#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tqz s ALA 2 N 0.00 -5.01 -1.48 3.04 0.00 -1.26 -5.06 121.76 111.99 1tqz s ALA 2 Ca 0.00 1.29 -0.09 0.00 0.00 0.00 0.00 51.96 53.16 1tqz s ALA 2 Cb 0.00 -3.07 0.02 0.00 0.00 0.00 0.00 23.12 20.06 1tqz s ALA 2 CO 0.00 -2.58 2.59 0.00 0.00 0.00 0.00 175.76 175.77 1tqz n ALA 3 N 3.14 6.89 -2.26 0.00 0.00 -1.26 -4.95 120.51 122.07 1tqz n ALA 3 Ca 0.06 -3.83 -0.34 0.00 0.00 0.00 0.00 53.44 49.33 1tqz n ALA 3 Cb 0.66 -3.16 -0.06 0.00 0.00 0.00 0.00 19.45 16.89 1tqz n ALA 3 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1tqz s GLU 4 N 1.03 4.02 -0.90 0.00 1.03 -1.26 -4.99 118.70 117.63 1tqz s GLU 4 Ca 0.59 0.58 -0.04 0.00 0.03 0.00 0.00 54.97 56.13 1tqz s GLU 4 Cb 0.17 -2.77 0.11 0.00 -0.80 0.00 0.00 34.13 30.84 1tqz s GLU 4 CO -0.07 0.36 2.52 1.28 -1.33 0.00 0.00 175.26 178.03 1tqz n LEU 5 N 0.38 7.29 -3.14 1.83 4.77 -1.26 -4.67 117.00 122.20 1tqz n LEU 5 Ca -0.02 -4.54 -0.11 0.00 -0.03 0.00 0.00 56.01 51.31 1tqz n LEU 5 Cb 0.52 -1.28 -0.04 0.00 -2.33 0.00 0.00 43.42 40.29 1tqz n LEU 5 CO 0.43 1.90 -0.05 -1.61 -1.33 0.00 0.00 177.39 176.74 1tqz s GLU 6 N -1.66 0.87 -1.12 3.23 2.02 -1.26 -5.08 118.70 115.71 1tqz s GLU 6 Ca 0.55 -1.06 -0.19 0.00 0.02 0.00 0.00 54.97 54.30 1tqz s GLU 6 Cb 0.28 -0.47 0.10 0.00 0.10 0.00 0.00 34.13 34.14 1tqz s GLU 6 CO -0.16 -1.28 1.45 -0.47 0.02 0.00 0.00 175.26 174.82 1tqz s TYR 7 N 1.06 2.94 -0.27 1.61 6.14 -1.26 -4.91 117.35 122.65 1tqz s TYR 7 Ca 0.24 -1.46 -0.22 0.00 0.64 0.00 0.00 57.07 56.28 1tqz s TYR 7 Cb -0.04 -4.54 0.07 0.00 0.42 0.00 0.00 41.96 37.87 1tqz s TYR 7 CO -0.07 -1.69 0.71 -1.21 0.64 0.00 0.00 175.55 173.93 1tqz s GLU 8 N 3.53 0.79 0.25 4.97 2.02 -1.26 -5.18 118.70 123.83 1tqz s GLU 8 Ca 0.44 1.07 -0.22 0.00 0.02 0.00 0.00 54.97 56.29 1tqz s GLU 8 Cb -0.01 0.32 0.04 0.00 0.10 0.00 0.00 34.13 34.59 1tqz s GLU 8 CO -0.03 -0.12 0.84 0.45 0.02 0.00 0.00 175.26 176.42 1tqz s SER 9 N 0.78 -0.17 0.04 -0.19 0.15 -1.26 -4.77 113.70 108.28 1tqz s SER 9 Ca -0.03 -0.63 -0.24 0.00 0.70 0.00 0.00 55.95 55.75 1tqz s SER 9 Cb -0.05 0.65 -0.13 0.00 -1.71 0.00 0.00 66.02 64.79 1tqz s SER 9 CO -0.06 -1.23 1.36 0.58 1.20 0.00 0.00 173.24 175.09 1tqz h VAL 10 N 2.00 0.00 -2.80 4.45 2.07 -1.93 -3.49 116.25 116.55 1tqz h VAL 10 Ca -0.23 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1tqz h VAL 10 Cb 1.24 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1tqz h VAL 10 CO 0.27 0.00 0.00 -0.11 0.02 0.00 0.00 177.57 177.75 1tqz n LEU 11 N -4.32 -1.87 -3.81 2.57 0.00 -1.26 -4.82 117.00 103.49 1tqz n LEU 11 Ca -0.10 0.00 -0.15 0.00 0.00 0.00 0.00 56.01 55.77 1tqz n LEU 11 Cb 0.33 -0.93 -0.15 0.00 0.00 0.00 0.00 43.42 42.66 1tqz n LEU 11 CO 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 177.39 177.26 1tqz s VAL 13 N 0.75 0.05 -0.36 0.00 -7.23 -1.26 -1.92 120.40 110.44 1tqz s VAL 13 Ca -0.07 -0.44 -0.03 0.00 -1.81 0.00 0.00 61.98 59.63 1tqz s VAL 13 Cb -0.09 -1.09 0.19 0.00 0.56 0.00 0.00 36.38 35.94 1tqz s VAL 13 CO -0.02 -0.24 0.91 -0.75 -0.31 0.00 0.00 175.10 174.69 1tqz s LYS 14 N -3.45 0.41 0.33 4.82 2.47 0.21 -4.93 119.74 119.61 1tqz s LYS 14 Ca 0.01 -0.17 0.26 0.00 -1.56 0.00 0.00 55.97 54.51 1tqz s LYS 14 Cb 0.01 0.04 0.91 0.00 -1.46 0.00 0.00 37.83 37.33 1tqz s LYS 14 CO -0.10 -0.59 1.77 -1.00 0.16 0.00 0.00 175.35 175.60 1tqz h PRO 15 N 5.82 0.00 -3.67 4.03 0.13 -1.86 -0.98 132.00 135.47 1tqz h PRO 15 Ca -0.00 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.44 1tqz h PRO 15 Cb 1.21 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.98 1tqz h PRO 15 CO -0.02 0.00 -0.41 -0.51 -0.23 0.00 0.00 178.00 176.83 1tqz s ASP 16 N -4.93 5.16 -0.01 1.44 1.01 -1.26 -4.16 116.67 113.92 1tqz s ASP 16 Ca 0.06 -2.78 -0.28 0.00 0.71 0.00 0.00 52.55 50.25 1tqz s ASP 16 Cb 0.09 -1.83 0.10 0.00 1.01 0.00 0.00 42.92 42.29 1tqz s ASP 16 CO 0.53 -0.37 0.85 0.54 0.21 0.00 0.00 175.17 176.93 1tqz s VAL 17 N 0.04 0.00 -0.13 -1.27 0.11 -1.25 -4.94 120.40 112.97 1tqz s VAL 17 Ca 0.16 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.22 1tqz s VAL 17 Cb -0.21 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.64 1tqz s VAL 17 CO -0.03 0.00 -0.18 -0.55 -3.33 0.00 0.00 175.10 171.01 1tqz s SER 18 N -2.19 3.54 0.04 3.54 0.15 -1.14 -3.17 113.70 114.47 1tqz s SER 18 Ca 0.02 -0.47 0.09 0.00 0.70 0.00 0.00 55.95 56.29 1tqz s SER 18 Cb -0.01 -1.52 -0.03 0.00 -1.71 0.00 0.00 