#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 -4.14 -0.75 -5.12 0.00 -1.26 -5.11 121.76 105.39 1tqz s ALA 2 Ca 0.00 1.28 -0.25 0.00 0.00 0.00 0.00 51.96 52.98 1tqz s ALA 2 Cb 0.00 -2.72 0.04 0.00 0.00 0.00 0.00 23.12 20.45 1tqz s ALA 2 CO 0.00 -1.66 1.21 0.00 0.00 0.00 0.00 175.76 175.32 1tqz s ALA 3 N 3.00 2.85 0.30 0.00 0.00 -1.26 -4.95 121.76 121.71 1tqz s ALA 3 Ca -0.03 -1.59 -0.10 0.00 0.00 0.00 0.00 51.96 50.25 1tqz s ALA 3 Cb -0.06 -4.18 0.01 0.00 0.00 0.00 0.00 23.12 18.89 1tqz s ALA 3 CO -0.09 -3.18 0.53 -2.00 0.00 0.00 0.00 175.76 171.02 1tqz s GLU 4 N 5.20 1.80 -0.39 0.00 2.12 -1.26 -5.11 118.70 121.05 1tqz s GLU 4 Ca 0.33 -1.46 0.10 0.00 0.36 0.00 0.00 54.97 54.30 1tqz s GLU 4 Cb -0.09 0.49 0.31 0.00 0.26 0.00 0.00 34.13 35.10 1tqz s GLU 4 CO 0.11 -0.77 0.73 -0.11 -0.54 0.00 0.00 175.26 174.68 1tqz n LEU 5 N -0.47 -0.00 -2.91 2.70 7.94 -1.26 -4.97 117.00 118.02 1tqz n LEU 5 Ca -0.02 -4.64 -0.14 0.00 -1.11 0.00 0.00 56.01 50.10 1tqz n LEU 5 Cb 0.61 0.73 0.02 0.00 0.53 0.00 0.00 43.42 45.31 1tqz n LEU 5 CO 0.25 2.18 0.05 1.21 -1.11 0.00 0.00 177.39 179.97 1tqz n GLU 6 N 0.71 0.84 -1.73 1.96 2.13 -1.26 -5.14 120.64 118.14 1tqz n GLU 6 Ca 0.20 -2.36 -0.26 0.00 0.66 0.00 0.00 57.16 55.40 1tqz n GLU 6 Cb 0.62 -1.34 0.18 0.00 0.27 0.00 0.00 31.44 31.17 1tqz n GLU 6 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1tqz n TYR 7 N 1.14 -3.95 -2.35 4.31 4.02 -1.26 -4.95 117.16 114.12 1tqz n TYR 7 Ca 0.13 -1.08 -0.40 0.00 -0.01 0.00 0.00 57.90 56.55 1tqz n TYR 7 Cb 0.62 -0.91 -0.03 0.00 -0.02 0.00 0.00 39.34 39.00 1tqz n TYR 7 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1tqz s GLU 8 N -5.57 2.98 -0.30 -0.72 2.56 -1.26 -4.91 118.70 111.48 1tqz s GLU 8 Ca 0.67 0.10 -0.11 0.00 0.00 0.00 0.00 54.97 55.63 1tqz s GLU 8 Cb -0.02 -4.26 0.12 0.00 2.00 0.00 0.00 34.13 31.98 1tqz s GLU 8 CO 0.47 -2.37 0.67 0.45 -0.56 0.00 0.00 175.26 173.93 1tqz s SER 9 N 5.43 -1.08 0.30 -1.70 0.15 -1.26 -4.18 113.70 111.35 1tqz s SER 9 Ca 0.48 1.53 0.05 0.00 0.70 0.00 0.00 55.95 58.70 1tqz s SER 9 Cb -0.10 2.11 0.68 0.00 -1.71 0.00 0.00 66.02 67.00 1tqz s SER 9 CO 0.17 -0.22 1.80 -0.37 1.20 0.00 0.00 173.24 175.83 1tqz h VAL 10 N 5.79 0.78 -4.39 4.45 -1.51 -1.85 -3.46 116.25 116.05 1tqz h VAL 10 Ca -0.20 -0.29 -0.40 0.00 -1.23 0.00 0.00 66.70 64.58 1tqz h VAL 10 Cb 1.13 -0.13 0.03 0.00 -2.13 0.00 0.00 31.29 30.19 1tqz h VAL 10 CO 0.11 0.15 -0.59 0.00 -1.23 0.00 0.00 177.57 176.02 1tqz n LEU 11 N -4.71 -2.43 -4.75 4.19 -0.00 -1.22 -4.69 117.00 103.39 1tqz n LEU 11 Ca 0.22 -0.25 -0.40 0.00 -0.00 0.00 0.00 56.01 55.58 1tqz n LEU 11 Cb 0.50 -2.86 -0.06 0.00 -0.00 0.00 0.00 43.42 41.00 1tqz n LEU 11 CO 0.24 0.16 0.59 0.00 -0.00 0.00 0.00 177.39 178.38 1tqz s VAL 13 N -0.89 0.11 -0.30 0.00 -7.23 -1.26 -0.30 120.40 110.53 1tqz s VAL 13 Ca 0.40 -0.94 -0.10 0.00 -1.81 0.00 0.00 61.98 59.53 1tqz s VAL 13 Cb -0.24 -1.27 0.18 0.00 0.56 0.00 0.00 36.38 35.61 1tqz s VAL 13 CO 0.29 -0.52 1.02 -0.75 -0.31 0.00 0.00 175.10 174.84 1tqz s LYS 14 N -3.84 0.17 0.51 4.82 2.47 0.11 -4.94 119.74 119.05 1tqz s LYS 14 Ca 0.04 0.19 0.32 0.00 -1.56 0.00 0.00 55.97 54.96 1tqz s LYS 14 Cb 0.04 0.09 1.25 0.00 -1.46 0.00 0.00 37.83 37.75 1tqz s LYS 14 CO -0.11 -0.31 1.93 -1.00 0.16 0.00 0.00 175.35 176.02 1tqz h PRO 15 N 7.39 0.00 -3.94 4.03 0.13 -1.89 -0.89 132.00 136.84 1tqz h PRO 15 Ca -0.09 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.33 1tqz h PRO 15 Cb 1.18 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.97 1tqz h PRO 15 CO -0.08 0.00 -0.38 0.34 -0.23 0.00 0.00 178.00 177.64 1tqz s ASP 16 N -5.59 5.41 0.02 1.44 -1.08 -1.26 -4.03 116.67 111.58 1tqz s ASP 16 Ca 0.02 -2.50 -0.27 0.00 -0.52 0.00 0.00 52.55 49.28 1tqz s ASP 16 Cb 0.09 -1.89 0.06 0.00 -1.46 0.00 0.00 42.92 39.72 1tqz s ASP 16 CO 0.54 -0.47 0.61 0.54 0.52 0.00 0.00 175.17 176.91 1tqz s VAL 17 N 0.46 0.01 -0.08 1.11 0.11 -1.11 -5.02 120.40 115.88 1tqz s VAL 17 Ca 0.13 -0.08 0.04 0.00 -2.93 0.00 0.00 61.98 59.14 1tqz s VAL 17 Cb -0.21 -0.98 0.00 0.00 -1.53 0.00 0.00 36.38 33.66 1tqz s VAL 17 CO -0.04 -0.04 -0.20 -0.55 -3.33 0.00 0.00 175.10 170.94 1tqz s SER 18 N -1.74 2.62 -0.05 3.54 0.15 -1.22 -1.93 113.70 115.07 1tqz s SER 18 Ca -0.07 -0.46 -0.00 0.00 0.70 0.00 0.00 55.95 56.11 1tqz s SER 18 Cb -0.01 -1.17 -0.03 0.00 -1.71 0.00 0.00 66.02 63.10 1tqz s SER 18 CO 0.02 0.12 -0.00 -0.69 1.20 0.00 0.00 173.24 173.89 1tqz s VAL 19 N 0.42 4.21 0.29 4.45 1.01 -0.14 -1.75 120.40 128.89 1tqz s VAL 19 Ca -0.16 -0.41 0.10 0.00 0.00 0.00 0.00 61.98 61.50 1tqz s VAL 19 Cb -0.17 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 1tqz s VAL 19 CO 0.07 0.51 -0.02 -0.31 0.00 0.00 0.00 175.10 175.34 1tqz s TYR 20 N -0.97 2.60 -0.12 5.22 1.51 0.54 0.51 117.35 126.65 1tqz s TYR 20 Ca 0.16 -0.29 0.01 0.00 -1.01 0.00 0.00 57.07 55.94 1tqz s TYR 20 Cb -0.11 -1.25 0.02 0.00 -0.11 0.00 0.00 41.96 40.51 1tqz s TYR 20 CO 0.06 0.59 -0.14 0.50 -1.11 0.00 0.00 175.55 175.45 1tqz s ARG 21 N -3.67 2.15 -0.78 -0.62 3.52 -0.57 -2.19 118.95 116.79 1tqz s ARG 21 Ca 0.32 -0.52 0.03 0.00 -0.13 0.00 0.00 55.73 55.43 1tqz s ARG 21 Cb -0.05 -1.92 0.24 0.00 -1.56 0.00 0.00 34.95 31.66 1tqz s ARG 21 CO 0.19 -0.15 0.83 -0.89 -0.81 0.00 0.00 175.30 174.47 1tqz n ILE 22 N 4.51 2.86 -1.64 4.11 -0.00 -1.26 -4.58 119.36 123.36 1tqz n ILE 22 Ca -0.17 -5.25 -0.63 0.00 -0.00 0.00 0.00 62.75 56.69 1tqz n ILE 22 Cb 0.51 -2.17 -0.09 0.00 -0.00 0.00 0.00 39.64 37.88 1tqz n ILE 22 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 1tqz n PRO 23 N 1.43 0.38 -1.12 0.38 -0.04 -1.26 -4.91 135.00 129.86 1tqz n PRO 23 Ca 0.26 0.13 -0.30 0.00 -0.04 0.00 0.00 63.50 63.55 1tqz n PRO 23 Cb 0.38 -1.72 0.13 0.00 -0.04 0.00 0.00 33.50 32.24 1tqz n PRO 23 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1tqz s PRO 24 N 3.85 1.58 0.00 0.54 0.04 -1.26 -5.02 135.00 134.73 1tqz s PRO 24 Ca 1.06 1.09 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1tqz s PRO 24 Cb -1.34 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 31.37 1tqz s PRO 24 CO 0.73 -2.10 0.00 -2.13 0.04 0.00 0.00 177.00 173.54 1tqz n ARG 25 N -3.82 0.00 -2.66 4.56 0.00 -1.26 -5.08 116.66 108.40 1tqz n ARG 25 Ca 0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.89 1tqz n ARG 25 Cb 0.54 0.00 0.08 0.00 0.00 0.00 0.00 32.46 33.08 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 -2.49 -3.48 -3.52 5.13 0.00 -1.26 -5.17 120.51 109.72 1tqz n ALA 26 Ca 0.00 -0.33 -0.09 0.00 0.00 0.00 0.00 53.44 53.02 1tqz n ALA 26 Cb 0.00 -3.21 -0.02 0.00 0.00 0.00 0.00 19.45 16.22 1tqz n ALA 26 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1tqz s SER 27 N -0.25 -0.39 -0.07 0.00 0.01 -1.26 -5.10 113.70 106.64 1tqz s SER 27 Ca 0.25 -0.07 -0.05 0.00 1.31 0.00 0.00 55.95 57.39 1tqz s SER 27 Cb 0.22 0.46 -0.02 0.00 0.21 0.00 0.00 66.02 66.90 1tqz s SER 27 CO -0.11 -0.77 -0.10 0.59 0.41 0.00 0.00 173.24 173.27 1tqz n ASN 28 N -0.31 0.89 -4.71 2.44 4.13 -1.26 -4.94 115.26 111.50 1tqz n ASN 28 Ca -0.10 0.39 -0.42 0.00 1.68 0.00 0.00 54.58 56.13 1tqz n ASN 28 Cb 0.62 -0.67 0.00 0.00 -1.54 0.00 0.00 39.78 38.19 1tqz n ASN 28 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 1tqz n ARG 29 N -3.41 2.13 -3.47 3.52 -4.01 -1.26 -4.98 116.66 105.18 1tqz n ARG 29 Ca -0.04 0.75 -0.34 0.00 -1.04 0.00 0.00 57.85 57.18 1tqz n ARG 29 Cb 0.15 -2.39 -0.05 0.00 -3.04 0.00 0.00 32.46 27.13 1tqz n ARG 29 CO 0.00 0.00 0.00 0.20 -3.04 0.00 0.00 177.63 174.79 1tqz s GLY 30 N -0.36 2.35 -0.21 2.89 0.00 -1.26 -5.03 107.32 105.70 1tqz s GLY 30 Ca 0.57 -0.29 -0.29 0.00 0.00 0.00 0.00 44.72 44.71 1tqz s GLY 30 CO 0.61 -0.08 1.40 -0.47 0.00 0.00 0.00 173.10 174.56 1tqz s TYR 31 N -1.56 2.53 0.56 1.90 5.04 -1.26 -4.98 117.35 119.58 1tqz s TYR 31 Ca 0.39 0.77 -0.21 0.00 -2.44 0.00 0.00 57.07 55.58 1tqz s TYR 31 Cb -0.13 -3.78 -0.04 0.00 0.35 0.00 0.00 41.96 38.35 1tqz s TYR 31 CO 0.20 -2.23 1.34 -0.98 -1.34 0.00 0.00 175.55 172.54 1tqz s ARG 32 N 4.03 3.06 0.00 4.97 3.03 -1.26 -4.75 118.95 128.03 1tqz s ARG 32 Ca 0.61 2.18 0.08 0.00 2.03 0.00 0.00 55.73 60.63 1tqz s ARG 32 Cb -0.22 -2.18 0.49 0.00 -1.03 0.00 0.00 34.95 32.00 1tqz s ARG 32 CO 0.22 -1.24 1.01 0.00 -1.13 0.00 0.00 175.30 174.16 1tqz n ALA 33 N -1.17 1.75 -0.16 7.88 0.00 -1.26 -1.98 120.51 125.56 1tqz n ALA 33 Ca 0.11 -0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.57 1tqz n ALA 33 Cb 0.46 -1.14 0.36 0.00 0.00 0.00 0.00 19.45 19.13 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 0.64 0.00 0.00 0.87 -1.89 -3.30 113.55 109.87 1tqz h SER 34 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1tqz h SER 34 Cb 0.02 