#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tqz n ALA 2 N 0.00 0.00 -0.97 3.04 0.00 -1.26 -4.98 120.51 116.34 1tqz n ALA 2 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1tqz n ALA 2 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1tqz n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tqz n ALA 3 N -2.54 5.61 -1.51 0.00 0.00 -1.26 -3.39 120.51 117.41 1tqz n ALA 3 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 53.44 51.80 1tqz n ALA 3 Cb 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 19.45 17.65 1tqz n ALA 3 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1tqz n GLU 4 N 1.51 0.00 -3.02 0.00 0.28 -1.26 -4.99 120.64 113.17 1tqz n GLU 4 Ca 0.32 -0.29 -0.15 0.00 -0.16 0.00 0.00 57.16 56.87 1tqz n GLU 4 Cb 0.68 -0.27 -0.03 0.00 1.43 0.00 0.00 31.44 33.25 1tqz n GLU 4 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1tqz n LEU 5 N 0.00 -1.72 -3.61 -1.84 7.94 -1.22 -5.09 117.00 111.46 1tqz n LEU 5 Ca 0.00 -3.80 -0.28 0.00 -1.11 0.00 0.00 56.01 50.82 1tqz n LEU 5 Cb 0.51 0.70 -0.16 0.00 0.53 0.00 0.00 43.42 45.00 1tqz n LEU 5 CO 0.00 1.97 -0.34 -1.83 -1.11 0.00 0.00 177.39 176.08 1tqz s GLU 6 N 0.13 0.25 -0.04 1.96 -1.05 -1.26 -5.05 118.70 113.64 1tqz s GLU 6 Ca 0.32 -0.39 -0.29 0.00 -0.15 0.00 0.00 54.97 54.47 1tqz s GLU 6 Cb 0.11 -1.63 -0.02 0.00 -0.44 0.00 0.00 34.13 32.14 1tqz s GLU 6 CO -0.15 -0.83 0.95 0.71 0.95 0.00 0.00 175.26 176.89 1tqz s TYR 7 N 2.04 3.60 -1.17 4.83 2.02 -1.26 -4.96 117.35 122.44 1tqz s TYR 7 Ca 0.05 1.60 -0.21 0.00 -0.37 0.00 0.00 57.07 58.14 1tqz s TYR 7 Cb -0.16 -3.10 0.04 0.00 -0.40 0.00 0.00 41.96 38.34 1tqz s TYR 7 CO -0.21 -0.07 1.68 -2.00 -1.57 0.00 0.00 175.55 173.38 1tqz s GLU 8 N 1.32 3.61 -0.26 -0.62 -6.30 -1.26 -4.86 118.70 110.33 1tqz s GLU 8 Ca 0.49 -1.52 -0.13 0.00 -2.50 0.00 0.00 54.97 51.31 1tqz s GLU 8 Cb -0.20 -5.42 0.09 0.00 0.00 0.00 0.00 34.13 28.60 1tqz s GLU 8 CO 0.23 -2.49 0.62 -1.54 0.02 0.00 0.00 175.26 172.10 1tqz s SER 9 N 4.95 -0.88 0.22 -1.70 1.04 -1.26 -4.24 113.70 111.84 1tqz s SER 9 Ca 0.54 1.40 -0.08 0.00 0.48 0.00 0.00 55.95 58.29 1tqz s SER 9 Cb 0.02 1.46 0.28 0.00 0.10 0.00 0.00 66.02 67.88 1tqz s SER 9 CO 0.02 -0.23 1.82 -0.37 0.98 0.00 0.00 173.24 175.47 1tqz h VAL 10 N 5.35 0.99 -2.68 5.02 -1.51 -1.88 -3.47 116.25 118.07 1tqz h VAL 10 Ca -0.28 -0.27 -0.17 0.00 -1.23 0.00 0.00 66.70 64.75 1tqz h VAL 10 Cb 1.19 0.14 0.05 0.00 -2.13 0.00 0.00 31.29 30.53 1tqz h VAL 10 CO 0.17 0.14 -0.27 0.00 -1.23 0.00 0.00 177.57 176.38 1tqz n LEU 11 N -4.73 -2.36 -4.78 4.19 -0.00 -1.25 -4.76 117.00 103.31 1tqz n LEU 11 Ca 0.10 -0.18 -0.39 0.00 -0.00 0.00 0.00 56.01 55.54 1tqz n LEU 11 Cb 0.18 -1.55 -0.06 0.00 -0.00 0.00 0.00 43.42 41.99 1tqz n LEU 11 CO 0.30 0.21 0.47 0.00 -0.00 0.00 0.00 177.39 178.36 1tqz s VAL 13 N -1.21 0.03 -0.30 0.00 -7.23 -1.26 -0.68 120.40 109.74 1tqz s VAL 13 Ca 0.37 -0.59 -0.09 0.00 -1.81 0.00 0.00 61.98 59.86 1tqz s VAL 13 Cb -0.22 -1.41 0.19 0.00 0.56 0.00 0.00 36.38 35.49 1tqz s VAL 13 CO 0.25 -0.12 0.95 -0.75 -0.31 0.00 0.00 175.10 175.13 1tqz s LYS 14 N -3.84 0.24 0.47 4.82 2.47 0.10 -4.90 119.74 119.11 1tqz s LYS 14 Ca 0.06 0.30 0.27 0.00 -1.56 0.00 0.00 55.97 55.04 1tqz s LYS 14 Cb -0.01 0.15 1.00 0.00 -1.46 0.00 0.00 37.83 37.51 1tqz s LYS 14 CO -0.06 -0.39 1.85 -1.00 0.16 0.00 0.00 175.35 175.91 1tqz h PRO 15 N 7.62 0.00 -4.30 4.03 0.13 -1.87 0.93 132.00 138.55 1tqz h PRO 15 Ca -0.10 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.37 1tqz h PRO 15 Cb 1.18 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.91 1tqz h PRO 15 CO -0.04 0.15 -0.66 -0.51 -0.23 0.00 0.00 178.00 176.71 1tqz s ASP 16 N -6.05 4.73 0.04 1.44 1.01 -1.26 -4.00 116.67 112.58 1tqz s ASP 16 Ca 0.01 -2.39 -0.26 0.00 0.71 0.00 0.00 52.55 50.63 1tqz s ASP 16 Cb 0.09 -1.66 0.06 0.00 1.01 0.00 0.00 42.92 42.42 1tqz s ASP 16 CO 0.61 -0.36 0.60 0.54 0.21 0.00 0.00 175.17 176.77 1tqz s VAL 17 N 0.59 0.01 -0.02 -1.27 0.11 -1.10 -4.94 120.40 113.78 1tqz s VAL 17 Ca 0.12 -0.10 0.08 0.00 -2.93 0.00 0.00 61.98 59.16 1tqz s VAL 17 Cb -0.21 -0.98 -0.02 0.00 -1.53 0.00 0.00 36.38 33.63 1tqz s VAL 17 CO -0.05 -0.05 -0.25 -0.55 -3.33 0.00 0.00 175.10 170.86 1tqz s SER 18 N -1.86 2.99 0.02 3.54 0.15 -1.26 -2.31 113.70 114.97 1tqz s SER 18 Ca -0.06 -0.46 0.03 0.00 0.70 0.00 0.00 55.95 56.15 1tqz s SER 18 Cb -0.01 -0.35 -0.02 0.00 -1.71 0.00 0.00 66.02 63.94 1tqz s SER 18 CO -0.00 0.31 -0.08 0.54 1.20 0.00 0.00 173.24 175.21 