66.02 62.75 1tqz s SER 18 CO -0.06 0.13 -0.24 0.54 1.20 0.00 0.00 173.24 174.81 1tqz s VAL 19 N 0.53 2.33 0.33 4.45 0.11 -0.64 -0.01 120.40 127.50 1tqz s VAL 19 Ca -0.11 -1.32 0.10 0.00 -2.93 0.00 0.00 61.98 57.71 1tqz s VAL 19 Cb -0.16 -1.92 -0.06 0.00 -1.53 0.00 0.00 36.38 32.70 1tqz s VAL 19 CO 0.04 0.37 -0.08 -0.72 -3.33 0.00 0.00 175.10 171.38 1tqz s TYR 20 N -0.83 2.44 0.05 1.54 1.13 0.34 0.41 117.35 122.42 1tqz s TYR 20 Ca 0.12 -0.45 0.04 0.00 -1.41 0.00 0.00 57.07 55.37 1tqz s TYR 20 Cb -0.10 -1.35 -0.03 0.00 -1.10 0.00 0.00 41.96 39.38 1tqz s TYR 20 CO 0.03 0.58 -0.11 0.50 -2.51 0.00 0.00 175.55 174.03 1tqz s ARG 21 N -3.63 0.70 -0.52 -3.49 3.52 -1.26 -2.30 118.95 111.96 1tqz s ARG 21 Ca 0.33 -0.83 -0.02 0.00 -0.13 0.00 0.00 55.73 55.08 1tqz s ARG 21 Cb 0.01 -0.61 0.14 0.00 -1.56 0.00 0.00 34.95 32.92 1tqz s ARG 21 CO 0.17 0.13 0.32 0.42 -0.81 0.00 0.00 175.30 175.54 1tqz s ILE 22 N -1.23 3.43 0.28 4.11 -1.09 -1.26 -4.77 121.20 120.65 1tqz s ILE 22 Ca -0.05 -2.61 -0.04 0.00 -2.23 0.00 0.00 60.65 55.72 1tqz s ILE 22 Cb -0.10 -3.29 0.36 0.00 -1.58 0.00 0.00 42.46 37.85 1tqz s ILE 22 CO 0.01 -0.79 1.60 1.55 -1.23 0.00 0.00 174.94 176.08 1tqz h PRO 23 N 7.41 0.04 -7.23 2.79 0.13 -2.03 -3.41 132.00 129.71 1tqz h PRO 23 Ca -0.07 -0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.54 1tqz h PRO 23 Cb 0.99 -0.01 0.15 0.00 0.13 0.00 0.00 31.00 32.25 1tqz h PRO 23 CO 0.70 0.03 0.34 -1.25 -0.23 0.00 0.00 178.00 177.59 1tqz s PRO 24 N -6.10 2.08 0.01 1.56 0.04 -1.26 -5.02 135.00 126.31 1tqz s PRO 24 Ca -0.14 1.51 -0.09 0.00 0.04 0.00 0.00 61.00 62.33 1tqz s PRO 24 Cb 0.26 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.90 1tqz s PRO 24 CO 0.77 -1.83 0.31 -0.98 0.04 0.00 0.00 177.00 175.31 1tqz s ARG 25 N -4.30 3.66 -0.42 4.56 1.70 -1.26 -5.06 118.95 117.83 1tqz s ARG 25 Ca 0.68 0.05 0.05 0.00 -0.47 0.00 0.00 55.73 56.04 1tqz s ARG 25 Cb -0.23 -3.09 0.17 0.00 -0.57 0.00 0.00 34.95 31.23 1tqz s ARG 25 CO 0.49 0.64 0.49 0.00 -1.08 0.00 0.00 175.30 175.84 1tqz s ALA 26 N -1.27 -0.81 0.12 7.88 0.00 -1.26 -5.02 121.76 121.40 1tqz s ALA 26 Ca 0.27 -0.91 -0.21 0.00 0.00 0.00 0.00 51.96 51.11 1tqz s ALA 26 Cb -0.14 -2.24 -0.06 0.00 0.00 0.00 0.00 23.12 20.68 1tqz s ALA 26 CO 0.15 -2.15 1.71 0.66 0.00 0.00 0.00 175.76 176.13 1tqz h SER 27 N 6.39 -0.17 0.00 0.00 4.64 -2.05 -3.37 113.55 119.00 1tqz h SER 27 Ca 0.09 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1tqz h SER 27 Cb 1.06 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1tqz h SER 27 CO 0.17 -0.07 0.00 -3.20 -0.87 0.00 0.00 176.83 172.86 1tqz n ASN 28 N -5.18 0.00 -3.03 4.97 5.15 -1.26 -5.09 115.26 110.82 1tqz n ASN 28 Ca -0.04 0.25 -0.08 0.00 -0.60 0.00 0.00 54.58 54.11 1tqz n ASN 28 Cb 0.11 -0.33 0.02 0.00 -0.53 0.00 0.00 39.78 39.05 1tqz n ASN 28 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1tqz s ARG 29 N -0.66 2.08 0.00 1.20 3.52 -1.26 -5.14 118.95 118.69 1tqz s ARG 29 Ca 0.00 -1.33 0.00 0.00 -0.13 0.00 0.00 55.73 54.27 1tqz s ARG 29 Cb 0.00 0.59 0.00 0.00 -1.56 0.00 0.00 34.95 33.98 1tqz s ARG 29 CO 0.00 -0.97 0.00 0.41 -0.81 0.00 0.00 175.30 173.93 1tqz n GLY 30 N -0.55 0.45 3.57 8.12 0.00 -1.26 -4.85 105.19 110.66 1tqz n GLY 30 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 1tqz n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tqz s TYR 31 N 0.00 -0.47 0.90 1.61 2.02 -1.26 -5.16 117.35 114.99 1tqz s TYR 31 Ca 0.00 0.84 -0.11 0.00 -0.37 0.00 0.00 57.07 57.43 1tqz s TYR 31 Cb 0.00 0.43 0.14 0.00 -0.40 0.00 0.00 41.96 42.12 1tqz s TYR 31 CO 0.00 -0.41 1.12 -0.98 -1.57 0.00 0.00 175.55 173.70 1tqz s ARG 32 N -1.01 1.14 0.00 -0.62 1.70 -1.26 -4.64 118.95 114.26 1tqz s ARG 32 Ca -0.04 1.32 0.01 0.00 -0.47 0.00 0.00 55.73 56.55 1tqz s ARG 32 Cb -0.01 -1.76 0.05 0.00 -0.57 0.00 0.00 34.95 32.67 1tqz s ARG 32 CO 0.04 -2.47 0.62 0.00 -1.08 0.00 0.00 175.30 172.40 1tqz n ALA 33 N -4.10 1.47 0.10 7.88 0.00 -1.26 -2.10 120.51 122.49 1tqz n ALA 33 Ca 0.10 -0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.58 1tqz n ALA 33 Cb 0.53 -1.01 0.49 0.00 0.00 0.00 0.00 19.45 19.45 1tqz n ALA 33 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1tqz h SER 34 N 0.00 0.29 0.00 0.00 0.87 -1.88 -3.30 113.55 109.53 1tqz h SER 34 Ca 0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1tqz h SER 34 Cb 0.00 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1tqz h SER 34 CO 0.00 