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 1tqz h SER 34 CO 0.00 0.42 -0.03 -0.67 -0.53 0.00 0.00 176.83 176.02 1tqz n ASP 35 N -4.48 0.00 -0.01 6.23 2.03 -1.13 -4.89 116.55 114.30 1tqz n ASP 35 Ca 0.10 -1.05 -0.17 0.00 0.52 0.00 0.00 54.79 54.18 1tqz n ASP 35 Cb 0.21 -0.01 -0.14 0.00 -0.72 0.00 0.00 41.12 40.46 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 0.27 -2.88 -0.67 -0.00 -1.47 -3.50 115.95 107.69 1tqz h TRP 36 Ca 0.00 -0.20 0.29 0.00 -0.00 0.00 0.00 58.89 58.98 1tqz h TRP 36 Cb 1.02 -0.01 -0.12 0.00 -0.00 0.00 0.00 29.16 30.05 1tqz h TRP 36 CO 0.00 1.17 -0.76 1.17 -0.00 0.00 0.00 178.44 180.02 1tqz n LYS 37 N -4.36 -2.47 -2.68 2.65 4.81 -1.26 -4.98 118.16 109.87 1tqz n LYS 37 Ca -0.12 1.88 -0.03 0.00 -0.87 0.00 0.00 58.31 59.17 1tqz n LYS 37 Cb 0.66 -3.05 0.03 0.00 0.02 0.00 0.00 35.03 32.69 1tqz n LYS 37 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1tqz s LEU 38 N -6.36 -0.32 0.14 3.14 2.96 -1.26 -5.02 118.68 111.97 1tqz s LEU 38 Ca 0.00 -0.37 0.20 0.00 -0.22 0.00 0.00 54.13 53.75 1tqz s LEU 38 Cb 0.00 0.41 -0.06 0.00 0.50 0.00 0.00 46.19 47.04 1tqz s LEU 38 CO 0.00 -0.01 0.93 0.47 -1.32 0.00 0.00 176.35 176.42 1tqz n ASP 39 N 2.65 0.82 0.00 3.68 8.00 -1.26 -4.62 116.55 125.81 1tqz n ASP 39 Ca 0.11 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.95 1tqz n ASP 39 Cb 0.65 0.41 0.00 0.00 -0.02 0.00 0.00 41.12 42.15 1tqz n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1tqz n GLN 40 N -2.74 0.00 -2.08 -1.24 3.00 -1.26 -4.70 117.38 108.36 1tqz n GLN 40 Ca -0.04 0.23 -0.30 0.00 -0.01 0.00 0.00 57.00 56.88 1tqz n GLN 40 Cb 0.66 -0.68 -0.04 0.00 0.00 0.00 0.00 30.24 30.18 1tqz n GLN 40 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1tqz s PRO 41 N -0.70 2.64 -0.38 -1.09 0.04 -1.26 -4.65 135.00 129.59 1tqz s PRO 41 Ca 0.00 -0.14 -0.00 0.00 0.04 0.00 0.00 61.00 60.90 1tqz s PRO 41 Cb 0.00 -4.92 0.26 0.00 0.04 0.00 0.00 34.50 29.88 1tqz s PRO 41 CO 0.00 -3.15 1.11 -0.40 0.04 0.00 0.00 177.00 174.59 1tqz n ASP 42 N 13.35 -1.86 -4.77 6.66 5.75 -1.23 -1.51 116.55 132.95 1tqz n ASP 42 Ca 0.35 -2.19 -0.30 0.00 -0.01 0.00 0.00 54.79 52.63 1tqz n ASP 42 Cb 0.48 1.08 0.10 0.00 -1.03 0.00 0.00 41.12 41.75 1tqz n ASP 42 CO 0.00 0.00 0.00 -1.66 -0.11 0.00 0.00 177.20 175.43 1tqz s TRP 43 N 0.38 2.63 -0.11 2.11 1.48 0.18 -4.73 118.94 120.88 1tqz s TRP 43 Ca 0.28 1.36 0.01 0.00 -1.06 0.00 0.00 56.10 56.68 1tqz s TRP 43 Cb 0.20 -3.07 -0.02 0.00 -1.16 0.00 0.00 33.47 29.42 1tqz s TRP 43 CO -0.13 -1.89 -0.14 0.99 -4.06 0.00 0.00 176.95 171.72 1tqz s THR 44 N -2.99 3.02 -0.01 0.66 2.01 -1.26 -0.97 115.64 116.11 1tqz s THR 44 Ca 0.61 -0.69 -0.07 0.00 0.31 0.00 0.00 61.69 61.86 1tqz s THR 44 Cb -0.16 -2.25 0.02 0.00 0.01 0.00 0.00 72.50 70.12 1tqz s THR 44 CO 0.56 0.54 0.30 0.61 -0.69 0.00 0.00 174.62 175.94 1tqz n GLY 45 N 3.27 0.50 3.76 4.40 0.00 -0.81 -4.78 105.19 111.53 1tqz n GLY 45 Ca -0.18 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 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 3.12 -0.02 1.61 1.70 0.11 -2.74 118.95 120.73 1tqz s ARG 46 Ca 0.07 -0.36 0.05 0.00 -0.47 0.00 0.00 55.73 55.03 1tqz s ARG 46 Cb -0.00 -2.91 -0.01 0.00 -0.57 0.00 0.00 34.95 31.45 1tqz s ARG 46 CO -0.00 0.71 -0.18 -1.17 -1.08 0.00 0.00 175.30 173.58 1tqz s LEU 47 N -1.14 2.02 -0.01 -1.89 0.20 -0.34 -2.46 118.68 115.06 1tqz s LEU 47 Ca 0.16 -0.33 -0.21 0.00 0.69 0.00 0.00 54.13 54.44 1tqz s LEU 47 Cb -0.12 -0.94 0.04 0.00 -0.43 0.00 0.00 46.19 44.74 1tqz s LEU 47 CO 0.06 0.22 0.46 0.00 -0.29 0.00 0.00 176.35 176.79 1tqz s ARG 48 N -0.39 0.86 0.08 1.98 3.03 -1.12 -0.71 118.95 122.68 1tqz s ARG 48 Ca 0.06 -0.08 0.02 0.00 2.03 0.00 0.00 55.73 57.76 1tqz s ARG 48 Cb -0.07 0.39 -0.04 0.00 -1.03 0.00 0.00 34.95 34.20 1tqz s ARG 48 CO -0.00 -0.26 -0.07 0.96 -1.13 0.00 0.00 175.30 174.79 1tqz s ILE 49 N -1.55 0.66 0.18 4.99 -4.36 0.59 -1.94 121.20 119.76 1tqz s ILE 49 Ca -0.11 -1.61 -0.23 0.00 -0.26 0.00 0.00 60.65 58.44 1tqz s ILE 49 Cb -0.03 -1.28 0.06 0.00 1.25 0.00 0.00 42.46 42.47 1tqz s ILE 49 CO 0.05 -0.68 0.95 0.42 0.24 0.00 0.00 174.94 175.92 1tqz s THR 50 N -2.74 0.00 -0.15 8.37 -4.23 -1.15 -2.06 115.64 113.68 1tqz s THR 50 Ca 0.04 -0.69 -0.10 0.00 -1.18 0.00 0.00 61.69 59.76 1tqz s THR 50 Cb -0.01 -2.26 0.05 0.00 1.34 0.00 0.00 