1tqz s VAL 19 N -0.58 0.62 0.23 4.45 0.11 -0.72 -2.49 120.40 122.02 1tqz s VAL 19 Ca 0.09 -0.74 0.08 0.00 -2.93 0.00 0.00 61.98 58.48 1tqz s VAL 19 Cb -0.10 -0.60 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 1tqz s VAL 19 CO -0.01 -0.11 0.08 -0.31 -3.33 0.00 0.00 175.10 171.42 1tqz s TYR 20 N -0.80 2.91 0.08 1.54 1.51 0.42 -0.42 117.35 122.59 1tqz s TYR 20 Ca -0.03 -0.15 0.05 0.00 -1.01 0.00 0.00 57.07 55.93 1tqz s TYR 20 Cb -0.07 -1.33 -0.03 0.00 -0.11 0.00 0.00 41.96 40.42 1tqz s TYR 20 CO 0.00 0.56 -0.13 0.50 -1.11 0.00 0.00 175.55 175.37 1tqz s ARG 21 N -3.52 0.82 -0.39 -0.62 3.52 -1.24 -2.84 118.95 114.68 1tqz s ARG 21 Ca 0.31 -1.00 0.03 0.00 -0.13 0.00 0.00 55.73 54.94 1tqz s ARG 21 Cb -0.08 -0.74 0.16 0.00 -1.56 0.00 0.00 34.95 32.73 1tqz s ARG 21 CO 0.22 0.15 0.30 0.42 -0.81 0.00 0.00 175.30 175.58 1tqz s ILE 22 N -1.57 0.28 0.22 4.11 1.01 -1.26 -4.69 121.20 119.31 1tqz s ILE 22 Ca -0.00 -2.39 -0.17 0.00 0.00 0.00 0.00 60.65 58.09 1tqz s ILE 22 Cb -0.08 -1.22 0.23 0.00 0.01 0.00 0.00 42.46 41.39 1tqz s ILE 22 CO 0.02 -1.17 1.57 -0.65 0.00 0.00 0.00 174.94 174.71 1tqz h PRO 23 N 6.03 -0.05 0.00 2.79 0.10 -1.99 -3.41 132.00 135.46 1tqz h PRO 23 Ca 0.21 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.31 1tqz h PRO 23 Cb 0.93 0.01 0.00 0.00 0.10 0.00 0.00 31.00 32.04 1tqz h PRO 23 CO 0.34 -0.03 0.00 -0.35 0.10 0.00 0.00 178.00 178.06 1tqz n PRO 24 N -5.47 -0.41 -2.68 1.05 -0.04 -1.26 -5.07 135.00 121.11 1tqz n PRO 24 Ca 0.09 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.50 1tqz n PRO 24 Cb 0.39 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 33.90 1tqz n PRO 24 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1tqz n ARG 25 N -1.02 0.21 0.00 0.54 3.00 -1.26 -5.01 116.66 113.13 1tqz n ARG 25 Ca 0.00 -0.94 0.00 0.00 -0.00 0.00 0.00 57.85 56.91 1tqz n ARG 25 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 32.46 32.17 1tqz n ARG 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1tqz n ALA 26 N 2.12 2.44 -3.65 5.13 0.00 -1.26 -4.65 120.51 120.63 1tqz n ALA 26 Ca 0.08 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.54 1tqz n ALA 26 Cb 0.66 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.05 1tqz n ALA 26 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1tqz s SER 27 N 0.76 -0.06 0.47 0.00 0.15 -1.26 -5.02 113.70 108.73 1tqz s SER 27 Ca 0.00 0.10 0.30 0.00 0.70 0.00 0.00 55.95 57.05 1tqz s SER 27 Cb 0.00 1.02 1.38 0.00 -1.71 0.00 0.00 66.02 66.71 1tqz s SER 27 CO 0.00 -0.02 1.72 0.78 1.20 0.00 0.00 173.24 176.93 1tqz h ASN 28 N 5.11 0.22 -5.06 5.45 4.21 -2.03 -3.41 115.58 120.07 1tqz h ASN 28 Ca -0.26 0.07 -0.11 0.00 1.21 0.00 0.00 56.30 57.20 1tqz h ASN 28 Cb 1.16 0.04 -0.18 0.00 -1.12 0.00 0.00 38.32 38.22 1tqz h ASN 28 CO 0.23 -0.02 -0.41 0.00 -1.29 0.00 0.00 177.43 175.94 1tqz s ARG 29 N -5.22 0.67 0.61 0.81 1.70 -1.26 -5.15 118.95 111.10 1tqz s ARG 29 Ca -0.07 -0.61 -0.18 0.00 -0.47 0.00 0.00 55.73 54.39 1tqz s ARG 29 Cb 0.26 0.28 -0.03 0.00 -0.57 0.00 0.00 34.95 34.89 1tqz s ARG 29 CO 0.82 -0.19 1.21 0.20 -1.08 0.00 0.00 175.30 176.26 1tqz s GLY 30 N -2.02 2.70 -0.29 3.88 0.00 -1.26 -5.04 107.32 105.29 1tqz s GLY 30 Ca -0.06 1.00 -0.15 0.00 0.00 0.00 0.00 44.72 45.50 1tqz s GLY 30 CO -0.03 1.39 0.90 -0.47 0.00 0.00 0.00 173.10 174.89 1tqz s TYR 31 N -1.63 -0.74 -0.58 1.90 6.14 -1.26 -5.02 117.35 116.16 1tqz s TYR 31 Ca 0.77 1.41 -0.00 0.00 0.64 0.00 0.00 57.07 59.89 1tqz s TYR 31 Cb -0.30 0.44 -0.00 0.00 0.42 0.00 0.00 41.96 42.51 1tqz s TYR 31 CO 0.34 -0.36 0.54 0.54 0.64 0.00 0.00 175.55 177.25 1tqz n ARG 32 N 4.18 -1.06 -0.35 4.97 5.12 -1.26 -4.74 116.66 123.52 1tqz n ARG 32 Ca -0.17 1.20 0.02 0.00 -1.93 0.00 0.00 57.85 56.97 1tqz n ARG 32 Cb 0.56 -4.71 0.18 0.00 -1.16 0.00 0.00 32.46 27.33 1tqz n ARG 32 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1tqz h ALA 33 N 0.31 1.40 -0.36 7.54 0.00 -1.91 -0.29 119.26 125.95 1tqz h ALA 33 Ca -0.04 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.93 1tqz h ALA 33 Cb 1.02 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1tqz h ALA 33 CO 0.24 0.48 0.41 0.77 0.00 0.00 0.00 179.25 181.15 1tqz h SER 34 N 1.18 0.00 0.33 0.00 0.02 -1.91 0.45 113.55 113.61 1tqz h SER 34 Ca 0.40 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.24 1tqz h SER 34 Cb 0.07 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 1tqz h SER 34 CO -0.13 0.00 -1.77 -0.67 -1.14 0.00 0.00 176.83 173.12 1tqz n ASP 35 