0.24 -0.17 0.47 -0.53 0.00 0.00 176.83 176.83 1tqz n ASP 35 N -4.47 0.00 -0.04 6.23 8.00 -0.97 -4.92 116.55 120.38 1tqz n ASP 35 Ca 0.01 -1.35 -0.14 0.00 0.71 0.00 0.00 54.79 54.02 1tqz n ASP 35 Cb 0.10 -0.07 -0.11 0.00 -0.02 0.00 0.00 41.12 41.01 1tqz n ASP 35 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 1tqz h TRP 36 N 0.00 0.03 -3.26 1.24 -0.00 -1.50 -3.50 115.95 108.96 1tqz h TRP 36 Ca 0.00 -0.02 0.05 0.00 -0.00 0.00 0.00 58.89 58.92 1tqz h TRP 36 Cb 1.14 -0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 30.27 1tqz h TRP 36 CO -0.01 0.72 -0.77 1.63 -0.00 0.00 0.00 178.44 180.00 1tqz n LYS 37 N -4.73 -2.98 -2.67 2.65 4.76 -1.26 -5.01 118.16 108.92 1tqz n LYS 37 Ca -0.09 2.33 -0.04 0.00 -2.87 0.00 0.00 58.31 57.64 1tqz n LYS 37 Cb 0.36 -3.13 0.09 0.00 -1.84 0.00 0.00 35.03 30.51 1tqz n LYS 37 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 1tqz n LEU 38 N -2.77 -1.41 0.19 -0.35 -0.00 -1.26 -4.99 117.00 106.40 1tqz n LEU 38 Ca -0.01 -2.21 0.12 0.00 -0.00 0.00 0.00 56.01 53.91 1tqz n LEU 38 Cb 0.39 0.91 0.20 0.00 -0.00 0.00 0.00 43.42 44.93 1tqz n LEU 38 CO 0.01 1.61 0.77 0.44 -0.00 0.00 0.00 177.39 180.21 1tqz h ASP 39 N 2.11 0.00 0.00 1.45 5.19 -2.02 -3.38 116.42 119.77 1tqz h ASP 39 Ca -0.33 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.08 1tqz h ASP 39 Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 1tqz h ASP 39 CO -0.02 0.00 -0.38 1.67 -3.12 0.00 0.00 179.24 177.39 1tqz n GLN 40 N -2.90 0.31 -1.99 3.56 7.27 -1.26 -4.80 117.38 117.58 1tqz n GLN 40 Ca 0.04 0.41 -0.38 0.00 0.07 0.00 0.00 57.00 57.14 1tqz n GLN 40 Cb 0.51 -1.37 -0.03 0.00 2.41 0.00 0.00 30.24 31.76 1tqz n GLN 40 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1tqz s PRO 41 N -1.89 2.61 -0.36 3.69 0.04 -1.26 -4.75 135.00 133.07 1tqz s PRO 41 Ca -0.11 0.75 -0.03 0.00 0.04 0.00 0.00 61.00 61.65 1tqz s PRO 41 Cb 0.02 -4.40 0.24 0.00 0.04 0.00 0.00 34.50 30.39 1tqz s PRO 41 CO 0.16 -2.74 1.10 -0.25 0.04 0.00 0.00 177.00 175.32 1tqz n ASP 42 N 12.94 -1.69 -4.81 6.66 8.00 -1.25 -4.22 116.55 132.18 1tqz n ASP 42 Ca 0.22 -1.60 -0.31 0.00 0.71 0.00 0.00 54.79 53.81 1tqz n ASP 42 Cb 0.52 0.90 0.07 0.00 -0.02 0.00 0.00 41.12 42.59 1tqz n ASP 42 CO 0.00 0.00 0.00 -1.66 -0.39 0.00 0.00 177.20 175.15 1tqz s TRP 43 N 0.63 2.99 -0.14 1.24 1.48 0.16 -4.76 118.94 120.55 1tqz s TRP 43 Ca 0.26 1.30 -0.01 0.00 -1.06 0.00 0.00 56.10 56.59 1tqz s TRP 43 Cb 0.15 -2.99 -0.02 0.00 -1.16 0.00 0.00 33.47 29.46 1tqz s TRP 43 CO -0.10 -1.47 -0.11 0.95 -4.06 0.00 0.00 176.95 172.15 1tqz s THR 44 N -3.09 3.24 -0.02 0.66 -4.23 -1.26 -1.62 115.64 109.32 1tqz s THR 44 Ca 0.59 -0.59 -0.10 0.00 -1.18 0.00 0.00 61.69 60.41 1tqz s THR 44 Cb -0.14 -2.38 0.03 0.00 1.34 0.00 0.00 72.50 71.35 1tqz s THR 44 CO 0.55 0.51 0.44 0.61 -0.54 0.00 0.00 174.62 176.19 1tqz n GLY 45 N 3.56 0.42 3.75 3.99 0.00 -1.19 -4.92 105.19 110.80 1tqz n GLY 45 Ca -0.18 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.59 1tqz n GLY 45 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1tqz s ARG 46 N -2.00 3.58 0.05 1.61 1.70 0.65 -3.74 118.95 120.79 1tqz s ARG 46 Ca 0.10 -0.26 0.07 0.00 -0.47 0.00 0.00 55.73 55.17 1tqz s ARG 46 Cb -0.00 -3.14 -0.03 0.00 -0.57 0.00 0.00 34.95 31.22 1tqz s ARG 46 CO -0.00 0.56 -0.19 -0.51 -1.08 0.00 0.00 175.30 174.08 1tqz s LEU 47 N -0.44 2.18 0.20 -1.89 1.43 -0.37 -2.05 118.68 117.74 1tqz s LEU 47 Ca 0.10 -0.52 -0.23 0.00 -1.03 0.00 0.00 54.13 52.45 1tqz s LEU 47 Cb -0.12 -0.88 0.05 0.00 0.03 0.00 0.00 46.19 45.27 1tqz s LEU 47 CO 0.02 0.12 0.87 0.00 0.23 0.00 0.00 176.35 177.59 1tqz s ARG 48 N -1.24 1.43 0.03 1.70 1.04 -0.95 -0.62 118.95 120.34 1tqz s ARG 48 Ca 0.06 -0.80 -0.03 0.00 -1.04 0.00 0.00 55.73 53.92 1tqz s ARG 48 Cb -0.09 0.49 -0.02 0.00 -2.04 0.00 0.00 34.95 33.29 1tqz s ARG 48 CO 0.02 -0.66 0.03 0.96 -0.04 0.00 0.00 175.30 175.61 1tqz s ILE 49 N -3.49 0.13 0.07 4.99 -4.36 -0.81 -1.51 121.20 116.23 1tqz s ILE 49 Ca 0.12 -1.09 -0.14 0.00 -0.26 0.00 0.00 60.65 59.28 1tqz s ILE 49 Cb -0.03 -0.70 0.02 0.00 1.25 0.00 0.00 42.46 43.00 1tqz s ILE 49 CO 0.04 -0.60 0.32 0.42 0.24 0.00 0.00 174.94 175.36 1tqz s THR 50 N -2.23 0.09 -0.09 8.37 -4.23 -0.27 -2.72 115.64 114.55 1tqz s THR 50 Ca -0.08 -0.72 -0.04 0.00 -1.18 0.00 0.00 61.69 59.67 1tqz s THR 50 Cb -0.04 -1.08 0.05 0.00 1.34 0.00 0.00 72.50 72.77 1tqz s THR 50 CO -0.03 -0.40 0.21 -0.44 -0.54 0.00 0.00 174.62 