#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gxi n LEU 2 N 0.00 0.00 -4.16 0.00 -0.00 -1.26 -5.05 117.00 106.53 1gxi n LEU 2 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.86 1gxi n LEU 2 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.35 1gxi n LEU 2 CO 0.00 0.00 -0.01 0.20 -0.00 0.00 0.00 177.39 177.58 1gxi s ASN 3 N -0.81 0.89 -0.53 1.45 0.02 -1.26 -5.13 114.94 109.56 1gxi s ASN 3 Ca 0.00 -1.49 -0.18 0.00 -1.02 0.00 0.00 52.86 50.17 1gxi s ASN 3 Cb 0.00 0.57 0.09 0.00 0.02 0.00 0.00 41.25 41.92 1gxi s ASN 3 CO 0.00 -1.12 0.58 -0.60 0.02 0.00 0.00 177.10 175.98 1gxi s ARG 4 N -3.50 3.04 0.00 -0.60 3.00 -1.26 -4.34 118.95 115.29 1gxi s ARG 4 Ca 0.35 -1.27 0.00 0.00 -1.00 0.00 0.00 55.73 53.81 1gxi s ARG 4 Cb 0.02 -4.20 0.00 0.00 0.00 0.00 0.00 34.95 30.77 1gxi s ARG 4 CO 0.20 -1.31 0.00 0.41 0.00 0.00 0.00 175.30 174.60 1gxi n GLY 5 N 5.23 1.22 3.74 8.12 0.00 -1.21 -4.80 105.19 117.48 1gxi n GLY 5 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1gxi n GLY 5 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1gxi s ASP 6 N -0.96 7.25 -1.20 1.61 -1.08 -1.26 -4.76 116.67 116.27 1gxi s ASP 6 Ca 0.00 2.15 -0.12 0.00 -0.52 0.00 0.00 52.55 54.06 1gxi s ASP 6 Cb 0.00 -2.61 0.19 0.00 -1.46 0.00 0.00 42.92 39.04 1gxi s ASP 6 CO 0.00 -0.22 1.41 0.29 0.52 0.00 0.00 175.17 177.18 1gxi n LYS 7 N 2.08 3.44 -3.13 4.34 4.76 -1.26 -2.29 118.16 126.11 1gxi n LYS 7 Ca 0.02 -3.95 -0.37 0.00 -2.87 0.00 0.00 58.31 51.14 1gxi n LYS 7 Cb 0.46 -2.93 -0.06 0.00 -1.84 0.00 0.00 35.03 30.65 1gxi n LYS 7 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1gxi s VAL 8 N 0.86 4.58 -0.29 -0.18 -7.23 -0.77 -2.44 120.40 114.94 1gxi s VAL 8 Ca 0.40 1.31 -0.09 0.00 -1.81 0.00 0.00 61.98 61.79 1gxi s VAL 8 Cb -0.03 -3.90 -0.02 0.00 0.56 0.00 0.00 36.38 32.99 1gxi s VAL 8 CO -0.01 0.31 0.13 -0.60 -0.31 0.00 0.00 175.10 174.62 1gxi s ARG 9 N -1.72 3.54 -0.23 4.82 3.52 0.20 -1.71 118.95 127.38 1gxi s ARG 9 Ca 0.39 -0.58 -0.31 0.00 -0.13 0.00 0.00 55.73 55.11 1gxi s ARG 9 Cb -0.18 -3.51 -0.08 0.00 -1.56 0.00 0.00 34.95 29.63 1gxi s ARG 9 CO 0.21 -0.31 2.17 -0.89 -0.81 0.00 0.00 175.30 175.67 1gxi n ILE 10 N 4.98 0.34 -2.23 4.11 2.08 0.20 -3.04 119.36 125.80 1gxi n ILE 10 Ca -0.15 -0.35 -0.29 0.00 0.56 0.00 0.00 62.75 62.53 1gxi n ILE 10 Cb 0.50 -2.20 0.02 0.00 -0.75 0.00 0.00 39.64 37.21 1gxi n ILE 10 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1gxi n LYS 11 N 8.30 3.30 -4.09 0.38 5.02 0.16 -1.52 118.16 129.71 1gxi n LYS 11 Ca 0.32 -4.21 -0.35 0.00 -2.02 0.00 0.00 58.31 52.06 1gxi n LYS 11 Cb 0.36 -2.26 -0.11 0.00 -0.02 0.00 0.00 35.03 33.00 1gxi n LYS 11 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1gxi s ARG 12 N -3.66 3.76 -0.03 1.97 3.52 -1.26 -4.75 118.95 118.50 1gxi s ARG 12 Ca 0.50 -0.45 -0.18 0.00 -0.13 0.00 0.00 55.73 55.47 1gxi s ARG 12 Cb 0.41 -3.12 -0.11 0.00 -1.56 0.00 0.00 34.95 30.58 1gxi s ARG 12 CO -0.18 0.13 0.75 1.79 -0.81 0.00 0.00 175.30 176.98 1gxi h THR 13 N 5.17 0.19 0.00 4.11 1.35 -1.97 -3.35 112.91 118.42 1gxi h THR 13 Ca -0.35 -0.67 -0.65 0.00 -0.55 0.00 0.00 66.41 64.19 1gxi h THR 13 Cb 1.18 0.