N -3.69 0.33 0.00 3.07 2.03 -0.21 -4.37 116.55 113.72 1tqz n ASP 35 Ca 0.06 0.14 -0.17 0.00 0.52 0.00 0.00 54.79 55.34 1tqz n ASP 35 Cb 0.57 1.15 -0.11 0.00 -0.72 0.00 0.00 41.12 42.01 1tqz n ASP 35 CO 0.00 0.00 0.00 -0.25 -1.92 0.00 0.00 177.20 175.03 1tqz h TRP 36 N 0.00 0.57 -3.66 -0.67 -0.00 0.74 -3.50 115.95 109.42 1tqz h TRP 36 Ca -0.14 -0.31 0.00 0.00 -0.00 0.00 0.00 58.89 58.44 1tqz h TRP 36 Cb 1.35 -0.06 0.00 0.00 -0.00 0.00 0.00 29.16 30.45 1tqz h TRP 36 CO 0.00 1.14 -0.95 1.17 -0.00 0.00 0.00 178.44 179.80 1tqz n LYS 37 N -4.24 -4.07 -2.67 2.65 0.00 0.21 -5.02 118.16 105.01 1tqz n LYS 37 Ca -0.10 3.15 -0.04 0.00 0.00 0.00 0.00 58.31 61.32 1tqz n LYS 37 Cb 0.66 -3.92 0.11 0.00 0.00 0.00 0.00 35.03 31.88 1tqz n LYS 37 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1tqz n LEU 38 N -2.48 -1.34 0.09 3.14 -0.00 -1.26 -5.00 117.00 110.15 1tqz n LEU 38 Ca 0.00 -1.99 0.13 0.00 -0.00 0.00 0.00 56.01 54.15 1tqz n LEU 38 Cb 0.44 0.91 0.34 0.00 -0.00 0.00 0.00 43.42 45.11 1tqz n LEU 38 CO 0.00 1.63 0.74 -0.90 -0.00 0.00 0.00 177.39 178.86 1tqz n ASP 39 N 0.68 0.79 -0.03 1.45 5.75 -1.26 -4.25 116.55 119.67 1tqz n ASP 39 Ca -0.03 0.45 -0.02 0.00 -0.01 0.00 0.00 54.79 55.18 1tqz n ASP 39 Cb 0.74 -0.54 -0.01 0.00 -1.03 0.00 0.00 41.12 40.29 1tqz n ASP 39 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 1tqz h GLN 40 N 0.00 0.00 -5.93 0.11 4.20 -1.99 -3.44 115.11 108.06 1tqz h GLN 40 Ca 0.00 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.21 1tqz h GLN 40 Cb 0.74 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.49 1tqz h GLN 40 CO 0.00 0.00 1.40 -1.25 -0.67 0.00 0.00 178.83 178.31 1tqz s PRO 41 N -1.57 2.56 -0.37 1.46 0.04 -1.26 -4.75 135.00 131.11 1tqz s PRO 41 Ca -0.07 0.80 -0.02 0.00 0.04 0.00 0.00 61.00 61.75 1tqz s PRO 41 Cb 0.01 -4.42 0.24 0.00 0.04 0.00 0.00 34.50 30.37 1tqz s PRO 41 CO 0.10 -2.79 1.09 -0.40 0.04 0.00 0.00 177.00 175.04 1tqz n ASP 42 N 13.22 -1.76 -4.78 6.66 5.68 -1.25 -3.63 116.55 130.68 1tqz n ASP 42 Ca 0.23 -1.70 -0.30 0.00 -0.50 0.00 0.00 54.79 52.53 1tqz n ASP 42 Cb 0.52 0.95 0.10 0.00 -1.14 0.00 0.00 41.12 41.55 1tqz n ASP 42 CO 0.00 0.00 0.00 -1.66 -1.33 0.00 0.00 177.20 174.21 1tqz s TRP 43 N 0.63 2.71 -0.03 2.11 1.48 0.45 -4.75 118.94 121.53 1tqz s TRP 43 Ca 0.26 1.26 0.07 0.00 -1.06 0.00 0.00 56.10 56.63 1tqz s TRP 43 Cb 0.15 -3.09 -0.01 0.00 -1.16 0.00 0.00 33.47 29.36 1tqz s TRP 43 CO -0.11 -1.86 -0.24 -0.08 -4.06 0.00 0.00 176.95 170.60 1tqz s THR 44 N -3.05 1.90 -0.46 0.66 -1.32 -1.26 -1.75 115.64 110.35 1tqz s THR 44 Ca 0.61 -1.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.08 1tqz s THR 44 Cb -0.16 -1.59 0.00 0.00 -1.51 0.00 0.00 72.50 69.25 1tqz s THR 44 CO 0.55 0.53 0.00 0.61 -2.21 0.00 0.00 174.62 174.11 1tqz n GLY 45 N 2.68 -0.79 3.72 6.08 0.00 -0.98 -4.94 105.19 110.97 1tqz n GLY 45 Ca -0.16 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 44.80 1tqz n GLY 45 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1tqz s ARG 46 N -0.18 3.57 0.02 1.61 3.00 -0.99 -2.72 118.95 123.26 1tqz s ARG 46 Ca 0.00 -0.29 0.07 0.00 -1.00 0.00 0.00 55.73 54.51 1tqz s ARG 46 Cb 0.00 -3.10 -0.02 0.00 0.00 0.00 0.00 34.95 31.83 1tqz s ARG 46 CO 0.00 0.54 -0.21 -1.17 0.00 0.00 0.00 175.30 174.45 1tqz s LEU 47 N -0.37 2.12 0.31 -0.88 2.96 0.32 -2.96 118.68 120.17 1tqz s LEU 47 Ca 0.09 -0.47 -0.20 0.00 -0.22 0.00 0.00 54.13 53.33 1tqz s LEU 47 Cb -0.12 -1.05 0.03 0.00 0.50 0.00 0.00 46.19 45.55 1tqz s LEU 47 CO 0.02 0.21 0.73 0.00 -1.32 0.00 0.00 176.35 175.99 1tqz s ARG 48 N -0.91 1.89 0.06 1.98 1.70 -0.81 0.03 118.95 122.89 1tqz s ARG 48 Ca 0.08 -1.10 -0.14 0.00 -0.47 0.00 0.00 55.73 54.10 1tqz s ARG 48 Cb -0.09 0.61 0.02 0.00 -0.57 0.00 0.00 34.95 34.93 1tqz s ARG 48 CO 0.01 -0.87 0.31 0.96 -1.08 0.00 0.00 175.30 174.63 1tqz s ILE 49 N -3.53 0.09 0.21 4.99 -4.36 0.14 -1.59 121.20 117.15 1tqz s ILE 49 Ca 0.12 -0.71 -0.23 0.00 -0.26 0.00 0.00 60.65 59.58 1tqz s ILE 49 Cb -0.06 -1.03 0.04 0.00 1.25 0.00 0.00 42.46 42.67 1tqz s ILE 49 CO 0.08 -0.39 0.76 0.42 0.24 0.00 0.00 174.94 176.05 1tqz s THR 50 N -2.92 0.00 -0.04 8.37 -4.23 -0.57 -2.26 115.64 114.00 1tqz s THR 50 Ca -0.02 -0.69 -0.00 0.00 -1.18 0.00 0.00 61.69 59.79 1tqz s THR 50 Cb 0.00 -1.77 0.03 0.00 1.34 0.00 0.00 72.50 72.11 1tqz s THR 50 CO -0.06 0.00 0.01 -0.94 -0.54 0.00 0.00 174.62 173.09 1tqz s SER 51 N -2.87 0.64 0.06 3.99 1.04 -1.26 -0.81 113.70 114.50 1tqz s SER 51 Ca 0.09 -0.02 -0.34 