173.42 1tqz s SER 51 N -2.40 0.02 0.09 3.99 0.01 -1.26 -0.55 113.70 113.59 1tqz s SER 51 Ca -0.01 0.44 -0.32 0.00 1.31 0.00 0.00 55.95 57.37 1tqz s SER 51 Cb 0.01 0.36 -0.15 0.00 0.21 0.00 0.00 66.02 66.45 1tqz s SER 51 CO -0.07 -0.18 1.61 0.50 0.41 0.00 0.00 173.24 175.51 1tqz h LYS 52 N 7.54 -0.80 0.00 12.44 1.63 -1.90 -3.40 116.57 132.08 1tqz h LYS 52 Ca -0.34 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.52 1tqz h LYS 52 Cb 1.14 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.95 1tqz h LYS 52 CO 0.32 -0.53 0.00 0.41 -3.45 0.00 0.00 179.45 176.20 1tqz n GLY 53 N -1.48 -0.81 0.01 5.01 0.00 -1.26 -4.80 105.19 101.85 1tqz n GLY 53 Ca -0.11 0.34 0.11 0.00 0.00 0.00 0.00 46.02 46.35 1tqz n GLY 53 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1tqz n LYS 54 N -2.57 0.12 -4.33 1.61 0.00 -1.26 -4.96 118.16 106.77 1tqz n LYS 54 Ca 0.00 -0.02 -0.17 0.00 -0.00 0.00 0.00 58.31 58.12 1tqz n LYS 54 Cb 0.00 -1.52 -0.10 0.00 -0.00 0.00 0.00 35.03 33.41 1tqz n LYS 54 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1tqz s ILE 55 N -3.09 0.83 0.02 0.58 1.10 -1.26 -4.81 121.20 114.57 1tqz s ILE 55 Ca 0.06 -2.01 -0.02 0.00 -0.51 0.00 0.00 60.65 58.17 1tqz s ILE 55 Cb 0.16 -2.48 -0.02 0.00 0.15 0.00 0.00 42.46 40.27 1tqz s ILE 55 CO 0.82 -0.18 0.02 0.00 -2.11 0.00 0.00 174.94 173.50 1tqz s ALA 56 N -3.56 0.02 -0.07 1.50 0.00 -1.23 -3.01 121.76 115.40 1tqz s ALA 56 Ca 0.32 -0.53 -0.22 0.00 0.00 0.00 0.00 51.96 51.54 1tqz s ALA 56 Cb 0.07 0.16 0.05 0.00 0.00 0.00 0.00 23.12 23.40 1tqz s ALA 56 CO 0.11 -0.21 0.50 1.52 0.00 0.00 0.00 175.76 177.68 1tqz s TYR 57 N -1.76 -0.46 -0.14 0.00 1.13 0.29 -0.66 117.35 115.75 1tqz s TYR 57 Ca -0.13 0.87 -0.06 0.00 -1.41 0.00 0.00 57.07 56.34 1tqz s TYR 57 Cb -0.07 0.24 -0.04 0.00 -1.10 0.00 0.00 41.96 40.99 1tqz s TYR 57 CO -0.01 -0.44 0.09 -1.50 -2.51 0.00 0.00 175.55 171.17 1tqz s ILE 58 N -0.88 5.06 -0.05 -3.49 -1.16 -1.02 -1.11 121.20 118.54 1tqz s ILE 58 Ca -0.09 0.05 0.06 0.00 -0.51 0.00 0.00 60.65 60.15 1tqz s ILE 58 Cb -0.03 -3.22 -0.01 0.00 0.61 0.00 0.00 42.46 39.81 1tqz s ILE 58 CO 0.06 0.56 -0.24 -0.75 -2.81 0.00 0.00 174.94 171.75 1tqz s LYS 59 N -0.51 2.45 0.09 3.50 2.20 -0.57 -0.69 119.74 126.21 1tqz s LYS 59 Ca 0.11 -0.88 0.07 0.00 -0.36 0.00 0.00 55.97 54.90 1tqz s LYS 59 Cb -0.12 -2.10 -0.03 0.00 -1.51 0.00 0.00 37.83 34.07 1tqz s LYS 59 CO 0.02 0.38 -0.17 -0.48 -0.36 0.00 0.00 175.35 174.74 1tqz s LEU 60 N -0.19 2.29 0.00 5.43 0.05 0.10 -2.23 118.68 124.13 1tqz s LEU 60 Ca -0.02 -0.65 -0.12 0.00 0.05 0.00 0.00 54.13 53.39 1tqz s LEU 60 Cb -0.13 -0.69 0.04 0.00 -2.05 0.00 0.00 46.19 43.35 1tqz s LEU 60 CO 0.03 -0.01 0.54 -1.84 -0.55 0.00 0.00 176.35 174.52 1tqz n GLU 61 N 1.19 0.09 -3.54 1.48 0.00 -0.87 -2.46 120.64 116.53 1tqz n GLU 61 Ca -0.20 -0.35 -0.37 0.00 0.00 0.00 0.00 57.16 56.24 1tqz n GLU 61 Cb 0.54 0.57 -0.08 0.00 0.00 0.00 0.00 31.44 32.47 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 -2.20 6.36 0.00 -1.84 2.15 -1.26 -0.26 116.67 119.62 1tqz s ASP 62 Ca 0.13 0.41 0.03 0.00 0.43 0.00 0.00 52.55 53.55 1tqz s ASP 62 Cb -0.00 -2.17 0.20 0.00 -0.30 0.00 0.00 42.92 40.64 1tqz s ASP 62 CO -0.00 0.05 0.57 2.29 -0.17 0.00 0.00 175.17 177.91 1tqz n LYS 63 N 3.93 0.16 -0.07 4.34 0.00 -1.26 -3.05 118.16 122.21 1tqz n LYS 63 Ca -0.12 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.13 1tqz n LYS 63 Cb 0.52 -1.33 -0.04 0.00 -0.00 0.00 0.00 35.03 34.17 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 0.36 0.00 0.58 2.07 -1.94 -3.47 116.25 113.85 1tqz h VAL 64 Ca 0.00 -1.34 -0.12 0.00 0.82 0.00 0.00 66.70 66.06 1tqz h VAL 64 Cb 0.00 0.75 -0.11 0.00 -1.52 0.00 0.00 31.29 30.41 1tqz h VAL 64 CO 0.00 0.12 0.03 -1.54 0.02 0.00 0.00 177.57 176.20 1tqz n SER 65 N -4.65 -1.31 -2.46 0.57 3.41 -1.17 -5.08 113.62 102.93 1tqz n SER 65 Ca -0.08 -2.00 -0.02 0.00 -0.26 0.00 0.00 58.87 56.50 1tqz n SER 65 Cb 0.25 1.21 -0.02 0.00 -0.26 0.00 0.00 64.21 65.40 1tqz n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tqz n GLY 66 N 0.44 -4.48 0.00 5.00 0.00 -1.18 -5.02 105.19 99.95 1tqz n GLY 66 Ca -0.05 0.88 0.00 0.00 0.00 0.00 0.00 46.02 46.85 1tqz n GLY 66 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1tqz n GLU 67 N 0.98 0.62 -0.56 1.61 2.13 -1.26 -4.82 120.64 119.34 1tqz n GLU 67 Ca -0.17 0.00 0.46 0.00 0.66 0.00 0.00 57.16 58.11 1tqz n GLU 67 Cb 0.27 0.00 0.75 0.00 0.27 0.00 0.00 