72.50 71.62 1tqz s THR 50 CO -0.03 0.00 0.36 -0.94 -0.54 0.00 0.00 174.62 173.48 1tqz s SER 51 N -3.06 -0.42 0.09 3.99 1.04 -1.26 -1.88 113.70 112.20 1tqz s SER 51 Ca 0.15 0.77 -0.27 0.00 0.48 0.00 0.00 55.95 57.08 1tqz s SER 51 Cb -0.02 0.69 -0.14 0.00 0.10 0.00 0.00 66.02 66.65 1tqz s SER 51 CO 0.04 -0.17 1.68 0.11 0.98 0.00 0.00 173.24 175.88 1tqz h LYS 52 N 6.65 -0.39 0.00 4.02 1.57 -1.78 -3.39 116.57 123.26 1tqz h LYS 52 Ca -0.34 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1tqz h LYS 52 Cb 1.18 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1tqz h LYS 52 CO 0.31 -0.26 0.00 0.41 -0.57 0.00 0.00 179.45 179.34 1tqz n GLY 53 N -1.29 -1.48 0.10 3.86 0.00 -1.26 -4.67 105.19 100.45 1tqz n GLY 53 Ca -0.09 0.53 -0.10 0.00 0.00 0.00 0.00 46.02 46.36 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 -3.08 0.67 -4.04 1.61 -0.00 -1.26 -4.84 118.16 107.22 1tqz n LYS 54 Ca 0.00 0.08 -0.23 0.00 -0.00 0.00 0.00 58.31 58.16 1tqz n LYS 54 Cb 0.00 -1.60 -0.06 0.00 -0.00 0.00 0.00 35.03 33.37 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 -2.52 2.83 0.04 0.58 2.07 -1.26 -4.65 121.20 118.29 1tqz s ILE 55 Ca -0.09 -1.65 0.01 0.00 -1.41 0.00 0.00 60.65 57.50 1tqz s ILE 55 Cb 0.07 -2.99 -0.03 0.00 0.13 0.00 0.00 42.46 39.64 1tqz s ILE 55 CO 0.82 -0.12 -0.05 0.00 -1.91 0.00 0.00 174.94 173.68 1tqz s ALA 56 N -2.47 0.41 -0.13 1.50 0.00 -0.88 -2.96 121.76 117.23 1tqz s ALA 56 Ca 0.40 -0.83 -0.18 0.00 0.00 0.00 0.00 51.96 51.35 1tqz s ALA 56 Cb -0.01 0.14 0.04 0.00 0.00 0.00 0.00 23.12 23.29 1tqz s ALA 56 CO 0.23 -0.16 0.47 1.52 0.00 0.00 0.00 175.76 177.81 1tqz s TYR 57 N -2.10 -0.47 -0.17 0.00 -0.85 -0.79 0.61 117.35 113.59 1tqz s TYR 57 Ca -0.07 1.05 -0.08 0.00 -0.52 0.00 0.00 57.07 57.45 1tqz s TYR 57 Cb -0.05 0.19 -0.04 0.00 0.38 0.00 0.00 41.96 42.43 1tqz s TYR 57 CO -0.03 -0.32 0.09 0.96 -1.52 0.00 0.00 175.55 174.73 1tqz s ILE 58 N -0.24 5.06 -0.03 -3.49 -5.25 -0.98 -2.91 121.20 113.35 1tqz s ILE 58 Ca -0.04 0.06 0.05 0.00 -0.99 0.00 0.00 60.65 59.72 1tqz s ILE 58 Cb -0.03 -3.26 -0.03 0.00 2.95 0.00 0.00 42.46 42.09 1tqz s ILE 58 CO 0.02 0.50 -0.16 -0.54 -1.79 0.00 0.00 174.94 172.98 1tqz s LYS 59 N -0.03 2.39 0.10 0.37 1.02 -0.82 -1.76 119.74 121.01 1tqz s LYS 59 Ca 0.08 -0.77 0.07 0.00 0.02 0.00 0.00 55.97 55.36 1tqz s LYS 59 Cb -0.12 -2.32 -0.03 0.00 -0.52 0.00 0.00 37.83 34.84 1tqz s LYS 59 CO 0.00 0.60 -0.17 -0.51 -0.92 0.00 0.00 175.35 174.35 1tqz s LEU 60 N -0.89 2.32 -0.03 3.17 1.43 0.13 -2.79 118.68 122.02 1tqz s LEU 60 Ca 0.12 -0.69 -0.30 0.00 -1.03 0.00 0.00 54.13 52.23 1tqz s LEU 60 Cb -0.11 -0.69 0.11 0.00 0.03 0.00 0.00 46.19 45.54 1tqz s LEU 60 CO 0.02 -0.03 1.11 -0.70 0.23 0.00 0.00 176.35 176.98 1tqz s GLU 61 N -2.01 0.63 0.09 1.70 2.12 -1.03 -2.81 118.70 117.38 1tqz s GLU 61 Ca 0.04 -0.30 -0.23 0.00 0.36 0.00 0.00 54.97 54.84 1tqz s GLU 61 Cb -0.09 0.25 -0.07 0.00 0.26 0.00 0.00 34.13 34.48 1tqz s GLU 61 CO 0.03 -0.28 0.69 0.34 -0.54 0.00 0.00 175.26 175.50 1tqz s ASP 62 N -2.64 7.20 0.00 -1.70 2.15 -0.97 0.08 116.67 120.80 1tqz s ASP 62 Ca 0.10 1.42 0.12 0.00 0.43 0.00 0.00 52.55 54.63 1tqz s ASP 62 Cb 0.01 -2.43 0.60 0.00 -0.30 0.00 0.00 42.92 40.79 1tqz s ASP 62 CO -0.04 0.17 1.27 1.17 -0.17 0.00 0.00 175.17 177.57 1tqz n LYS 63 N 2.07 0.18 -0.02 4.34 4.81 -1.26 -3.52 118.16 124.77 1tqz n LYS 63 Ca -0.06 0.16 -0.00 0.00 -0.87 0.00 0.00 58.31 57.53 1tqz n LYS 63 Cb 0.50 -1.50 -0.00 0.00 0.02 0.00 0.00 35.03 34.05 1tqz n LYS 63 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1tqz h VAL 64 N 0.00 0.00 0.00 3.15 2.07 -1.93 -3.49 116.25 116.05 1tqz h VAL 64 Ca 0.00 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1tqz h VAL 64 Cb 0.10 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 1tqz h VAL 64 CO 0.00 0.00 0.00 -0.24 0.02 0.00 0.00 177.57 177.35 1tqz n SER 65 N -2.86 0.00 0.00 0.57 2.88 -1.23 -5.09 113.62 107.89 1tqz n SER 65 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1tqz n SER 65 Cb 0.02 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 1tqz n SER 65 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1tqz n GLY 66 N 0.00 1.16 4.05 0.46 0.00 -1.25 -5.01 105.19 104.59 1tqz n GLY 66 Ca 0.00 -0.64 0.01 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 -0.09 -0.23 1.61 4.07 -1.26 -2.29 120.64 