0.00 0.48 0.00 0.00 55.95 56.16 1tqz s SER 51 Cb -0.04 -0.23 -0.20 0.00 0.10 0.00 0.00 66.02 65.66 1tqz s SER 51 CO 0.02 -0.13 1.59 0.50 0.98 0.00 0.00 173.24 176.20 1tqz h LYS 52 N 7.54 -1.02 0.00 4.02 3.64 -1.75 -3.37 116.57 125.63 1tqz h LYS 52 Ca -0.36 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1tqz h LYS 52 Cb 1.13 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 1tqz h LYS 52 CO 0.41 -0.68 0.00 0.41 -2.27 0.00 0.00 179.45 177.32 1tqz n GLY 53 N -1.52 -1.87 0.04 5.01 0.00 -1.26 -4.70 105.19 100.89 1tqz n GLY 53 Ca -0.15 0.57 0.11 0.00 0.00 0.00 0.00 46.02 46.56 1tqz n GLY 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1tqz n LYS 54 N -2.38 0.33 -3.97 1.61 4.01 -1.26 -4.92 118.16 111.58 1tqz n LYS 54 Ca 0.00 -0.00 -0.22 0.00 -0.51 0.00 0.00 58.31 57.57 1tqz n LYS 54 Cb 0.00 -1.61 -0.05 0.00 -0.51 0.00 0.00 35.03 32.86 1tqz n LYS 54 CO 0.00 0.00 0.00 1.51 -1.11 0.00 0.00 177.40 177.80 1tqz n ILE 55 N -2.03 0.00 -3.73 -0.18 0.13 -1.26 -4.81 119.36 107.48 1tqz n ILE 55 Ca 0.01 -1.85 -0.10 0.00 -1.10 0.00 0.00 62.75 59.71 1tqz n ILE 55 Cb 0.45 0.52 -0.06 0.00 -0.84 0.00 0.00 39.64 39.71 1tqz n ILE 55 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1tqz s ALA 56 N -2.77 -0.66 -0.06 1.51 0.00 -1.25 -3.10 121.76 115.43 1tqz s ALA 56 Ca 0.08 -0.18 -0.30 0.00 0.00 0.00 0.00 51.96 51.56 1tqz s ALA 56 Cb 0.00 0.51 0.08 0.00 0.00 0.00 0.00 23.12 23.71 1tqz s ALA 56 CO 0.06 -0.53 0.75 1.52 0.00 0.00 0.00 175.76 177.56 1tqz s TYR 57 N -3.39 -0.58 -0.17 0.00 -0.85 0.01 -1.86 117.35 110.52 1tqz s TYR 57 Ca 0.01 0.94 -0.07 0.00 -0.52 0.00 0.00 57.07 57.43 1tqz s TYR 57 Cb 0.02 0.43 -0.04 0.00 0.38 0.00 0.00 41.96 42.75 1tqz s TYR 57 CO -0.09 -0.56 0.05 0.96 -1.52 0.00 0.00 175.55 174.39 1tqz s ILE 58 N -1.39 4.73 -0.10 -3.49 -5.25 -1.17 -1.51 121.20 113.03 1tqz s ILE 58 Ca -0.08 -0.06 -0.00 0.00 -0.99 0.00 0.00 60.65 59.52 1tqz s ILE 58 Cb -0.00 -3.11 -0.03 0.00 2.95 0.00 0.00 42.46 42.27 1tqz s ILE 58 CO 0.06 0.48 -0.08 -0.54 -1.79 0.00 0.00 174.94 173.07 1tqz s LYS 59 N 0.19 3.05 0.03 0.37 -0.14 -0.62 -1.95 119.74 120.67 1tqz s LYS 59 Ca 0.04 -0.59 -0.01 0.00 -1.36 0.00 0.00 55.97 54.05 1tqz s LYS 59 Cb -0.12 -2.65 -0.03 0.00 -1.68 0.00 0.00 37.83 33.35 1tqz s LYS 59 CO 0.01 0.48 -0.01 -0.48 -0.76 0.00 0.00 175.35 174.59 1tqz s LEU 60 N -0.31 2.25 0.00 3.17 0.05 -0.65 -1.93 118.68 121.26 1tqz s LEU 60 Ca 0.04 -0.69 0.00 0.00 0.05 0.00 0.00 54.13 53.53 1tqz s LEU 60 Cb -0.13 0.23 0.00 0.00 -2.05 0.00 0.00 46.19 44.25 1tqz s LEU 60 CO 0.02 -0.45 0.00 -1.84 -0.55 0.00 0.00 176.35 173.53 1tqz n GLU 61 N 0.88 -2.28 -2.66 1.48 -0.00 -1.16 -2.57 120.64 114.34 1tqz n GLU 61 Ca -0.19 0.00 -0.43 0.00 -0.00 0.00 0.00 57.16 56.54 1tqz n GLU 61 Cb 0.58 0.00 -0.02 0.00 -0.00 0.00 0.00 31.44 32.00 1tqz n GLU 61 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1tqz s ASP 62 N -1.52 6.92 0.00 -1.84 2.15 -1.26 -2.35 116.67 118.78 1tqz s ASP 62 Ca 0.00 1.04 0.05 0.00 0.43 0.00 0.00 52.55 54.06 1tqz s ASP 62 Cb 0.00 -2.54 0.27 0.00 -0.30 0.00 0.00 42.92 40.36 1tqz s ASP 62 CO 0.00 -0.86 0.64 1.17 -0.17 0.00 0.00 175.17 175.95 1tqz n LYS 63 N 6.81 0.30 -0.05 4.34 3.00 -1.26 -3.02 118.16 128.29 1tqz n LYS 63 Ca 0.12 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.27 1tqz n LYS 63 Cb 0.47 -1.24 -0.13 0.00 0.00 0.00 0.00 35.03 34.13 1tqz n LYS 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1tqz h VAL 64 N 0.00 1.73 0.00 3.15 2.07 -1.96 -3.47 116.25 117.77 1tqz h VAL 64 Ca 0.00 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.17 1tqz h VAL 64 Cb 0.00 3.32 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 1tqz h VAL 64 CO 0.00 0.62 0.00 -1.20 0.02 0.00 0.00 177.57 177.01 1tqz n SER 65 N -4.52 0.00 0.00 0.57 7.64 -1.17 -5.16 113.62 110.98 1tqz n SER 65 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.77 1tqz n SER 65 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1tqz n SER 65 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tqz n GLY 66 N -0.25 2.94 0.07 0.23 0.00 -1.20 -5.05 105.19 101.93 1tqz n GLY 66 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1tqz n GLY 66 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1tqz n GLU 67 N 0.75 0.00 0.09 1.61 1.02 -1.26 -5.02 120.64 117.82 1tqz n GLU 67 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 1tqz n GLU 67 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 1tqz n GLU 67 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1tqz