31.44 32.73 1tqz n GLU 67 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1tqz h LEU 68 N 0.00 0.00 -0.34 4.31 5.85 -1.96 -3.46 115.31 119.71 1tqz h LEU 68 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1tqz h LEU 68 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1tqz h LEU 68 CO 0.00 0.00 -0.06 0.33 -0.34 0.00 0.00 178.44 178.37 1tqz n PHE 69 N -3.85 -0.30 -3.60 1.25 -0.00 -1.26 -5.12 117.46 104.57 1tqz n PHE 69 Ca 0.38 0.17 -0.10 0.00 -0.00 0.00 0.00 57.45 57.89 1tqz n PHE 69 Cb 1.81 -1.77 -0.06 0.00 -0.00 0.00 0.00 39.48 39.47 1tqz n PHE 69 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1tqz s ALA 70 N -0.78 -1.94 0.32 3.13 0.00 -1.03 -5.05 121.76 116.42 1tqz s ALA 70 Ca 0.00 1.70 -0.05 0.00 0.00 0.00 0.00 51.96 53.61 1tqz s ALA 70 Cb 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 22.14 1tqz s ALA 70 CO 0.00 -0.28 0.48 -0.65 0.00 0.00 0.00 175.76 175.31 1tqz s GLN 71 N -0.53 1.84 -0.31 0.00 1.11 -1.26 0.02 119.66 120.53 1tqz s GLN 71 Ca -0.00 -1.66 0.01 0.00 0.01 0.00 0.00 55.36 53.73 1tqz s GLN 71 Cb -0.02 0.45 0.15 0.00 -1.01 0.00 0.00 33.01 32.58 1tqz s GLN 71 CO -0.01 -0.77 0.36 0.00 0.01 0.00 0.00 175.29 174.88 1tqz s ALA 72 N -3.21 -0.77 0.42 6.09 0.00 0.14 -4.99 121.76 119.43 1tqz s ALA 72 Ca 0.29 -0.25 -0.25 0.00 0.00 0.00 0.00 51.96 51.74 1tqz s ALA 72 Cb -0.00 -1.98 -0.08 0.00 0.00 0.00 0.00 23.12 21.05 1tqz s ALA 72 CO 0.18 -1.83 1.25 -1.25 0.00 0.00 0.00 175.76 174.11 1tqz s PRO 73 N 2.22 3.93 0.21 0.00 0.04 -1.26 -2.45 135.00 137.69 1tqz s PRO 73 Ca 0.11 2.03 0.07 0.00 0.04 0.00 0.00 61.00 63.25 1tqz s PRO 73 Cb -0.13 -2.68 -0.05 0.00 0.04 0.00 0.00 34.50 31.68 1tqz s PRO 73 CO -0.25 -0.48 -0.11 0.14 0.04 0.00 0.00 177.00 176.33 1tqz s VAL 74 N -1.33 1.56 -0.86 -0.36 -7.23 0.16 -4.95 120.40 107.39 1tqz s VAL 74 Ca 0.58 -2.16 0.19 0.00 -1.81 0.00 0.00 61.98 58.79 1tqz s VAL 74 Cb -0.35 -2.11 0.17 0.00 0.56 0.00 0.00 36.38 34.66 1tqz s VAL 74 CO 0.45 -0.55 1.60 1.21 -0.31 0.00 0.00 175.10 177.50 1tqz n GLU 75 N -0.39 0.06 -1.76 4.82 4.07 -1.25 -3.58 120.64 122.62 1tqz n GLU 75 Ca -0.08 0.26 0.00 0.00 -0.06 0.00 0.00 57.16 57.28 1tqz n GLU 75 Cb 0.61 -1.60 0.00 0.00 -0.06 0.00 0.00 31.44 30.39 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 -1.71 -4.93 0.00 5.31 7.27 -1.26 -4.63 117.38 117.42 1tqz n GLN 76 Ca 0.04 3.56 0.00 0.00 0.07 0.00 0.00 57.00 60.67 1tqz n GLN 76 Cb 0.22 -3.92 0.00 0.00 2.41 0.00 0.00 30.24 28.95 1tqz n GLN 76 CO 0.00 0.00 0.00 0.98 0.07 0.00 0.00 177.06 178.11 1tqz n TYR 77 N 0.44 0.00 -1.38 3.69 4.19 -1.26 -4.86 117.16 117.97 1tqz n TYR 77 Ca 0.00 0.00 -0.41 0.00 3.31 0.00 0.00 57.90 60.80 1tqz n TYR 77 Cb 0.00 0.00 -0.03 0.00 0.49 0.00 0.00 39.34 39.80 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 2.20 -2.30 2.98 -0.04 -1.26 -4.93 135.00 131.65 1tqz n PRO 78 Ca 0.00 -2.16 -0.42 0.00 -0.04 0.00 0.00 63.50 60.87 1tqz n PRO 78 Cb 0.00 -3.05 -0.03 0.00 -0.04 0.00 0.00 33.50 30.39 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 4.03 1.86 -0.04 0.55 0.00 -1.26 -3.61 107.32 108.85 1tqz s GLY 79 Ca 0.52 0.75 -0.22 0.00 0.00 0.00 0.00 44.72 45.78 1tqz s GLY 79 CO 0.01 2.48 0.97 4.51 0.00 0.00 0.00 173.10 181.07 1tqz n ILE 80 N 4.83 0.00 -2.80 0.90 0.13 -1.26 -5.00 119.36 116.15 1tqz n ILE 80 Ca 0.13 -0.07 -0.01 0.00 -1.10 0.00 0.00 62.75 61.69 1tqz n ILE 80 Cb 0.44 0.40 0.01 0.00 -0.84 0.00 0.00 39.64 39.65 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 -1.50 -2.31 -3.62 1.51 0.00 -1.26 -3.97 120.51 109.36 1tqz n ALA 81 Ca -0.08 0.01 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 1tqz n ALA 81 Cb 0.43 -1.60 -0.12 0.00 0.00 0.00 0.00 19.45 18.16 1tqz n ALA 81 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1tqz s VAL 82 N -3.03 -0.03 0.18 0.00 1.01 -1.26 -0.16 120.40 117.10 1tqz s VAL 82 Ca 0.04 0.10 -0.12 0.00 0.00 0.00 0.00 61.98 62.00 1tqz s VAL 82 Cb -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.87 1tqz s VAL 82 CO 0.62 0.04 0.37 -1.61 0.00 0.00 0.00 175.10 174.52 1tqz s GLU 83 N 1.13 1.25 0.00 2.72 2.02 -0.88 -5.03 118.70 119.90 1tqz s GLU 83 Ca -0.08 -1.08 0.00 0.00 0.02 0.00 0.00 54.97 53.83 1tqz s GLU 83 Cb -0.08 0.43 0.00 0.00 0.10 0.00 0.00 34.13 34.58 1tqz s GLU 83 CO -0.09 -0.49 0.00 0.25 0.02 0.00 0.00 175.26 174.95 1tqz n THR 84 N -0.26 0.00 -2.09 3.63 -2.24 -1.26 -2.08 114.28 109.98 1tqz n THR 84 Ca -0.08 