122.45 1tqz n GLU 67 Ca 0.00 0.06 0.00 0.00 -0.06 0.00 0.00 57.16 57.16 1tqz n GLU 67 Cb 0.00 -0.11 0.07 0.00 -0.06 0.00 0.00 31.44 31.35 1tqz n GLU 67 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1tqz h LEU 68 N 0.00 -0.61 -0.97 4.31 3.38 -1.97 -3.47 115.31 115.97 1tqz h LEU 68 Ca 0.00 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1tqz h LEU 68 Cb 0.04 0.41 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1tqz h LEU 68 CO 0.00 -0.22 -0.66 0.33 0.09 0.00 0.00 178.44 177.98 1tqz n PHE 69 N -5.45 -3.38 -3.78 1.13 7.35 -1.26 -5.08 117.46 106.99 1tqz n PHE 69 Ca 0.09 1.83 -0.13 0.00 -0.76 0.00 0.00 57.45 58.47 1tqz n PHE 69 Cb 0.35 -3.06 -0.09 0.00 0.35 0.00 0.00 39.48 37.03 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 -1.39 -0.71 0.16 3.13 0.00 -1.12 -5.00 121.76 116.83 1tqz s ALA 70 Ca 0.00 0.24 -0.12 0.00 0.00 0.00 0.00 51.96 52.08 1tqz s ALA 70 Cb 0.00 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.22 1tqz s ALA 70 CO 0.00 -0.26 0.35 1.14 0.00 0.00 0.00 175.76 176.99 1tqz s GLN 71 N -1.41 1.19 -0.17 0.00 1.03 -1.26 0.21 119.66 119.25 1tqz s GLN 71 Ca -0.13 -1.04 -0.04 0.00 0.04 0.00 0.00 55.36 54.19 1tqz s GLN 71 Cb -0.05 0.42 0.08 0.00 0.03 0.00 0.00 33.01 33.49 1tqz s GLN 71 CO 0.03 -0.46 0.23 0.00 -2.54 0.00 0.00 175.29 172.56 1tqz s ALA 72 N -3.92 -0.35 0.28 2.60 0.00 -0.72 -5.02 121.76 114.63 1tqz s ALA 72 Ca 0.13 0.49 -0.29 0.00 0.00 0.00 0.00 51.96 52.29 1tqz s ALA 72 Cb 0.02 -1.18 -0.10 0.00 0.00 0.00 0.00 23.12 21.86 1tqz s ALA 72 CO -0.02 -0.97 1.36 -1.25 0.00 0.00 0.00 175.76 174.88 1tqz s PRO 73 N 2.35 4.32 0.02 0.00 0.04 -1.26 -2.33 135.00 138.14 1tqz s PRO 73 Ca 0.05 2.24 0.08 0.00 0.04 0.00 0.00 61.00 63.40 1tqz s PRO 73 Cb -0.14 -3.10 -0.02 0.00 0.04 0.00 0.00 34.50 31.27 1tqz s PRO 73 CO -0.10 -0.29 -0.23 0.08 0.04 0.00 0.00 177.00 176.49 1tqz s VAL 74 N -0.53 1.86 -0.93 -0.36 1.01 0.20 -4.95 120.40 116.71 1tqz s VAL 74 Ca 0.54 -1.16 0.14 0.00 0.00 0.00 0.00 61.98 61.50 1tqz s VAL 74 Cb -0.40 -1.58 0.12 0.00 0.00 0.00 0.00 36.38 34.52 1tqz s VAL 74 CO 0.47 0.38 1.43 -0.62 0.00 0.00 0.00 175.10 176.77 1tqz n GLU 75 N 2.12 0.02 -1.34 2.72 -0.58 -1.26 -2.07 120.64 120.25 1tqz n GLU 75 Ca -0.16 0.31 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 1tqz n GLU 75 Cb 0.52 -1.55 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 1tqz n GLU 75 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1tqz n GLN 76 N -1.59 -3.78 0.00 3.49 0.00 -1.26 -4.49 117.38 109.74 1tqz n GLN 76 Ca 0.03 2.77 0.00 0.00 -0.00 0.00 0.00 57.00 59.80 1tqz n GLN 76 Cb 0.15 -3.08 0.00 0.00 0.00 0.00 0.00 30.24 27.31 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 -0.28 0.00 -0.77 3.69 4.19 -1.26 -4.90 117.16 117.83 1tqz n TYR 77 Ca 0.00 0.00 -0.25 0.00 3.31 0.00 0.00 57.90 60.96 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 1.86 -2.61 2.98 -0.04 -1.26 -4.88 135.00 131.04 1tqz n PRO 78 Ca 0.00 -1.47 -0.43 0.00 -0.04 0.00 0.00 63.50 61.56 1tqz n PRO 78 Cb 0.00 -2.51 -0.02 0.00 -0.04 0.00 0.00 33.50 30.93 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 3.79 1.61 0.00 0.55 0.00 -1.26 -3.82 107.32 108.20 1tqz s GLY 79 Ca 0.40 0.11 0.00 0.00 0.00 0.00 0.00 44.72 45.23 1tqz s GLY 79 CO -0.00 2.28 0.00 4.51 0.00 0.00 0.00 173.10 179.89 1tqz n ILE 80 N 5.61 0.00 -1.37 0.90 0.13 -1.26 -5.04 119.36 118.33 1tqz n ILE 80 Ca 0.12 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.77 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 0.00 -2.37 -3.69 1.51 0.00 -1.26 -4.07 120.51 110.63 1tqz n ALA 81 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1tqz n ALA 81 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 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 -1.45 -0.09 0.14 0.00 -7.23 -1.26 0.10 120.40 110.61 1tqz s VAL 82 Ca 0.00 0.11 -0.11 0.00 -1.81 0.00 0.00 61.98 60.17 1tqz s VAL 82 Cb 0.00 -0.60 0.00 0.00 0.56 0.00 0.00 36.38 36.34 1tqz s VAL 82 CO 0.00 0.04 0.30 -1.61 -0.31 0.00 0.00 175.10 173.52 1tqz s GLU 83 N 1.53 1.09 0.00 4.82 0.41 -0.03 -5.02 118.70 121.49 1tqz s GLU 83 Ca -0.09 -1.02 0.00 0.00 -0.41 0.00 0.00 54.97 53.45 1tqz s GLU 83 Cb -0.09 0.40 0.00 0.00 -1.78 0.00 0.00 34.13 32.66 1tqz s GLU 83 CO -0.13 -0.40 0.00 0.25 -0.49 0.00 0.00 175.26 174.50 1tqz n THR 84 N -0.19 0.00 -2.08 3.63 -2.24 -1.26 0.02 114.28 112.16 1tqz n THR 84 Ca -0.11 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.27 1tqz n THR 84 Cb 0.63 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.83 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 -0.46 3.47 -1.17 2.28 -7.23 -1.26 -4.82 120.40 111.20 1tqz s VAL 85 Ca 0.00 0.38 0.01 0.00 -1.81 0.00 0.00 61.98 60.56 1tqz s VAL 85 Cb 0.00 -3.91 0.01 0.00 0.56 0.00 0.00 36.38 33.04 1tqz s VAL 85 CO 0.00 -0.77 0.95 0.35 -0.31 0.00 0.00 175.10 175.33 1tqz n THR 86 N 7.24 1.59 -1.71 5.32 -2.24 -1.26 -2.24 114.28 120.98 1tqz n THR 86 Ca 0.20 0.40 0.00 0.00 -2.27 0.00 0.00 64.05 62.38 1tqz n THR 86 Cb 0.50 -1.38 0.00 0.00 -2.10 0.00 0.00 70.33 67.35 1tqz n THR 86 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1tqz n ASP 87 N -1.41 0.00 -0.26 3.42 9.92 -1.26 -5.11 116.55 121.84 1tqz n ASP 87 Ca 0.00 -1.39 0.00 0.00 -0.53 0.00 0.00 54.79 52.87 1tqz n ASP 87 Cb 0.01 -0.08 0.00 0.00 -0.64 0.00 0.00 41.12 40.41 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 0.00 -1.71 0.00 -2.24 2.88 -0.95 -4.88 113.62 106.72 1tqz n SER 88 Ca 0.00 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 1tqz n SER 88 Cb 0.58 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 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 -1.44 0.00 -0.82 -3.46 2.88 -1.26 -4.11 113.62 105.41 1tqz n SER 89 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1tqz n SER 89 Cb 0.05 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.51 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 0.04 -2.25 -1.46 -4.01 -1.26 -5.10 116.66 102.61 1tqz n ARG 90 Ca 0.00 -0.13 -0.01 0.00 -1.04 0.00 0.00 57.85 56.67 1tqz n ARG 90 Cb 0.00 0.39 0.01 0.00 -3.04 0.00 0.00 32.46 29.82 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 -0.05 -0.79 -3.88 2.89 4.11 -1.26 -4.40 117.16 113.78 1tqz n TYR 91 Ca -0.03 -0.41 -0.08 0.00 -0.00 0.00 0.00 57.90 57.38 1tqz n TYR 91 Cb 0.36 0.20 -0.01 0.00 -0.00 0.00 0.00 39.34 39.89 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 -4.59 0.06 -0.06 -3.48 -0.12 -1.02 -4.06 117.98 104.72 1tqz s PHE 92 Ca 0.08 -0.55 0.04 0.00 -0.05 0.00 0.00 56.93 56.45 1tqz s PHE 92 Cb -0.01 0.61 -0.00 0.00 -0.63 0.00 0.00 43.02 43.00 1tqz s PHE 92 CO 0.02 -1.28 -0.18 0.08 -0.05 0.00 0.00 175.22 173.80 1tqz s VAL 93 N -3.45 1.57 -0.06 -2.49 1.01 0.10 -2.28 120.40 114.81 1tqz s VAL 93 Ca 0.15 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1tqz s VAL 93 Cb -0.05 -1.36 0.01 0.00 0.00 0.00 0.00 36.38 34.99 1tqz s VAL 93 CO 0.09 0.45 -0.11 0.27 0.00 0.00 0.00 175.10 175.80 1tqz s ILE 94 N 0.18 1.05 0.18 2.22 -5.25 0.12 -0.85 121.20 118.85 1tqz s ILE 94 Ca -0.08 -0.45 0.04 0.00 -0.99 0.00 0.00 60.65 59.16 1tqz s ILE 94 Cb -0.14 -0.96 -0.05 0.00 2.95 0.00 0.00 42.46 44.27 1tqz s ILE 94 CO 0.04 0.33 -0.05 -0.60 -1.79 0.00 0.00 174.94 172.87 1tqz s ARG 95 N 0.56 1.17 0.16 0.37 3.52 0.29 -0.14 118.95 124.87 1tqz s ARG 95 Ca -0.12 -1.54 0.07 0.00 -0.13 0.00 0.00 55.73 54.01 1tqz s ARG 95 Cb -0.14 -0.58 -0.04 0.00 -1.56 0.00 0.00 34.95 32.63 1tqz s ARG 95 CO 0.03 -0.01 -0.16 0.42 -0.81 0.00 0.00 175.30 174.77 1tqz s ILE 96 N -3.40 1.60 0.03 4.11 1.01 0.19 -4.27 121.20 120.47 1tqz s ILE 96 Ca 0.22 -1.92 0.00 0.00 0.00 0.00 0.00 60.65 58.95 1tqz s ILE 96 Cb 0.04 -1.78 -0.02 0.00 0.01 0.00 0.00 42.46 40.71 1tqz s ILE 96 CO 0.04 -0.43 -0.03 -1.58 0.00 0.00 0.00 174.94 172.93 1tqz s GLN 97 N -2.98 0.36 -0.15 2.79 2.00 -1.25 -1.48 119.66 118.94 1tqz s GLN 97 Ca 0.15 -0.69 -0.30 0.00 -2.00 0.00 0.00 55.36 52.52 1tqz s GLN 97 Cb -0.04 0.10 0.13 0.00 0.80 0.00 0.00 33.01 34.00 1tqz s GLN 97 CO 0.05 -0.05 1.04 0.16 -0.50 0.00 0.00 175.29 175.99 1tqz s ASP 98 N -1.64 -0.31 0.00 6.67 1.47 -0.60 -4.44 116.67 117.82 1tqz s ASP 98 Ca -0.13 0.27 0.00 0.00 1.18 0.00 0.00 52.55 53.87 1tqz s ASP 98 Cb -0.08 0.27 0.00 0.00 -0.34 0.00 0.00 42.92 42.77 1tqz s ASP 98 CO -0.02 -0.34 0.00 0.61 0.68 0.00 0.00 175.17 176.10 1tqz n GLY 99 N 0.48 2.13 1.14 2.12 0.00 -1.26 -2.53 105.19 107.27 1tqz n GLY 99 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.53 0.00 0.00 2.61 -1.04 -1.26 -4.86 114.28 108.20 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 -1.22 0.00 0.00 -1.82 0.00 0.00 70.33 67.29 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 -0.41 0.02 