h LEU 68 N 0.00 -0.64 -0.31 -4.62 3.38 -1.99 -3.49 115.31 107.63 1tqz h LEU 68 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1tqz h LEU 68 Cb 0.00 0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1tqz h LEU 68 CO 0.00 -0.26 -0.26 0.33 0.09 0.00 0.00 178.44 178.33 1tqz n PHE 69 N -3.70 -1.30 -3.57 1.13 7.35 -1.26 -5.12 117.46 110.98 1tqz n PHE 69 Ca -0.04 0.69 -0.07 0.00 -0.76 0.00 0.00 57.45 57.27 1tqz n PHE 69 Cb 0.19 -1.90 -0.03 0.00 0.35 0.00 0.00 39.48 38.09 1tqz n PHE 69 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1tqz s ALA 70 N -1.92 -1.98 0.23 3.13 0.00 -1.06 -5.03 121.76 115.13 1tqz s ALA 70 Ca 0.00 1.48 -0.21 0.00 0.00 0.00 0.00 51.96 53.23 1tqz s ALA 70 Cb 0.00 -0.29 0.07 0.00 0.00 0.00 0.00 23.12 22.90 1tqz s ALA 70 CO 0.00 -0.51 0.95 1.14 0.00 0.00 0.00 175.76 177.34 1tqz s GLN 71 N -2.12 1.53 -0.32 0.00 -2.07 -1.26 -1.63 119.66 113.79 1tqz s GLN 71 Ca 0.06 -0.95 -0.01 0.00 -1.82 0.00 0.00 55.36 52.64 1tqz s GLN 71 Cb -0.01 0.45 0.13 0.00 -1.09 0.00 0.00 33.01 32.49 1tqz s GLN 71 CO -0.05 -0.71 0.24 0.00 -1.32 0.00 0.00 175.29 173.45 1tqz s ALA 72 N -2.54 0.27 0.71 2.60 0.00 -0.82 -5.02 121.76 116.95 1tqz s ALA 72 Ca 0.18 -1.12 -0.14 0.00 0.00 0.00 0.00 51.96 50.88 1tqz s ALA 72 Cb -0.03 -1.67 0.02 0.00 0.00 0.00 0.00 23.12 21.45 1tqz s ALA 72 CO 0.06 -1.89 1.12 -1.25 0.00 0.00 0.00 175.76 173.80 1tqz s PRO 73 N 1.73 2.52 0.14 0.00 0.04 -1.26 -3.02 135.00 135.15 1tqz s PRO 73 Ca 0.13 1.37 -0.00 0.00 0.04 0.00 0.00 61.00 62.54 1tqz s PRO 73 Cb -0.17 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1tqz s PRO 73 CO -0.19 -1.47 0.04 0.14 0.04 0.00 0.00 177.00 175.57 1tqz s VAL 74 N -2.47 0.22 -1.10 -0.36 -7.23 -0.78 -4.94 120.40 103.74 1tqz s VAL 74 Ca 0.66 -1.92 0.19 0.00 -1.81 0.00 0.00 61.98 59.10 1tqz s VAL 74 Cb -0.20 -2.05 0.20 0.00 0.56 0.00 0.00 36.38 34.89 1tqz s VAL 74 CO 0.46 -0.47 1.62 1.21 -0.31 0.00 0.00 175.10 177.61 1tqz n GLU 75 N -0.12 0.07 -1.30 4.82 4.07 -1.26 -3.90 120.64 123.01 1tqz n GLU 75 Ca -0.06 0.15 0.00 0.00 -0.06 0.00 0.00 57.16 57.19 1tqz n GLU 75 Cb 0.64 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.52 1tqz n GLU 75 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 1tqz n GLN 76 N -1.45 -3.69 0.00 5.31 0.00 -1.26 -4.70 117.38 111.59 1tqz n GLN 76 Ca 0.06 2.71 0.00 0.00 -0.00 0.00 0.00 57.00 59.77 1tqz n GLN 76 Cb 0.21 -3.02 0.00 0.00 0.00 0.00 0.00 30.24 27.43 1tqz n GLN 76 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 1tqz n TYR 77 N -0.39 0.00 -1.02 3.69 4.19 -1.26 -4.94 117.16 117.43 1tqz n TYR 77 Ca 0.00 0.00 -0.31 0.00 3.31 0.00 0.00 57.90 60.90 1tqz n TYR 77 Cb 0.00 0.00 -0.02 0.00 0.49 0.00 0.00 39.34 39.81 1tqz n TYR 77 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1tqz n PRO 78 N 0.00 2.46 -2.46 2.98 -0.04 -1.26 -4.91 135.00 131.77 1tqz n PRO 78 Ca 0.00 -1.79 -0.42 0.00 -0.04 0.00 0.00 63.50 61.24 1tqz n PRO 78 Cb 0.00 -2.68 -0.03 0.00 -0.04 0.00 0.00 33.50 30.76 1tqz n PRO 78 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1tqz s GLY 79 N 3.33 2.01 0.00 0.55 0.00 -1.26 -4.10 107.32 107.85 1tqz s GLY 79 Ca 0.50 0.57 0.00 0.00 0.00 0.00 0.00 44.72 45.79 1tqz s GLY 79 CO -0.02 2.26 0.00 4.51 0.00 0.00 0.00 173.10 179.84 1tqz n ILE 80 N 4.77 0.00 -1.73 0.90 0.13 -1.26 -5.02 119.36 117.15 1tqz n ILE 80 Ca 0.11 0.00 -0.00 0.00 -1.10 0.00 0.00 62.75 61.76 1tqz n ILE 80 Cb 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.26 1tqz n ILE 80 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1tqz n ALA 81 N -3.00 -1.87 -3.62 1.51 0.00 -1.26 -4.07 120.51 108.20 1tqz n ALA 81 Ca 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 53.44 53.40 1tqz n ALA 81 Cb 0.00 -0.29 -0.08 0.00 0.00 0.00 0.00 19.45 19.08 1tqz n ALA 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1tqz s VAL 82 N -2.72 -0.70 0.33 0.00 -7.23 -1.26 0.11 120.40 108.92 1tqz s VAL 82 Ca 0.01 0.12 -0.06 0.00 -1.81 0.00 0.00 61.98 60.24 1tqz s VAL 82 Cb -0.00 -0.73 0.03 0.00 0.56 0.00 0.00 36.38 36.24 1tqz s VAL 82 CO 0.12 0.04 0.54 1.21 -0.31 0.00 0.00 175.10 176.70 1tqz n GLU 83 N 5.40 0.77 -0.03 4.82 2.13 -1.07 -5.02 120.64 127.64 1tqz n GLU 83 Ca -0.08 -2.26 0.00 0.00 0.66 0.00 0.00 57.16 55.47 1tqz n GLU 83 Cb 0.49 2.41 0.00 0.00 0.27 0.00 0.00 31.44 34.61 1tqz n GLU 83 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1tqz n THR 84 N -0.49 0.00 -2.22 6.31 -2.24 -1.26 -1.37 114.28 113.00 1tqz n THR 84 Ca -0.03 