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.35 1tqz n THR 84 Cb 0.63 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.82 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 -1.36 3.42 -1.35 2.28 -7.23 -1.26 -4.81 120.40 110.09 1tqz s VAL 85 Ca 0.00 0.00 0.03 0.00 -1.81 0.00 0.00 61.98 60.20 1tqz s VAL 85 Cb 0.00 -4.05 0.04 0.00 0.56 0.00 0.00 36.38 32.93 1tqz s VAL 85 CO 0.00 -1.01 0.93 0.41 -0.31 0.00 0.00 175.10 175.12 1tqz n THR 86 N 7.36 1.17 -1.94 5.32 -1.04 -1.26 -2.24 114.28 121.66 1tqz n THR 86 Ca 0.26 0.29 0.00 0.00 -2.04 0.00 0.00 64.05 62.56 1tqz n THR 86 Cb 0.50 -1.25 0.00 0.00 -1.82 0.00 0.00 70.33 67.76 1tqz n THR 86 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1tqz n ASP 87 N -1.32 0.00 -0.94 8.00 5.75 -1.26 -5.12 116.55 121.66 1tqz n ASP 87 Ca 0.01 -1.53 0.00 0.00 -0.01 0.00 0.00 54.79 53.27 1tqz n ASP 87 Cb 0.02 -0.11 -0.00 0.00 -1.03 0.00 0.00 41.12 40.01 1tqz n ASP 87 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1tqz n SER 88 N 0.00 -5.04 0.00 -1.12 2.88 -0.95 -4.96 113.62 104.43 1tqz n SER 88 Ca 0.00 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 1tqz n SER 88 Cb 0.61 -2.63 0.00 0.00 -0.75 0.00 0.00 64.21 61.43 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 -2.19 0.00 -0.67 -3.46 2.88 -1.26 -4.70 113.62 104.22 1tqz n SER 89 Ca -0.00 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1tqz n SER 89 Cb 0.29 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.75 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 0.00 0.00 -3.71 -1.46 1.85 -1.26 -5.17 116.66 106.91 1tqz n ARG 90 Ca 0.00 -0.01 -0.05 0.00 -1.00 0.00 0.00 57.85 56.78 1tqz n ARG 90 Cb 0.00 0.42 0.02 0.00 -1.05 0.00 0.00 32.46 31.85 1tqz n ARG 90 CO 0.00 0.00 0.00 2.48 -0.01 0.00 0.00 177.63 180.10 1tqz n TYR 91 N -0.00 -1.78 -3.63 2.89 4.11 -1.26 -4.29 117.16 113.19 1tqz n TYR 91 Ca -0.00 -1.47 -0.09 0.00 -0.00 0.00 0.00 57.90 56.33 1tqz n TYR 91 Cb 0.29 0.73 -0.02 0.00 -0.00 0.00 0.00 39.34 40.34 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 -2.36 -0.35 -0.04 -3.48 -0.12 -1.08 -4.19 117.98 106.36 1tqz s PHE 92 Ca 0.19 0.04 0.07 0.00 -0.05 0.00 0.00 56.93 57.17 1tqz s PHE 92 Cb -0.04 0.62 -0.02 0.00 -0.63 0.00 0.00 43.02 42.96 1tqz s PHE 92 CO 0.08 -0.97 -0.23 0.14 -0.05 0.00 0.00 175.22 174.18 1tqz s VAL 93 N -3.72 2.25 0.00 -2.49 -7.23 -0.88 -2.51 120.40 105.82 1tqz s VAL 93 Ca 0.06 -1.02 0.02 0.00 -1.81 0.00 0.00 61.98 59.23 1tqz s VAL 93 Cb -0.03 -1.81 -0.01 0.00 0.56 0.00 0.00 36.38 35.09 1tqz s VAL 93 CO -0.03 0.58 -0.05 -0.51 -0.31 0.00 0.00 175.10 174.77 1tqz s ILE 94 N -0.49 0.40 0.37 -0.62 -1.16 -0.82 -2.07 121.20 116.81 1tqz s ILE 94 Ca 0.06 -0.29 -0.02 0.00 -0.51 0.00 0.00 60.65 59.89 1tqz s ILE 94 Cb -0.11 -0.35 0.01 0.00 0.61 0.00 0.00 42.46 42.61 1tqz s ILE 94 CO 0.01 0.06 0.52 -0.13 -2.81 0.00 0.00 174.94 172.59 1tqz s ARG 95 N -0.25 2.02 0.16 3.50 0.52 0.77 -1.23 118.95 124.44 1tqz s ARG 95 Ca 0.01 -1.80 -0.01 0.00 -0.52 0.00 0.00 55.73 53.41 1tqz s ARG 95 Cb -0.03 0.46 -0.04 0.00 0.52 0.00 0.00 34.95 35.87 1tqz s ARG 95 CO -0.00 -0.85 0.08 0.42 0.02 0.00 0.00 175.30 174.97 1tqz s ILE 96 N -2.82 0.13 0.13 1.52 1.01 -0.66 -4.67 121.20 115.84 1tqz s ILE 96 Ca 0.30 -1.95 0.05 0.00 0.00 0.00 0.00 60.65 59.05 1tqz s ILE 96 Cb -0.01 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 1tqz s ILE 96 CO 0.21 -0.28 -0.12 -1.58 0.00 0.00 0.00 174.94 173.17 1tqz s GLN 97 N -4.08 1.01 -0.48 2.79 2.00 -1.24 -2.17 119.66 117.50 1tqz s GLN 97 Ca 0.30 -1.32 0.03 0.00 -2.00 0.00 0.00 55.36 52.37 1tqz s GLN 97 Cb 0.07 -0.72 0.14 0.00 0.80 0.00 0.00 33.01 33.30 1tqz s GLN 97 CO 0.06 0.12 0.29 0.34 -0.50 0.00 0.00 175.29 175.59 1tqz s ASP 98 N -2.77 3.60 -1.23 6.67 -1.08 0.57 -3.81 116.67 118.63 1tqz s ASP 98 Ca 0.12 -2.88 0.00 0.00 -0.52 0.00 0.00 52.55 49.27 1tqz s ASP 98 Cb -0.01 -1.09 0.00 0.00 -1.46 0.00 0.00 42.92 40.36 1tqz s ASP 98 CO 0.02 -0.23 0.00 0.61 0.52 0.00 0.00 175.17 176.09 1tqz n GLY 99 N 3.21 1.10 1.38 2.66 0.00 -1.26 -1.32 105.19 110.97 1tqz n GLY 99 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 1tqz n GLY 99 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1tqz n THR 100 N -1.78 -0.92 0.00 2.61 -2.24 -1.26 -4.94 114.28 105.75 1tqz n THR 100 Ca -0.12 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1tqz n THR 100 Cb 0.40 -2.94 0.00 0.00 -2.10 0.00 0.00 70.33 65.69 1tqz n THR 100 