 0.00 -2.44 0.00 0.00 57.07 56.39 1t6v s TYR 91 Cb 0.00 -3.08 -0.03 0.00 0.35 0.00 0.00 41.96 39.19 1t6v s TYR 91 CO 0.00 0.02 -0.26 0.00 -1.34 0.00 0.00 175.55 173.97 1t6v s ASP 93 N -1.51 -0.06 0.56 0.00 -1.08 -1.26 -5.02 116.67 108.29 1t6v s ASP 93 Ca 0.12 0.08 0.27 0.00 -0.52 0.00 0.00 52.55 52.50 1t6v s ASP 93 Cb -0.10 1.06 1.47 0.00 -1.46 0.00 0.00 42.92 43.89 1t6v s ASP 93 CO 0.03 -0.01 1.99 0.22 0.52 0.00 0.00 175.17 177.92 1t6v h TYR 94 N 6.85 0.00 0.00 -5.34 3.20 -1.97 0.60 116.97 120.31 1t6v h TYR 94 Ca -0.15 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.72 1t6v h TYR 94 Cb 1.13 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.40 1t6v h TYR 94 CO 0.23 0.00 0.00 0.00 -1.64 0.00 0.00 178.16 176.75 1t6v h ALA 95 N 1.67 1.00 -0.17 1.82 0.00 -1.96 -0.01 119.26 121.61 1t6v h ALA 95 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1t6v h ALA 95 Cb 0.98 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1t6v h ALA 95 CO -0.00 0.00 0.11 -0.07 0.00 0.00 0.00 179.25 179.29 1t6v h LEU 96 N 0.00 0.18 -0.85 0.00 3.38 -1.28 -2.86 115.31 113.88 1t6v h LEU 96 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1t6v h LEU 96 Cb 0.24 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1t6v h LEU 96 CO 0.00 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.66 1t6v n SER 98 N -2.27 3.03 -4.86 0.00 7.64 -1.08 -4.61 113.62 111.46 1t6v n SER 98 Ca 0.01 -2.33 -0.21 0.00 1.01 0.00 0.00 58.87 57.35 1t6v n SER 98 Cb 0.20 -0.29 -0.03 0.00 -1.01 0.00 0.00 64.21 63.07 1t6v n SER 98 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1t6v s SER 99 N -1.35 4.96 0.00 6.43 1.04 -0.74 -5.02 113.70 119.02 1t6v s SER 99 Ca 0.26 -0.80 0.20 0.00 0.48 0.00 0.00 55.95 56.09 1t6v s SER 99 Cb 0.17 -0.52 0.97 0.00 0.10 0.00 0.00 66.02 66.74 1t6v s SER 99 CO 0.11 -0.66 1.64 0.54 0.98 0.00 0.00 173.24 175.85 1t6v n ARG 100 N -1.52 0.20 0.00 4.02 1.74 -1.26 -4.13 116.66 115.71 1t6v n ARG 100 Ca 0.03 0.11 0.03 0.00 -0.77 0.00 0.00 57.85 57.25 1t6v n ARG 100 Cb 0.62 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 1t6v n ARG 100 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1t6v n TYR 101 N -1.35 0.00 -3.93 -1.55 4.02 -1.26 -5.03 117.16 108.06 1t6v n TYR 101 Ca 0.08 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.87 1t6v n TYR 101 Cb 0.18 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.49 1t6v n TYR 101 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1t6v s ALA 102 N -1.00 -0.30 0.04 -0.72 0.00 -1.26 -4.88 121.76 113.64 1t6v s ALA 102 Ca 0.05 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.12 1t6v s ALA 102 Cb 0.05 0.91 -0.02 0.00 0.00 0.00 0.00 23.12 24.06 1t6v s ALA 102 CO 0.15 -0.92 -0.08 -1.21 0.00 0.00 0.00 175.76 173.71 1t6v s GLU 103 N -3.09 0.56 0.15 0.00 2.02 -1.26 -4.67 118.70 112.41 1t6v s GLU 103 Ca 0.20 -0.71 0.03 0.00 0.02 0.00 0.00 54.97 54.52 1t6v s GLU 103 Cb -0.03 -0.38 -0.04 0.00 0.10 0.00 0.00 34.13 33.77 1t6v s GLU 103 CO 0.13 0.08 -0.05 0.00 0.02 0.00 0.00 175.26 175.43 1t6v s GLY 105 N -3.15 1.59 0.00 0.00 0.00 0.84 -4.55 107.32 102.06 1t6v s GLY 105 Ca 0.18 -0.61 0.30 0.00 0.00 0.00 0.00 44.72 44.59 1t6v s GLY 105 CO 0.01 0.01 2.08 1.22 0.00 0.00 0.00 173.10 176.41 1t6v n ASP 106 N -3.95 0.00 0.00 1.64 10.43 -1.26 -4.72 116.55 118.69 1t6v n ASP 106 Ca 0.08 -0.29 0.00 0.00 2.57 0.00 0.00 54.79 57.15 1t6v n ASP 106 Cb 0.59 -0.24 0.00 0.00 1.84 0.00 0.00 41.12 43.31 1t6v n ASP 106 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1t6v n GLY 107 N 1.21 1.31 2.96 0.44 0.00 -1.26 -5.01 105.19 104.85 1t6v n GLY 107 Ca 0.16 -1.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.03 1t6v n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t6v s THR 108 N -2.68 1.31 -0.39 2.61 2.01 0.90 -4.47 115.64 114.92 1t6v s THR 108 Ca 0.00 -0.49 -0.22 0.00 0.31 0.00 0.00 61.69 61.30 1t6v s THR 108 Cb 0.00 -1.28 0.01 0.00 0.01 0.00 0.00 72.50 71.24 1t6v s THR 108 CO 0.00 0.40 0.70 0.00 -0.69 0.00 0.00 174.62 175.03 1t6v s ALA 109 N 1.59 3.39 -0.21 7.40 0.00 -0.42 -1.39 121.76 132.12 1t6v s ALA 109 Ca 0.05 -0.90 -0.09 0.00 0.00 0.00 0.00 51.96 51.02 1t6v s ALA 109 Cb -0.13 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 1t6v s ALA 109 CO -0.09 -1.58 0.10 0.08 0.00 0.00 0.00 175.76 174.27 1t6v s VAL 110 N 2.95 4.93 -0.13 0.00 1.01 0.38 -1.63 120.40 127.91 1t6v s VAL 110 Ca 0.27 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.28 1t6v s VAL 110 Cb -0.14 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 1t6v s VAL 110 CO 0.18 0.40 -0.15 -0.89 0.00 0.00 0.00 175.10 174.64 1t6v s THR 111 N 0.77 2.84 -0.24 3.92 2.01 -0.43 -1.44 115.64 123.07 1t6v s THR 111 Ca 0.05 -0.73 -0.03 0.00 0.31 0.00 0.00 61.69 61.29 1t6v s THR 111 Cb -0.13 -2.18 0.01 0.00 0.01 0.00 0.00 72.50 70.21 1t6v s THR 111 CO 0.02 0.53 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.74 1t6v s VAL 112 N 0.45 3.14 -2.00 3.82 1.01 -1.26 -0.85 120.40 124.71 1t6v s VAL 112 Ca -0.11 -0.77 0.16 0.00 0.00 0.00 0.00 61.98 61.27 1t6v s VAL 112 Cb -0.16 -2.51 0.47 0.00 0.00 0.00 0.00 36.38 34.18 1t6v s VAL 112 CO 0.05 0.30 1.39 0.59 0.00 0.00 0.00 175.10 177.43