3.33 3.41 0.00 -1.19 -5.11 105.19 105.23 1tqz n GLY 101 Ca 0.00 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.46 3.09 -0.06 1.61 3.00 -1.05 -5.02 118.95 120.06 1tqz s ARG 102 Ca 0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 55.73 54.85 1tqz s ARG 102 Cb 0.00 -3.29 0.03 0.00 0.00 0.00 0.00 34.95 31.69 1tqz s ARG 102 CO 0.00 -0.41 0.15 -1.12 0.00 0.00 0.00 175.30 173.91 1tqz s SER 103 N 1.48 -0.12 -0.07 0.23 0.01 -1.26 -1.56 113.70 112.41 1tqz s SER 103 Ca 0.03 0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.59 1tqz s SER 103 Cb -0.17 0.21 -0.03 0.00 0.21 0.00 0.00 66.02 66.24 1tqz s SER 103 CO 0.01 -0.13 -0.06 0.00 0.41 0.00 0.00 173.24 173.47 1tqz s ALA 104 N 0.97 3.03 -0.02 1.44 0.00 -0.55 -4.92 121.76 121.71 1tqz s ALA 104 Ca -0.07 -0.88 0.07 0.00 0.00 0.00 0.00 51.96 51.08 1tqz s ALA 104 Cb -0.10 -1.27 -0.02 0.00 0.00 0.00 0.00 23.12 21.73 1tqz s ALA 104 CO -0.05 0.57 -0.23 -0.59 0.00 0.00 0.00 175.76 175.46 1tqz s PHE 105 N -0.80 2.43 0.19 0.00 -0.12 -1.26 0.57 117.98 118.98 1tqz s PHE 105 Ca 0.12 -0.37 -0.09 0.00 -0.05 0.00 0.00 56.93 56.54 1tqz s PHE 105 Cb -0.11 -1.52 -0.01 0.00 -0.63 0.00 0.00 43.02 40.75 1tqz s PHE 105 CO 0.02 0.03 0.33 0.42 -0.05 0.00 0.00 175.22 175.97 1tqz s ILE 106 N -0.66 0.04 0.05 -4.49 -1.09 0.80 -4.96 121.20 110.89 1tqz s ILE 106 Ca 0.11 -1.44 0.08 0.00 -2.23 0.00 0.00 60.65 57.16 1tqz s ILE 106 Cb -0.10 -2.02 -0.03 0.00 -1.58 0.00 0.00 42.46 38.73 1tqz s ILE 106 CO -0.00 -0.17 -0.20 -0.83 -1.23 0.00 0.00 174.94 172.51 1tqz s GLY 107 N -3.00 1.56 0.01 6.18 0.00 -0.93 0.15 107.32 111.29 1tqz s GLY 107 Ca 0.21 -1.24 -0.09 0.00 0.00 0.00 0.00 44.72 43.61 1tqz s GLY 107 CO 0.04 -1.14 0.17 -0.42 0.00 0.00 0.00 173.10 171.74 1tqz s ILE 108 N -0.94 0.09 0.00 0.90 1.01 -0.96 0.20 121.20 121.50 1tqz s ILE 108 Ca 0.14 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.04 1tqz s ILE 108 Cb -0.10 -0.60 0.00 0.00 0.01 0.00 0.00 42.46 41.76 1tqz s ILE 108 CO 0.05 -0.41 0.00 0.61 0.00 0.00 0.00 174.94 175.19 1tqz n GLY 109 N 1.19 1.22 3.33 6.18 0.00 -0.72 -2.42 105.19 113.98 1tqz n GLY 109 Ca -0.21 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 1tqz n GLY 109 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tqz s PHE 110 N -2.83 -0.28 -1.59 1.61 0.40 -1.26 -3.45 117.98 110.59 1tqz s PHE 110 Ca 0.00 0.20 0.08 0.00 -0.60 0.00 0.00 56.93 56.62 1tqz s PHE 110 Cb 0.00 0.24 0.44 0.00 0.51 0.00 0.00 43.02 44.21 1tqz s PHE 110 CO 0.00 -0.60 1.08 0.25 0.70 0.00 0.00 175.22 176.65 1tqz n THR 111 N 0.38 0.60 -3.79 0.64 -2.24 -1.26 -4.62 114.28 103.99 1tqz n THR 111 Ca -0.18 0.15 -0.13 0.00 -2.27 0.00 0.00 64.05 61.62 1tqz n THR 111 Cb 0.60 -1.02 -0.11 0.00 -2.10 0.00 0.00 70.33 67.71 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 -2.41 -0.21 0.32 3.42 1.01 -1.26 -5.04 116.67 112.50 1tqz s ASP 112 Ca 0.09 0.33 0.01 0.00 0.71 0.00 0.00 52.55 53.70 1tqz s ASP 112 Cb 0.06 0.44 0.56 0.00 1.01 0.00 0.00 42.92 44.99 1tqz s ASP 112 CO 0.12 -0.19 1.95 0.03 0.21 0.00 0.00 175.17 177.28 1tqz h ARG 113 N 5.20 0.95 -0.59 8.23 2.47 -1.97 -2.85 114.38 125.82 1tqz h ARG 113 Ca -0.27 -0.06 0.10 0.00 -1.26 0.00 0.00 59.98 58.49 1tqz h ARG 113 Cb 1.19 -0.21 -0.11 0.00 -1.65 0.00 0.00 29.97 29.19 1tqz h ARG 113 CO 0.36 0.63 -0.39 0.78 0.56 0.00 0.00 179.97 181.91 1tqz h GLY 114 N 0.98 -0.31 0.92 0.04 0.00 -1.96 0.13 103.07 102.87 1tqz h GLY 114 Ca 0.33 0.51 -0.05 0.00 0.00 0.00 0.00 47.33 48.12 1tqz h GLY 114 CO -0.11 -0.18 0.02 -0.55 0.00 0.00 0.00 176.54 175.72 1tqz h ASP 115 N -0.20 0.62 -0.86 0.19 3.32 -1.92 -2.63 116.42 114.94 1tqz h ASP 115 Ca 0.20 -0.30 0.19 0.00 0.02 0.00 0.00 57.03 57.14 1tqz h ASP 115 Cb 0.56 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.88 1tqz h ASP 115 CO -0.69 0.76 0.57 0.00 -1.72 0.00 0.00 179.24 178.16 1tqz h ALA 116 N 0.88 2.18 0.43 3.45 0.00 -1.00 -1.72 119.26 123.48 1tqz h ALA 116 Ca 0.11 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1tqz h ALA 116 Cb 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1tqz h ALA 116 CO 0.02 -0.44 -0.21 0.35 0.00 0.00 0.00 179.25 178.97 1tqz h PHE 117 N 0.41 -0.53 -0.91 0.00 3.57 -0.51 -3.10 116.94 115.87 1tqz h PHE 117 Ca 0.44 -0.01 0.22 0.00 3.53 0.00 0.00 57.97 62.15 1tqz h PHE 117 Cb 1.07 0.18 -0.17 0.00 2.79 0.00 0.00 35.95 39.82 