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tqz n GLY 101 N -1.28 0.05 2.84 3.38 0.00 -0.43 -5.10 105.19 104.65 1tqz n GLY 101 Ca -0.01 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 1tqz n GLY 101 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1tqz s ARG 102 N -0.74 1.14 -0.04 1.61 3.00 -1.10 -4.92 118.95 117.90 1tqz s ARG 102 Ca 0.00 -0.85 0.01 0.00 -1.00 0.00 0.00 55.73 53.88 1tqz s ARG 102 Cb 0.00 -2.36 0.02 0.00 0.00 0.00 0.00 34.95 32.62 1tqz s ARG 102 CO 0.00 -0.69 -0.02 -1.54 0.00 0.00 0.00 175.30 173.04 1tqz s SER 103 N 1.57 0.78 -0.08 -2.12 1.04 -1.26 0.21 113.70 113.84 1tqz s SER 103 Ca -0.01 -0.09 0.01 0.00 0.48 0.00 0.00 55.95 56.35 1tqz s SER 103 Cb -0.18 -0.36 -0.02 0.00 0.10 0.00 0.00 66.02 65.56 1tqz s SER 103 CO -0.10 -0.08 -0.11 0.00 0.98 0.00 0.00 173.24 173.93 1tqz s ALA 104 N 1.01 2.75 -0.13 5.32 0.00 -0.92 -4.93 121.76 124.87 1tqz s ALA 104 Ca -0.10 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 50.92 1tqz s ALA 104 Cb -0.14 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 1tqz s ALA 104 CO -0.01 0.45 -0.04 0.12 0.00 0.00 0.00 175.76 176.29 1tqz s PHE 105 N -0.38 3.03 0.20 0.00 2.19 -1.26 -1.66 117.98 120.10 1tqz s PHE 105 Ca 0.04 -0.15 -0.01 0.00 0.33 0.00 0.00 56.93 57.14 1tqz s PHE 105 Cb -0.12 -1.88 -0.04 0.00 -1.31 0.00 0.00 43.02 39.67 1tqz s PHE 105 CO 0.02 0.12 0.14 -1.50 1.83 0.00 0.00 175.22 175.83 1tqz s ILE 106 N -0.08 0.00 -0.02 3.12 1.10 -0.37 -4.98 121.20 119.97 1tqz s ILE 106 Ca 0.02 -1.99 0.04 0.00 -0.51 0.00 0.00 60.65 58.21 1tqz s ILE 106 Cb -0.13 -2.49 -0.01 0.00 0.15 0.00 0.00 42.46 39.98 1tqz s ILE 106 CO 0.03 -0.00 -0.14 -0.83 -2.11 0.00 0.00 174.94 171.88 1tqz s GLY 107 N -3.16 0.74 0.01 1.50 0.00 -0.97 -1.94 107.32 103.50 1tqz s GLY 107 Ca 0.39 -0.60 -0.04 0.00 0.00 0.00 0.00 44.72 44.47 1tqz s GLY 107 CO 0.12 -0.42 0.06 -0.42 0.00 0.00 0.00 173.10 172.43 1tqz s ILE 108 N -0.18 0.09 0.00 0.90 1.01 -1.04 0.13 121.20 122.11 1tqz s ILE 108 Ca 0.02 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.90 1tqz s ILE 108 Cb -0.07 -0.34 0.00 0.00 0.01 0.00 0.00 42.46 42.05 1tqz s ILE 108 CO 0.00 -0.42 0.00 0.61 0.00 0.00 0.00 174.94 175.13 1tqz n GLY 109 N 1.57 0.96 3.78 6.18 0.00 0.98 -2.65 105.19 116.01 1tqz n GLY 109 Ca -0.23 -0.73 -0.05 0.00 0.00 0.00 0.00 46.02 45.01 1tqz n GLY 109 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1tqz s PHE 110 N -2.77 -0.17 0.00 1.61 5.36 -1.26 -2.87 117.98 117.88 1tqz s PHE 110 Ca 0.00 -0.19 0.00 0.00 -0.96 0.00 0.00 56.93 55.78 1tqz s PHE 110 Cb 0.00 0.66 0.00 0.00 -0.34 0.00 0.00 43.02 43.34 1tqz s PHE 110 CO 0.00 -0.99 0.57 0.25 -1.46 0.00 0.00 175.22 173.58 1tqz n THR 111 N -0.46 0.00 -2.24 0.12 -2.24 -1.26 -4.84 114.28 103.37 1tqz n THR 111 Ca -0.06 1.01 -0.27 0.00 -2.27 0.00 0.00 64.05 62.46 1tqz n THR 111 Cb 0.60 -1.89 0.16 0.00 -2.10 0.00 0.00 70.33 67.10 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 -2.01 3.61 0.00 3.42 1.01 -1.26 -4.95 116.67 116.49 1tqz s ASP 112 Ca 0.00 -0.06 0.00 0.00 0.71 0.00 0.00 52.55 53.20 1tqz s ASP 112 Cb 0.00 -0.11 0.00 0.00 1.01 0.00 0.00 42.92 43.82 1tqz s ASP 112 CO 0.00 -2.38 0.79 0.54 0.21 0.00 0.00 175.17 174.33 1tqz n ARG 113 N -3.36 0.97 0.06 8.23 1.74 -1.26 -4.17 116.66 118.86 1tqz n ARG 113 Ca 0.16 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.21 1tqz n ARG 113 Cb 0.60 -1.18 -0.01 0.00 -1.02 0.00 0.00 32.46 30.85 1tqz n ARG 113 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1tqz h GLY 114 N 5.47 -0.18 0.36 -0.13 0.00 -1.96 -2.98 103.07 103.65 1tqz h GLY 114 Ca 0.00 0.07 0.16 0.00 0.00 0.00 0.00 47.33 47.55 1tqz h GLY 114 CO 0.00 -0.07 0.61 -0.55 0.00 0.00 0.00 176.54 176.53 1tqz h ASP 115 N -0.32 0.76 0.19 0.19 3.32 -1.93 -2.43 116.42 116.20 1tqz h ASP 115 Ca -0.02 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1tqz h ASP 115 Cb 0.13 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 1tqz h ASP 115 CO 0.03 0.35 -0.46 0.00 -1.72 0.00 0.00 179.24 177.44 1tqz h ALA 116 N 1.60 -0.98 -0.75 3.45 0.00 -1.77 1.04 119.26 121.84 1tqz h ALA 116 Ca 0.51 -0.12 0.17 0.00 0.00 0.00 0.00 54.91 55.47 1tqz h ALA 116 Cb 0.75 0.80 -0.11 0.00 0.00 0.00 0.00 17.79 19.24 1tqz h ALA 116 CO -0.28 -1.08 0.19 0.35 0.00 0.00 0.00 179.25 178.44 1tqz h PHE 117 N -0.71 0.30 -0.04 0.00 3.04 -1.28 0.52 116.94 118.77 1tqz h PHE 117 Ca -0.02 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 1tqz h PHE 117 Cb 