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1gxi h THR 13 CO 0.64 0.05 2.93 -0.62 -0.25 0.00 0.00 175.52 178.26 1gxi n GLU 14 N -5.12 2.47 -3.46 4.72 1.02 -1.26 -4.77 120.64 114.24 1gxi n GLU 14 Ca -0.08 -2.18 -0.10 0.00 -0.02 0.00 0.00 57.16 54.78 1gxi n GLU 14 Cb 0.24 -3.01 -0.02 0.00 -0.02 0.00 0.00 31.44 28.63 1gxi n GLU 14 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1gxi s SER 15 N 3.63 -0.47 0.00 1.62 0.15 -1.26 -5.04 113.70 112.32 1gxi s SER 15 Ca 0.53 0.01 0.26 0.00 0.70 0.00 0.00 55.95 57.45 1gxi s SER 15 Cb 0.14 0.50 0.74 0.00 -1.71 0.00 0.00 66.02 65.69 1gxi s SER 15 CO -0.02 -0.80 1.56 0.00 1.20 0.00 0.00 173.24 175.19 1gxi n TYR 16 N -0.30 0.00 -1.30 3.44 9.36 -1.26 -4.19 117.16 122.90 1gxi n TYR 16 Ca -0.13 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.17 1gxi n TYR 16 Cb 0.63 -0.03 0.17 0.00 -0.63 0.00 0.00 39.34 39.48 1gxi n TYR 16 CO 0.00 0.00 0.00 0.91 0.22 0.00 0.00 176.86 177.99 1gxi n TRP 17 N 0.11 0.02 -2.00 2.98 8.01 -1.26 -5.01 117.44 120.29 1gxi n TRP 17 Ca 0.15 -1.22 -0.39 0.00 -1.31 0.00 0.00 57.50 54.74 1gxi n TRP 17 Cb 0.40 -0.20 -0.03 0.00 -2.01 0.00 0.00 31.31 29.47 1gxi n TRP 17 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.69 176.21 1gxi s TYR 18 N -3.04 1.64 0.00 -5.99 5.04 -1.25 -1.83 117.35 111.92 1gxi s TYR 18 Ca 0.35 0.83 0.00 0.00 -2.44 0.00 0.00 57.07 55.80 1gxi s TYR 18 Cb 0.32 -4.06 0.00 0.00 0.35 0.00 0.00 41.96 38.57 1gxi s TYR 18 CO -0.01 -2.39 0.00 0.41 -1.34 0.00 0.00 175.55 172.22 1gxi n GLY 19 N 5.69 0.97 3.60 8.97 0.00 -0.58 -5.05 105.19 118.80 1gxi n GLY 19 Ca 0.22 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 1gxi n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1gxi s ASP 20 N -2.02 4.44 0.64 1.61 2.15 -0.76 -4.96 116.67 117.77 1gxi s ASP 20 Ca 0.00 -0.50 -0.01 0.00 0.43 0.00 0.00 52.55 52.48 1gxi s ASP 20 Cb 0.00 -0.83 0.10 0.00 -0.30 0.00 0.00 42.92 41.89 1gxi s ASP 20 CO 0.00 0.11 0.71 0.55 -0.17 0.00 0.00 175.17 176.36 1gxi n VAL 21 N 0.05 0.00 0.00 1.11 3.14 -1.26 -0.63 118.33 120.75 1gxi n VAL 21 Ca -0.11 -1.09 0.00 0.00 -2.96 0.00 0.00 64.34 60.18 1gxi n VAL 21 Cb 0.55 -1.06 0.00 0.00 -1.06 0.00 0.00 33.84 32.27 1gxi n VAL 21 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1gxi n GLY 22 N -0.40 -0.58 3.56 7.55 0.00 -0.69 -4.77 105.19 109.86 1gxi n GLY 22 Ca 0.12 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 44.78 1gxi n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gxi