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 1tqz n THR 84 Cb 0.52 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.72 1tqz n THR 84 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1tqz s VAL 85 N -0.57 3.72 0.28 2.28 -7.23 -1.26 -4.79 120.40 112.83 1tqz s VAL 85 Ca 0.00 0.70 -0.03 0.00 -1.81 0.00 0.00 61.98 60.84 1tqz s VAL 85 Cb 0.00 -4.04 0.26 0.00 0.56 0.00 0.00 36.38 33.16 1tqz s VAL 85 CO 0.00 -0.71 1.95 0.74 -0.31 0.00 0.00 175.10 176.77 1tqz h THR 86 N 6.59 1.23 -0.45 5.32 2.02 -1.94 -1.78 112.91 123.90 1tqz h THR 86 Ca -0.29 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.46 1tqz h THR 86 Cb 1.13 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1tqz h THR 86 CO 1.09 0.22 0.00 0.47 0.37 0.00 0.00 175.52 177.67 1tqz n ASP 87 N -4.40 2.96 -2.09 4.18 9.92 -1.26 -4.95 116.55 120.91 1tqz n ASP 87 Ca 0.10 -1.95 -0.01 0.00 -0.53 0.00 0.00 54.79 52.41 1tqz n ASP 87 Cb 0.03 -0.29 -0.00 0.00 -0.64 0.00 0.00 41.12 40.21 1tqz n ASP 87 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1tqz n SER 88 N 1.13 -7.05 0.00 -2.24 2.88 -0.67 -4.93 113.62 102.74 1tqz n SER 88 Ca 0.19 1.41 0.00 0.00 -1.33 0.00 0.00 58.87 59.14 1tqz n SER 88 Cb 0.50 -4.29 0.00 0.00 -0.75 0.00 0.00 64.21 59.66 1tqz n SER 88 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1tqz n SER 89 N 1.41 0.00 0.00 -3.46 2.88 -1.26 -4.83 113.62 108.36 1tqz n SER 89 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1tqz n SER 89 Cb 0.06 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 1tqz n SER 89 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1tqz n ARG 90 N -0.63 0.00 -2.42 -1.46 -4.01 -1.26 -5.09 116.66 101.80 1tqz n ARG 90 Ca 0.00 0.00 -0.01 0.00 -1.04 0.00 0.00 57.85 56.80 1tqz n ARG 90 Cb 0.00 0.00 0.01 0.00 -3.04 0.00 0.00 32.46 29.43 1tqz n ARG 90 CO 0.00 0.00 0.00 2.48 -3.04 0.00 0.00 177.63 177.07 1tqz n TYR 91 N 0.00 -0.83 -3.96 2.89 4.11 -1.26 -4.95 117.16 113.16 1tqz n TYR 91 Ca 0.00 -0.48 -0.08 0.00 -0.00 0.00 0.00 57.90 57.33 1tqz n TYR 91 Cb 0.00 0.23 -0.09 0.00 -0.00 0.00 0.00 39.34 39.49 1tqz n TYR 91 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.86 176.27 1tqz s PHE 92 N -4.31 0.29 0.19 -3.48 -0.12 -1.15 -3.99 117.98 105.41 1tqz s PHE 92 Ca 0.09 -0.72 0.11 0.00 -0.05 0.00 0.00 56.93 56.36 1tqz s PHE 92 Cb -0.01 -0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.14 1tqz s PHE 92 CO 0.02 -0.43 -0.24 0.14 -0.05 0.00 0.00 175.22 174.66 1tqz s VAL 93 N -3.49 2.38 0.00 -2.49 -7.23 -0.47 -0.74 120.40 108.36 1tqz s VAL 93 Ca 0.03 -1.99 -0.03 0.00 -1.81 0.00 0.00 61.98 58.18 1tqz s VAL 93 Cb 0.04 -2.13 -0.01 0.00 0.56 0.00 0.00 36.38 34.84 1tqz s VAL 93 CO -0.09 -0.09 0.04 -0.51 -0.31 0.00 0.00 175.10 174.15 1tqz s ILE 94 N -1.60 0.08 0.30 -0.62 -1.16 0.64 -2.59 121.20 116.25 1tqz s ILE 94 Ca 0.20 -0.64 -0.05 0.00 -0.51 0.00 0.00 60.65 59.66 1tqz s ILE 94 Cb -0.08 -0.28 -0.00 0.00 0.61 0.00 0.00 42.46 42.70 1tqz s ILE 94 CO 0.10 -0.35 0.43 0.00 -2.81 0.00 0.00 174.94 172.31 1tqz s ARG 95 N -1.10 1.73 0.05 3.50 1.70 0.29 -1.10 118.95 124.02 1tqz s ARG 95 Ca -0.12 -1.61 0.04 0.00 -0.47 0.00 0.00 55.73 53.56 1tqz s ARG 95 Cb -0.07 0.43 -0.02 0.00 -0.57 0.00 0.00 34.95 34.71 1tqz s ARG 95 CO 0.00 -0.70 -0.11 0.42 -1.08 0.00 0.00 175.30 173.83 1tqz s ILE 96 N -3.44 0.82 0.05 4.99 1.01 -0.13 -4.40 121.20 120.10 1tqz s ILE 96 Ca 0.30 -1.06 0.03 0.00 0.00 0.00 0.00 60.65 59.92 1tqz s ILE 96 Cb 0.00 -0.81 -0.02 0.00 0.01 0.00 0.00 42.46 41.64 1tqz s ILE 96 CO 0.16 -0.21 -0.10 -1.58 0.00 0.00 0.00 174.94 173.21 1tqz s GLN 97 N -1.42 0.65 -0.08 2.79 0.74 -1.26 -1.22 119.66 119.87 1tqz s GLN 97 Ca -0.04 -0.79 -0.30 0.00 0.05 0.00 0.00 55.36 54.28 1tqz s GLN 97 Cb -0.09 -0.54 0.11 0.00 1.10 0.00 0.00 33.01 33.59 1tqz s GLN 97 CO 0.01 0.11 0.91 0.16 -0.55 0.00 0.00 175.29 175.93 1tqz s ASP 98 N -1.50 -0.41 0.00 6.67 -4.77 -0.44 -4.53 116.67 111.68 1tqz s ASP 98 Ca -0.06 0.29 0.00 0.00 -3.30 0.00 0.00 52.55 49.48 1tqz s ASP 98 Cb -0.09 0.37 0.00 0.00 -1.09 0.00 0.00 42.92 42.11 1tqz s ASP 98 CO 0.01 -0.49 0.00 0.61 0.70 0.00 0.00 175.17 176.00 1tqz n GLY 99 N 0.37 1.53 1.24 2.12 0.00 -1.26 -2.35 105.19 106.84 1tqz n GLY 99 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1tqz n GLY 99 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1tqz n THR 100 N -1.43 0.00 0.00 2.61 -1.04 -1.26 -4.86 114.28 108.30 1tqz n THR 100 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1tqz n THR 100 