0.69 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 39.18 1tqz h PHE 117 CO -0.39 -0.09 -0.01 0.22 -2.02 0.00 0.00 178.31 176.03 1tqz h ASP 118 N 0.28 0.08 -0.48 0.41 1.82 -1.05 -1.12 116.42 116.36 1tqz h ASP 118 Ca 0.43 -0.37 -0.02 0.00 -0.39 0.00 0.00 57.03 56.68 1tqz h ASP 118 Cb 0.74 -0.02 -0.03 0.00 0.68 0.00 0.00 39.33 40.70 1tqz h ASP 118 CO -0.52 0.43 0.24 2.19 -1.61 0.00 0.00 179.24 179.97 1tqz h PHE 119 N -0.27 0.73 0.35 0.28 -0.00 0.20 -2.43 116.94 115.79 1tqz h PHE 119 Ca 0.01 -0.02 -0.02 0.00 -0.00 0.00 0.00 57.97 57.94 1tqz h PHE 119 Cb 0.40 -0.23 0.00 0.00 -0.00 0.00 0.00 35.95 36.12 1tqz h PHE 119 CO 0.05 0.55 -0.17 -0.91 -0.00 0.00 0.00 178.31 177.83 1tqz h ASN 120 N 0.74 -0.40 -1.03 -0.68 -0.26 0.09 -2.71 115.58 111.32 1tqz h ASN 120 Ca 0.18 0.01 0.32 0.00 -0.56 0.00 0.00 56.30 56.25 1tqz h ASN 120 Cb 0.10 0.10 -0.14 0.00 -1.06 0.00 0.00 38.32 37.32 1tqz h ASN 120 CO -0.02 -0.17 0.60 -0.37 -1.06 0.00 0.00 177.43 176.41 1tqz h VAL 121 N -0.70 0.33 -0.55 2.81 -1.51 -1.21 0.41 116.25 115.83 1tqz h VAL 121 Ca -0.05 -0.12 -0.04 0.00 -1.23 0.00 0.00 66.70 65.27 1tqz h VAL 121 Cb 0.36 -0.04 -0.02 0.00 -2.13 0.00 0.00 31.29 29.45 1tqz h VAL 121 CO 0.08 0.06 0.20 0.28 -1.23 0.00 0.00 177.57 176.96 1tqz h SER 122 N 0.34 0.77 -0.71 4.19 0.02 -1.47 -2.21 113.55 114.47 1tqz h SER 122 Ca 0.72 -0.18 0.12 0.00 -0.84 0.00 0.00 61.79 61.61 1tqz h SER 122 Cb 1.68 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 63.97 1tqz h SER 122 CO -0.56 0.75 0.47 -0.07 -1.14 0.00 0.00 176.83 176.28 1tqz h LEU 123 N 0.75 0.46 -0.26 5.07 4.07 0.14 0.17 115.31 125.71 1tqz h LEU 123 Ca 0.18 0.02 -0.04 0.00 0.08 0.00 0.00 57.88 58.12 1tqz h LEU 123 Cb 0.23 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 1tqz h LEU 123 CO -0.01 0.26 -0.18 -0.61 -1.08 0.00 0.00 178.44 176.82 1tqz h GLN 124 N 0.50 0.00 0.30 1.13 5.75 -1.08 -3.05 115.11 118.65 1tqz h GLN 124 Ca 0.34 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.82 1tqz h GLN 124 Cb 0.64 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.19 1tqz h GLN 124 CO -0.11 0.18 -0.14 -0.44 -2.65 0.00 0.00 178.83 175.66 1tqz h ASP 125 N 0.00 -0.34 -0.05 -0.69 3.32 -0.08 -0.57 116.42 118.01 1tqz h ASP 125 Ca -0.00 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 1tqz h ASP 125 Cb 1.05 0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.68 1tqz h ASP 125 CO 0.02 0.01 0.00 1.12 -1.72 0.00 0.00 179.24 178.68 1tqz h HIS 126 N -0.73 0.10 0.00 4.55 2.07 -1.62 -3.38 115.15 116.14 1tqz h HIS 126 Ca -0.04 -0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.46 1tqz h HIS 126 Cb 0.49 -0.03 0.00 0.00 2.57 0.00 0.00 27.41 30.45 1tqz h HIS 126 CO 0.02 0.37 0.00 0.34 -3.07 0.00 0.00 177.93 175.60 1tqz n PHE 127 N -4.87 0.00 -1.70 6.12 -0.00 -1.15 -4.70 117.46 111.15 1tqz n PHE 127 Ca -0.07 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 56.96 1tqz n PHE 127 Cb 0.19 -0.06 -0.03 0.00 -0.00 0.00 0.00 39.48 39.57 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 -0.87 4.13 -0.07 -4.13 -0.14 -0.22 -4.96 119.74 113.48 1tqz s LYS 128 Ca 0.00 2.61 -0.22 0.00 -1.36 0.00 0.00 55.97 57.00 1tqz s LYS 128 Cb 0.00 -3.61 -0.04 0.00 -1.68 0.00 0.00 37.83 32.50 1tqz s LYS 128 CO 0.00 -0.85 0.63 1.67 -0.76 0.00 0.00 175.35 176.04 1tqz s TRP 129 N 2.78 3.57 0.24 3.18 -2.14 -1.26 -4.47 118.94 120.83 1tqz s TRP 129 Ca 0.81 1.14 0.00 0.00 2.66 0.00 0.00 56.10 60.72 1tqz s TRP 129 Cb -0.46 -2.71 0.00 0.00 -3.10 0.00 0.00 33.47 27.19 1tqz s TRP 129 CO 0.37 0.14 0.00 0.28 -2.66 0.00 0.00 176.95 175.07 1tqz n VAL 130 N 3.64 0.00 -3.50 -0.66 0.31 -1.26 -5.17 118.33 111.69 1tqz n VAL 130 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1tqz n VAL 130 Cb 0.51 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 33.16 1tqz n VAL 130 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1tqz n LYS 131 N -3.20 0.00 -3.36 5.55 4.81 -1.26 -5.16 118.16 115.54 1tqz n LYS 131 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 1tqz n LYS 131 Cb 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.97 1tqz n LYS 131 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1tqz s GLN 132 N -1.88 0.35 0.00 1.64 -0.21 -1.26 -5.12 119.66 113.18 1tqz s GLN 132 Ca 0.00 0.38 0.00 0.00 0.02 0.00 0.00 55.36 55.76 1tqz s GLN 132 Cb 0.00 -0.51 0.00 0.00 1.00 0.00 0.00 33.01 33.50 1tqz s GLN 132 CO 0.00 -0.75 0.00 -1.91 -2.12 0.00 0.00 175.29 170.51