s THR 23 N -2.00 5.01 -1.02 2.61 2.01 -1.26 -1.84 115.64 119.14 1gxi s THR 23 Ca 0.00 0.07 -0.23 0.00 0.31 0.00 0.00 61.69 61.84 1gxi s THR 23 Cb 0.00 -3.37 0.00 0.00 0.01 0.00 0.00 72.50 69.15 1gxi s THR 23 CO 0.00 0.29 1.71 0.54 -0.69 0.00 0.00 174.62 176.47 1gxi s VAL 24 N 1.62 3.73 -0.28 3.82 0.11 -0.97 -0.90 120.40 127.53 1gxi s VAL 24 Ca 0.07 -0.76 -0.02 0.00 -2.93 0.00 0.00 61.98 58.34 1gxi s VAL 24 Cb -0.15 -4.64 0.09 0.00 -1.53 0.00 0.00 36.38 30.14 1gxi s VAL 24 CO 0.08 -1.50 2.41 0.00 -3.33 0.00 0.00 175.10 172.77 1gxi n ALA 25 N 11.22 5.50 -0.33 1.54 0.00 0.55 -3.33 120.51 135.67 1gxi n ALA 25 Ca 0.38 -1.87 0.00 0.00 0.00 0.00 0.00 53.44 51.96 1gxi n ALA 25 Cb 0.49 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1gxi n ALA 25 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1gxi n SER 26 N 0.88 0.00 -2.61 0.00 2.88 -1.13 -4.61 113.62 109.03 1gxi n SER 26 Ca 0.33 0.31 -0.25 0.00 -1.33 0.00 0.00 58.87 57.93 1gxi n SER 26 Cb 0.60 -0.34 -0.10 0.00 -0.75 0.00 0.00 64.21 63.63 1gxi n SER 26 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1gxi n VAL 27 N -1.56 3.66 0.00 2.46 3.14 -1.26 -0.29 118.33 124.48 1gxi n VAL 27 Ca 0.00 -2.26 0.00 0.00 -2.96 0.00 0.00 64.34 59.12 1gxi n VAL 27 Cb 0.00 -2.16 0.00 0.00 -1.06 0.00 0.00 33.84 30.62 1gxi n VAL 27 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 1gxi n GLU 28 N 2.60 0.00 -0.00 1.45 0.28 -1.26 -4.88 120.64 118.82 1gxi n GLU 28 Ca 0.57 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.62 1gxi n GLU 28 Cb 0.59 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.40 1gxi n GLU 28 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1gxi n LYS 29 N -2.19 1.17 -1.40 3.44 4.01 -1.11 -4.74 118.16 117.34 1gxi n LYS 29 Ca 0.00 -0.07 -0.27 0.00 -0.51 0.00 0.00 58.31 57.46 1gxi n LYS 29 Cb 0.00 -1.15 -0.01 0.00 -0.51 0.00 0.00 35.03 33.35 1gxi n LYS 29 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1gxi n SER 30 N -1.68 6.71 -2.32 4.39 2.88 0.60 -4.54 113.62 119.66 1gxi n SER 30 Ca -0.01 -3.31 -0.20 0.00 -1.33 0.00 0.00 58.87 54.02 1gxi n SER 30 Cb 0.22 -1.15 -0.11 0.00 -0.75 0.00 0.00 64.21 62.42 1gxi n SER 30 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1gxi n GLY 31 N 0.42 3.64 0.00 0.46 0.00 -1.26 -4.36 105.19 104.10 1gxi n GLY 31 Ca 0.47 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1gxi n GLY 31 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1gxi n ILE 32 N 1.98 0.00 -0.24 -0.61 5.41 -1.26 -5.09 119.36 119.54 1gxi n ILE 32 Ca 0.48 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 64.21 1gxi n ILE 32 Cb 0.72 0.00 0.18 0.00 -0.71 0.00 0.00 39.64 39.83 1gxi n ILE 32 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1gxi h LEU 33 N 0.00 0.94 -8.21 1.39 5.85 -2.00 -3.37 115.31 109.91 