1tqz h PHE 117 CO -0.00 -0.33 -0.03 -0.44 -2.23 0.00 0.00 178.31 175.28 1tqz h ASP 118 N -1.09 -0.51 0.26 0.41 5.19 -1.09 -0.32 116.42 119.27 1tqz h ASP 118 Ca -0.06 0.25 -0.01 0.00 -0.62 0.00 0.00 57.03 56.60 1tqz h ASP 118 Cb 0.44 0.46 -0.01 0.00 0.18 0.00 0.00 39.33 40.40 1tqz h ASP 118 CO 0.10 -0.29 -0.29 0.15 -3.12 0.00 0.00 179.24 175.79 1tqz h PHE 119 N 0.04 -0.81 -0.56 4.55 3.57 -1.41 -0.24 116.94 122.09 1tqz h PHE 119 Ca 0.51 0.01 0.11 0.00 3.53 0.00 0.00 57.97 62.13 1tqz h PHE 119 Cb 0.97 0.32 -0.11 0.00 2.79 0.00 0.00 35.95 39.92 1tqz h PHE 119 CO -0.52 -0.38 -0.16 -0.97 -2.23 0.00 0.00 178.31 174.05 1tqz h ASN 120 N -0.56 -0.57 -0.66 0.41 -1.24 -1.20 -0.66 115.58 111.11 1tqz h ASN 120 Ca -0.03 0.17 0.09 0.00 0.71 0.00 0.00 56.30 57.24 1tqz h ASN 120 Cb 0.49 0.37 -0.07 0.00 0.73 0.00 0.00 38.32 39.84 1tqz h ASN 120 CO -0.05 -0.20 0.30 0.58 -1.29 0.00 0.00 177.43 176.77 1tqz h VAL 121 N -0.02 0.82 0.45 2.57 2.07 -0.90 -2.67 116.25 118.58 1tqz h VAL 121 Ca 0.27 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 1tqz h VAL 121 Cb 0.43 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1tqz h VAL 121 CO -0.58 0.09 -0.49 0.77 0.02 0.00 0.00 177.57 177.38 1tqz h SER 122 N 0.52 -1.35 -1.24 0.57 4.64 0.52 0.08 113.55 117.28 1tqz h SER 122 Ca 0.32 0.11 0.36 0.00 -0.47 0.00 0.00 61.79 62.11 1tqz h SER 122 Cb 0.36 0.45 -0.07 0.00 -0.31 0.00 0.00 62.40 62.83 1tqz h SER 122 CO -0.28 -0.64 0.87 0.25 -0.87 0.00 0.00 176.83 176.16 1tqz h LEU 123 N -0.95 0.11 -0.01 5.97 5.85 -1.19 0.13 115.31 125.21 1tqz h LEU 123 Ca -0.05 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1tqz h LEU 123 Cb 0.84 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.89 1tqz h LEU 123 CO -0.08 0.00 -0.10 -0.61 -0.34 0.00 0.00 178.44 177.31 1tqz h GLN 124 N 0.09 0.08 -0.48 1.25 5.75 -0.90 -0.84 115.11 120.05 1tqz h GLN 124 Ca 0.63 -0.08 0.10 0.00 -0.15 0.00 0.00 58.65 59.15 1tqz h GLN 124 Cb 2.28 0.02 -0.10 0.00 1.07 0.00 0.00 27.48 30.75 1tqz h GLN 124 CO -0.10 0.79 -0.19 -0.44 -2.65 0.00 0.00 178.83 176.24 1tqz h ASP 125 N -0.60 -0.68 -0.08 -0.69 3.32 0.11 -2.08 116.42 115.73 1tqz h ASP 125 Ca -0.01 0.17 -0.20 0.00 0.02 0.00 0.00 57.03 57.01 1tqz h ASP 125 Cb 0.82 0.38 0.01 0.00 0.22 0.00 0.00 39.33 40.76 1tqz h ASP 125 CO 0.02 -0.23 -0.74 0.45 -1.72 0.00 0.00 179.24 177.03 1tqz h HIS 126 N -0.09 0.91 0.00 4.55 3.86 -1.55 -3.38 115.15 119.45 1tqz h HIS 126 Ca 0.23 -0.43 0.00 0.00 -1.16 0.00 0.00 60.37 59.01 1tqz h HIS 126 Cb 0.44 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1tqz h HIS 126 CO -0.47 1.25 0.00 0.34 0.86 0.00 0.00 177.93 179.91 1tqz n PHE 127 N -4.04 0.00 -2.10 2.45 7.35 -0.32 -4.70 117.46 116.09 1tqz n PHE 127 Ca -0.09 0.00 -0.27 0.00 -0.76 0.00 0.00 57.45 56.33 1tqz n PHE 127 Cb 0.73 -0.18 0.11 0.00 0.35 0.00 0.00 39.48 40.49 1tqz n PHE 127 CO 0.00 0.00 0.00 -1.59 -0.76 0.00 0.00 176.76 174.41 1tqz s LYS 128 N -1.73 1.64 -0.18 -4.13 0.00 -0.90 -5.01 119.74 109.42 1tqz s LYS 128 Ca 0.00 -0.32 -0.19 0.00 0.00 0.00 0.00 55.97 55.46 1tqz s LYS 128 Cb 0.00 -2.05 -0.03 0.00 0.00 0.00 0.00 37.83 35.75 1tqz s LYS 128 CO 0.00 -1.68 0.54 -1.58 0.00 0.00 0.00 175.35 172.63 1tqz s TRP 129 N -3.49 3.41 0.00 1.78 0.51 -1.26 -4.80 118.94 115.08 1tqz s TRP 129 Ca 0.65 0.84 0.00 0.00 -2.12 0.00 0.00 56.10 55.47 1tqz s TRP 129 Cb -0.08 -2.67 0.00 0.00 -0.81 0.00 0.00 33.47 29.90 1tqz s TRP 129 CO 0.48 -0.05 0.00 0.28 -0.51 0.00 0.00 176.95 177.15 1tqz n VAL 130 N 4.37 0.00 -1.90 4.03 0.31 -1.26 -4.96 118.33 118.93 1tqz n VAL 130 Ca -0.04 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.88 1tqz n VAL 130 Cb 0.51 -0.16 -0.01 0.00 -0.91 0.00 0.00 33.84 33.27 1tqz n VAL 130 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1tqz n LYS 131 N -2.11 4.28 -2.63 5.55 2.85 -1.26 -4.89 118.16 119.95 1tqz n LYS 131 Ca 0.00 -3.22 -0.42 0.00 -1.05 0.00 0.00 58.31 53.62 1tqz n LYS 131 Cb 0.00 -2.71 -0.02 0.00 -0.65 0.00 0.00 35.03 31.65 1tqz n LYS 131 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 1tqz s GLN 132 N -0.25 3.78 0.00 -1.58 2.00 -1.26 -5.20 119.66 117.15 1tqz s GLN 132 Ca 0.55 -1.62 0.00 0.00 -2.00 0.00 0.00 55.36 52.29 1tqz s GLN 132 Cb 0.17 -5.37 0.00 0.00 0.80 0.00 0.00 33.01 28.61 1tqz s GLN 132 CO -0.08 -2.16 0.00 -1.91 -0.50 0.00 0.00 175.29 170.64