Cb 0.00 -1.44 0.00 0.00 -1.82 0.00 0.00 70.33 67.07 1tqz n THR 100 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1tqz n GLY 101 N -0.50 0.00 3.15 3.41 0.00 -1.15 -5.12 105.19 104.98 1tqz n GLY 101 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1tqz n GLY 101 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tqz s ARG 102 N -0.07 2.94 -0.10 1.61 1.81 -0.99 -5.03 118.95 119.12 1tqz s ARG 102 Ca 0.00 -0.88 -0.11 0.00 -1.72 0.00 0.00 55.73 53.02 1tqz s ARG 102 Cb 0.00 -2.71 0.03 0.00 -0.45 0.00 0.00 34.95 31.81 1tqz s ARG 102 CO 0.00 -0.27 0.31 -1.54 -0.68 0.00 0.00 175.30 173.12 1tqz s SER 103 N 1.30 -0.30 -0.09 0.23 1.04 -1.26 -1.33 113.70 113.29 1tqz s SER 103 Ca 0.03 0.56 0.00 0.00 0.48 0.00 0.00 55.95 57.02 1tqz s SER 103 Cb -0.14 0.60 -0.03 0.00 0.10 0.00 0.00 66.02 66.54 1tqz s SER 103 CO -0.10 -0.15 -0.08 0.00 0.98 0.00 0.00 173.24 173.90 1tqz s ALA 104 N -0.01 2.92 -0.16 5.32 0.00 -0.36 -4.94 121.76 124.54 1tqz s ALA 104 Ca -0.02 -0.89 -0.01 0.00 0.00 0.00 0.00 51.96 51.05 1tqz s ALA 104 Cb -0.03 -1.26 -0.01 0.00 0.00 0.00 0.00 23.12 21.83 1tqz s ALA 104 CO 0.01 0.48 -0.11 0.12 0.00 0.00 0.00 175.76 176.25 1tqz s PHE 105 N -0.48 2.85 0.05 0.00 5.36 -1.26 -0.96 117.98 123.54 1tqz s PHE 105 Ca 0.07 -0.77 -0.01 0.00 -0.96 0.00 0.00 56.93 55.25 1tqz s PHE 105 Cb -0.12 -1.92 -0.04 0.00 -0.34 0.00 0.00 43.02 40.61 1tqz s PHE 105 CO 0.02 -0.33 -0.02 0.96 -1.46 0.00 0.00 175.22 174.39 1tqz s ILE 106 N 0.69 0.21 0.07 3.12 -4.36 -0.26 -4.77 121.20 115.90 1tqz s ILE 106 Ca -0.06 -1.72 0.06 0.00 -0.26 0.00 0.00 60.65 58.68 1tqz s ILE 106 Cb -0.15 -1.44 -0.04 0.00 1.25 0.00 0.00 42.46 42.08 1tqz s ILE 106 CO 0.02 -0.95 -0.11 -0.83 0.24 0.00 0.00 174.94 173.31 1tqz s GLY 107 N -2.83 1.74 -0.09 6.27 0.00 -1.13 -0.26 107.32 111.01 1tqz s GLY 107 Ca 0.06 -1.20 0.00 0.00 0.00 0.00 0.00 44.72 43.58 1tqz s GLY 107 CO -0.10 -1.13 -0.09 -0.42 0.00 0.00 0.00 173.10 171.36 1tqz s ILE 108 N -1.11 1.01 -0.30 0.90 -1.09 0.08 0.16 121.20 120.84 1tqz s ILE 108 Ca 0.19 -0.32 -0.17 0.00 -2.23 0.00 0.00 60.65 58.11 1tqz s ILE 108 Cb -0.11 -1.00 0.18 0.00 -1.58 0.00 0.00 42.46 39.95 1tqz s ILE 108 CO 0.11 0.35 1.20 -0.83 -1.23 0.00 0.00 174.94 174.54 1tqz s GLY 109 N 1.35 -0.04 0.68 6.18 0.00 -1.04 -2.94 107.32 111.51 1tqz s GLY 109 Ca -0.02 3.20 -0.12 0.00 0.00 0.00 0.00 44.72 47.79 1tqz s GLY 109 CO -0.04 3.77 0.88 0.33 0.00 0.00 0.00 173.10 178.04 1tqz n PHE 110 N 5.24 -3.95 0.44 1.90 7.35 -1.26 -4.81 117.46 122.37 1tqz n PHE 110 Ca -0.08 -0.78 0.04 0.00 -0.76 0.00 0.00 57.45 55.87 1tqz n PHE 110 Cb 0.55 -0.71 0.22 0.00 0.35 0.00 0.00 39.48 39.89 1tqz n PHE 110 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1tqz n THR 111 N -3.35 0.44 -3.99 -2.13 -2.24 -1.26 -4.72 114.28 97.03 1tqz n THR 111 Ca 0.11 0.11 -0.09 0.00 -2.27 0.00 0.00 64.05 61.91 1tqz n THR 111 Cb 0.39 -0.98 -0.05 0.00 -2.10 0.00 0.00 70.33 67.59 1tqz n THR 111 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1tqz s ASP 112 N -2.30 -0.10 -0.01 3.42 1.01 -1.26 -5.03 116.67 112.40 1tqz s ASP 112 Ca 0.10 -0.90 0.11 0.00 0.71 0.00 0.00 52.55 52.56 1tqz s ASP 112 Cb 0.05 0.59 0.32 0.00 1.01 0.00 0.00 42.92 44.90 1tqz s ASP 112 CO 0.11 -1.15 1.25 -1.14 0.21 0.00 0.00 175.17 174.44 1tqz n ARG 113 N -0.38 1.90 0.03 8.23 0.63 -1.26 -4.28 116.66 121.52 1tqz n ARG 113 Ca -0.02 -1.29 -0.01 0.00 -0.92 0.00 0.00 57.85 55.61 1tqz n ARG 113 Cb 0.62 -1.32 -0.01 0.00 0.45 0.00 0.00 32.46 32.20 1tqz n ARG 113 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1tqz h GLY 114 N 5.18 -0.08 1.53 5.14 0.00 -1.95 -2.88 103.07 109.99 1tqz h GLY 114 Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 47.33 47.38 1tqz h GLY 114 CO 0.02 -0.03 0.27 -0.55 0.00 0.00 0.00 176.54 176.25 1tqz h ASP 115 N -0.14 0.41 0.31 0.19 3.32 -1.94 -2.93 116.42 115.65 1tqz h ASP 115 Ca -0.01 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1tqz h ASP 115 Cb 0.06 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1tqz h ASP 115 CO 0.01 0.29 -0.49 0.00 -1.72 0.00 0.00 179.24 177.33 1tqz h ALA 116 N 1.76 -1.06 0.16 3.45 0.00 -1.74 0.64 119.26 122.46 1tqz h ALA 116 Ca 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1tqz h ALA 116 Cb 0.05 0.79 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1tqz h ALA 116 CO -0.04 -1.14 -0.37 0.35 0.00 0.00 0.00 179.25 178.06 1tqz h PHE 117 N -0.85 -1.05 -0.64 0.00 3.57 -1.32 0.47 116.94 117.11 1tqz h PHE 117 Ca -0.04 