1gxi h LEU 33 Ca 0.00 -0.08 -0.67 0.00 0.84 0.00 0.00 57.88 57.97 1gxi h LEU 33 Cb 0.00 -0.24 -0.31 0.00 0.37 0.00 0.00 40.66 40.48 1gxi h LEU 33 CO 0.00 0.76 -0.72 -0.31 -0.34 0.00 0.00 178.44 177.82 1gxi s TYR 34 N -5.71 3.07 -0.13 1.25 1.51 -1.26 -5.05 117.35 111.02 1gxi s TYR 34 Ca -0.11 -1.41 -0.14 0.00 -1.01 0.00 0.00 57.07 54.40 1gxi s TYR 34 Cb 0.17 -2.09 -0.12 0.00 -0.11 0.00 0.00 41.96 39.81 1gxi s TYR 34 CO 0.80 -0.69 0.29 -1.00 -1.11 0.00 0.00 175.55 173.84 1gxi h PRO 35 N 8.06 0.00 -6.07 -1.71 0.13 -1.74 -3.47 132.00 127.20 1gxi h PRO 35 Ca -0.33 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.31 1gxi h PRO 35 Cb 1.12 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.18 1gxi h PRO 35 CO 0.58 0.47 1.17 0.08 -0.23 0.00 0.00 178.00 180.08 1gxi s VAL 36 N -1.96 3.61 -0.26 1.56 1.01 -1.14 -4.66 120.40 118.56 1gxi s VAL 36 Ca -0.12 -0.07 -0.22 0.00 0.00 0.00 0.00 61.98 61.57 1gxi s VAL 36 Cb -0.00 -4.51 -0.01 0.00 0.00 0.00 0.00 36.38 31.86 1gxi s VAL 36 CO 0.34 -1.44 0.73 -0.63 0.00 0.00 0.00 175.10 174.10 1gxi s ILE 37 N 7.34 4.89 0.29 2.22 1.01 -1.26 0.41 121.20 136.11 1gxi s ILE 37 Ca 0.53 1.30 0.08 0.00 0.00 0.00 0.00 60.65 62.57 1gxi s ILE 37 Cb -0.07 -4.04 -0.06 0.00 0.01 0.00 0.00 42.46 38.30 1gxi s ILE 37 CO 0.08 -0.06 -0.10 -0.69 0.00 0.00 0.00 174.94 174.16 1gxi s VAL 38 N 2.71 1.96 0.20 2.92 1.01 0.03 -0.33 120.40 128.90 1gxi s VAL 38 Ca 0.31 -2.20 -0.23 0.00 0.00 0.00 0.00 61.98 59.85 1gxi s VAL 38 Cb -0.15 -2.44 -0.08 0.00 0.00 0.00 0.00 36.38 33.70 1gxi s VAL 38 CO 0.09 -0.32 0.77 -0.60 0.00 0.00 0.00 175.10 175.04 1gxi s ARG 39 N -3.65 4.44 -0.03 2.72 3.52 -0.08 -2.71 118.95 123.16 1gxi s ARG 39 Ca 0.30 1.06 0.00 0.00 -0.13 0.00 0.00 55.73 56.96 1gxi s ARG 39 Cb 0.02 -3.07 0.03 0.00 -1.56 0.00 0.00 34.95 30.36 1gxi s ARG 39 CO 0.13 0.48 -0.00 -0.06 -0.81 0.00 0.00 175.30 175.04 1gxi s PHE 40 N -1.33 0.38 -0.11 5.12 0.08 -0.80 -4.08 117.98 117.23 1gxi s PHE 40 Ca 0.40 -0.02 -0.04 0.00 0.12 0.00 0.00 56.93 57.39 1gxi s PHE 40 Cb -0.20 -0.47 -0.26 0.00 -0.57 0.00 0.00 43.02 41.52 1gxi s PHE 40 CO 0.24 -0.15 0.41 -0.40 -0.10 0.00 0.00 175.22 175.22 1gxi n ASP 41 N 4.26 1.93 -3.23 1.36 5.75 -1.26 -4.61 116.55 120.75 1gxi n ASP 41 Ca -0.24 0.24 -0.34 0.00 -0.01 0.00 0.00 54.79 54.44 1gxi n ASP 41 Cb 0.50 -0.74 -0.03 0.00 -1.03 0.00 0.00 41.12 39.82 1gxi n ASP 41 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1gxi n ARG 42 N -3.41 3.27 -3.55 0.11 1.74 -1.26 -4.91 116.66 108.64 1gxi n ARG 42 Ca -0.30 -1.98 -0.24 0.00 -0.77 0.00 0.00 57.85 54.56 1gxi n ARG 42 Cb 1.05 -2.69 -0.02 0.00 -1.02 0.00 0.00 32.46 29.78 1gxi n ARG 42 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1gxi s VAL 43 N 2.41 5.15 0.11 1.55 1.01 -1.26 -4.94 120.40 124.43 1gxi s VAL 43 Ca 0.63 