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.61 1tqz h PHE 117 Cb 0.78 0.44 -0.09 0.00 2.79 0.00 0.00 35.95 39.87 1tqz h PHE 117 CO -0.34 -0.44 0.16 -0.44 -2.23 0.00 0.00 178.31 175.03 1tqz h ASP 118 N -0.58 0.05 0.24 0.41 5.19 -1.49 0.11 116.42 120.35 1tqz h ASP 118 Ca -0.02 0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 1tqz h ASP 118 Cb 0.56 0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.22 1tqz h ASP 118 CO -0.16 0.02 -0.12 0.15 -3.12 0.00 0.00 179.24 176.02 1tqz h PHE 119 N 0.29 -0.30 0.78 4.55 3.04 0.76 -2.11 116.94 123.95 1tqz h PHE 119 Ca 0.34 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.25 1tqz h PHE 119 Cb 0.52 0.10 -0.00 0.00 2.56 0.00 0.00 35.95 39.13 1tqz h PHE 119 CO -0.24 -0.18 -0.47 -0.97 -2.02 0.00 0.00 178.31 174.43 1tqz h ASN 120 N -0.32 -1.19 -1.15 0.41 -0.00 0.67 -2.46 115.58 111.54 1tqz h ASN 120 Ca -0.03 0.06 0.33 0.00 -0.00 0.00 0.00 56.30 56.66 1tqz h ASN 120 Cb 0.25 0.34 -0.08 0.00 -0.00 0.00 0.00 38.32 38.84 1tqz h ASN 120 CO 0.05 -0.73 0.79 -0.37 -0.00 0.00 0.00 177.43 177.17 1tqz h VAL 121 N -1.17 0.42 0.24 2.57 -1.51 -0.83 -0.08 116.25 115.89 1tqz h VAL 121 Ca -0.10 -0.06 -0.01 0.00 -1.23 0.00 0.00 66.70 65.29 1tqz h VAL 121 Cb 0.93 0.23 0.00 0.00 -2.13 0.00 0.00 31.29 30.33 1tqz h VAL 121 CO 0.11 0.03 -0.12 0.28 -1.23 0.00 0.00 177.57 176.65 1tqz h SER 122 N 0.17 -0.27 -0.93 4.19 0.02 -0.93 0.60 113.55 116.39 1tqz h SER 122 Ca 0.61 -0.15 0.21 0.00 -0.84 0.00 0.00 61.79 61.61 1tqz h SER 122 Cb 2.01 0.07 -0.07 0.00 0.14 0.00 0.00 62.40 64.55 1tqz h SER 122 CO -0.17 0.00 0.61 0.25 -1.14 0.00 0.00 176.83 176.38 1tqz h LEU 123 N -0.56 0.47 0.02 5.07 6.46 -0.62 -1.47 115.31 124.68 1tqz h LEU 123 Ca -0.03 0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1tqz h LEU 123 Cb 0.41 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.31 1tqz h LEU 123 CO 0.05 0.18 -0.01 -0.61 -0.62 0.00 0.00 178.44 177.43 1tqz h GLN 124 N 0.46 -0.03 -0.72 1.25 -0.00 -1.27 -2.13 115.11 112.67 1tqz h GLN 124 Ca 0.49 0.00 0.16 0.00 -0.00 0.00 0.00 58.65 59.30 1tqz h GLN 124 Cb 1.15 0.01 -0.13 0.00 0.00 0.00 0.00 27.48 28.51 1tqz h GLN 124 CO -0.21 0.69 -0.06 -0.44 0.00 0.00 0.00 178.83 178.80 1tqz h ASP 125 N -0.80 -0.46 0.04 -0.69 5.19 0.10 0.57 116.42 120.37 1tqz h ASP 125 Ca -0.00 0.20 -0.00 0.00 -0.62 0.00 0.00 57.03 56.60 1tqz h ASP 125 Cb 0.73 0.37 0.00 0.00 0.18 0.00 0.00 39.33 40.61 1tqz h ASP 125 CO 0.00 -0.20 -0.02 0.45 -3.12 0.00 0.00 179.24 176.36 1tqz h HIS 126 N 0.06 -0.05 0.00 4.55 3.86 -1.43 -3.40 115.15 118.74 1tqz h HIS 126 Ca 0.38 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.59 1tqz h HIS 126 Cb 0.63 0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.12 1tqz h HIS 126 CO -0.47 0.53 0.00 0.34 0.86 0.00 0.00 177.93 179.19 1tqz n PHE 127 N -4.82 0.00 -2.39 2.45 -0.00 -0.80 -4.82 117.46 107.08 1tqz n PHE 127 Ca -0.09 0.00 -0.32 0.00 -0.00 0.00 0.00 57.45 57.04 1tqz n PHE 127 Cb 0.30 -0.02 -0.03 0.00 -0.00 0.00 0.00 39.48 39.73 1tqz n PHE 127 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 1tqz s LYS 128 N -0.81 3.85 -0.38 -4.13 -0.14 0.19 -5.02 119.74 113.29 1tqz s LYS 128 Ca 0.00 1.05 0.12 0.00 -1.36 0.00 0.00 55.97 55.78 1tqz s LYS 128 Cb 0.00 -2.12 0.37 0.00 -1.68 0.00 0.00 37.83 34.40 1tqz s LYS 128 CO 0.00 -0.36 0.91 1.87 -0.76 0.00 0.00 175.35 177.01 1tqz n TRP 129 N -1.51 -0.51 -2.11 3.18 -0.00 -1.26 -4.08 117.44 111.15 1tqz n TRP 129 Ca 0.07 -3.08 0.00 0.00 -0.00 0.00 0.00 57.50 54.49 1tqz n TRP 129 Cb 0.54 0.20 -0.00 0.00 -0.00 0.00 0.00 31.31 32.05 1tqz n TRP 129 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1tqz n VAL 130 N 0.15 0.00 0.10 5.87 0.31 -1.26 -4.86 118.33 118.64 1tqz n VAL 130 Ca 0.15 -0.22 0.09 0.00 -0.01 0.00 0.00 64.34 64.35 1tqz n VAL 130 Cb 0.72 0.51 -0.00 0.00 -0.91 0.00 0.00 33.84 34.15 1tqz n VAL 130 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1tqz h LYS 131 N 0.22 0.00 -2.00 5.55 3.64 -1.98 -3.47 116.57 118.53 1tqz h LYS 131 Ca -0.10 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.24 1tqz h LYS 131 Cb 1.43 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 33.04 1tqz h LYS 131 CO -0.00 0.08 0.13 -1.14 -2.27 0.00 0.00 179.45 176.24 1tqz s GLN 132 N -3.25 0.84 0.00 1.90 0.74 -1.26 -5.26 119.66 113.37 1tqz s GLN 132 Ca -0.00 1.00 0.00 0.00 0.05 0.00 0.00 55.36 56.41 1tqz s GLN 132 Cb 0.09 0.41 0.00 0.00 1.10 0.00 0.00 33.01 34.61 1tqz s GLN 132 CO 0.78 -0.10 0.00 0.39 -0.55 0.00 0.00 175.29 175.81