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 62.13 1gxi s VAL 43 Cb 0.17 -3.83 -0.23 0.00 0.00 0.00 0.00 36.38 32.49 1gxi s VAL 43 CO -0.05 -0.43 1.25 -0.55 0.00 0.00 0.00 175.10 175.31 1gxi h ASN 44 N 1.10 0.09 -4.74 3.32 -1.07 -1.91 -3.49 115.58 108.88 1gxi h ASN 44 Ca -0.50 -0.09 -0.28 0.00 0.07 0.00 0.00 56.30 55.50 1gxi h ASN 44 Cb 1.21 -0.03 0.12 0.00 -2.07 0.00 0.00 38.32 37.55 1gxi h ASN 44 CO 0.63 1.07 -0.55 -1.22 0.07 0.00 0.00 177.43 177.43 1gxi n TYR 45 N -3.38 -1.96 -2.01 4.14 4.01 -1.26 -4.98 117.16 111.71 1gxi n TYR 45 Ca -0.02 0.75 -0.38 0.00 -0.16 0.00 0.00 57.90 58.09 1gxi n TYR 45 Cb 0.96 -4.21 0.02 0.00 -0.31 0.00 0.00 39.34 35.79 1gxi n TYR 45 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1gxi n ASN 46 N -2.26 7.37 -3.82 7.72 4.13 -1.10 -4.95 115.26 122.35 1gxi n ASN 46 Ca -0.10 -3.67 -0.42 0.00 1.68 0.00 0.00 54.58 52.07 1gxi n ASN 46 Cb 0.58 -1.13 0.00 0.00 -1.54 0.00 0.00 39.78 37.69 1gxi n ASN 46 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1gxi n GLY 47 N -0.09 4.46 0.85 7.41 0.00 -1.26 -4.19 105.19 112.37 1gxi n GLY 47 Ca 0.52 -1.78 -0.05 0.00 0.00 0.00 0.00 46.02 44.71 1gxi n GLY 47 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1gxi n PHE 48 N 5.34 -3.27 0.00 1.61 7.35 -1.20 -4.86 117.46 122.44 1gxi n PHE 48 Ca 0.47 -0.39 0.00 0.00 -0.76 0.00 0.00 57.45 56.77 1gxi n PHE 48 Cb 0.38 -0.16 0.00 0.00 0.35 0.00 0.00 39.48 40.06 1gxi n PHE 48 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1gxi n SER 49 N -2.97 0.00 0.00 -2.13 2.88 -1.26 -2.76 113.62 107.37 1gxi n SER 49 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1gxi n SER 49 Cb 0.13 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 1gxi n SER 49 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1gxi n GLY 50 N 0.00 -0.71 1.72 0.46 0.00 -1.26 -5.19 105.19 100.22 1gxi n GLY 50 Ca 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 1gxi n GLY 50 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1gxi n SER 51 N -1.80 -0.98 0.05 1.61 2.88 -1.11 -5.07 113.62 109.19 1gxi n SER 51 Ca 0.00 -1.64 0.13 0.00 -1.33 0.00 0.00 58.87 56.02 1gxi n SER 51 Cb 0.00 1.62 0.50 0.00 -0.75 0.00 0.00 64.21 65.58 1gxi n SER 51 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1gxi n ALA 52 N -1.92 2.17 0.00 -1.46 0.00 -1.26 -3.24 120.51 114.80 1gxi n ALA 52 Ca -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1gxi n ALA 52 Cb 0.27 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1gxi n ALA 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1gxi n SER 53 N -1.82 0.00 -3.36 0.00 2.88 -1.26 -2.70 113.62 107.36 1gxi n SER 53 Ca 0.06 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.47 1gxi n SER 53 Cb 0.34 -0.07 -0.00 0.00 -0.75 0.00 0.00 64.21 63.73 1gxi n SER 53 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1gxi n GLY 54 N -1.01 3.01 3.44 0.46 0.00 -1.26 -5.08 105.19 104.74 1gxi n GLY 54 Ca 0.00 -2.24 -0.29 0.00 0.00 0.00 0.00 46.02 43.49 1gxi n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gxi s VAL 55 N -1.37 2.55 -0.24 1.61 1.01 -1.26 -5.04 120.40 117.65 1gxi s VAL 55 Ca 0.13 -1.59 -0.05 0.00 0.00 0.00 0.00 61.98 60.48 1gxi s VAL 55 Cb -0.01 -2.14 -0.13 0.00 0.00 0.00 0.00 36.38 34.10 1gxi s VAL 55 CO 0.09 0.13 -0.26 0.59 0.00 0.00 0.00 175.10 175.64 1gxi n ASN 56 N 0.95 1.99 -4.11 3.32 4.13 -1.26 -4.84 115.26 115.43 1gxi n ASN 56 Ca -0.17 0.08 -0.34 0.00 1.68 0.00 0.00 54.58 55.83 1gxi n ASN 56 Cb 0.53 -0.54 -0.13 0.00 -1.54 0.00 0.00 39.78 38.09 1gxi n ASN 56 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1gxi s THR 57 N -2.46 2.84 -0.08 3.41 -4.23 -1.26 -1.91 115.64 111.94 1gxi s THR 57 Ca -0.33 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 58.33 1gxi s THR 57 Cb 0.11 -2.84 -0.03 0.00 1.34 0.00 0.00 72.50 71.08 1gxi s THR 57 CO 0.49 -0.40 -0.07 0.21 -0.54 0.00 0.00 174.62 174.32 1gxi s ASN 58 N 1.34 4.66 -0.38 3.99 2.47 -1.10 -4.86 114.94 121.06 1gxi s ASN 58 Ca 0.02 -0.03 -0.14 0.00 0.42 0.00 0.00 52.86 53.13 1gxi s ASN 58 Cb -0.21 -1.24 0.01 0.00 -1.45 0.00 0.00 41.25 38.36 1gxi s ASN 58 CO -0.04 0.34 0.28 0.21 -3.72 0.00 0.00 177.10 174.17 1gxi s ASN 59 N -0.68 6.09 0.46 -4.21 3.84 -1.26 -0.79 114.94 118.39 1gxi s ASN 59 Ca 0.10 -0.72 0.08 0.00 0.21 0.00 0.00 52.86 52.53 1gxi s ASN 59 Cb -0.11 -2.15 0.02 0.00 -0.55 0.00 0.00 41.25 38.45 1gxi s ASN 59 CO 0.02 -0.37 0.51 -0.36 -2.79 0.00 0.00 177.10 174.11 1gxi s PHE 60 N 1.70 2.35 -0.68 0.43 0.40 0.17 -4.94 117.98 117.40 1gxi s PHE 60 Ca 0.05 -0.56 -0.13 0.00 -0.60 0.00 0.00 56.93 55.70 1gxi s PHE 60 Cb -0.18 -2.20 0.17 0.00 0.51 0.00 0.00 43.02 41.32 1gxi s PHE 60 CO 0.10 -0.44 0.60 0.00 0.70 0.00 0.00 175.22 176.18 1gxi s ALA 61 N -2.52 3.82 0.00 5.36 0.00 -1.26 -2.89 121.76 124.27 1gxi s ALA 61 Ca 0.51 -3.00 0.00 0.00 0.00 0.00 0.00 51.96 49.47 1gxi s ALA 61 Cb -0.05 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1gxi s ALA 61 CO 0.30 -2.14 0.00 -1.91 0.00 0.00 0.00 175.76 172.02 1gxi n GLU 62 N 4.38 0.00 -0.28 0.00 2.13 -1.26 -1.35 120.64 124.26 1gxi n GLU 62 Ca 0.03 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.93 1gxi n GLU 62 Cb 0.43 0.00 0.21 0.00 0.27 0.00 0.00 31.44 32.35 1gxi n GLU 62 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 1gxi h ASN 63 N 0.00 -0.24 -0.07 4.31 -1.24 -2.01 -1.76 115.58 114.56 1gxi h ASN 63 Ca 0.00 0.20 0.00 0.00 0.71 0.00 0.00 56.30 57.21 1gxi h ASN 63 Cb 0.00 0.33 0.00 0.00 0.73 0.00 0.00 38.32 39.38 1gxi h ASN 63 CO 0.00 -0.18 0.00 -1.84 -1.29 0.00 0.00 177.43 174.12 1gxi n GLU 64 N -5.32 1.69 -3.94 6.67 0.28 -0.46 -4.80 120.64 114.76 1gxi n GLU 64 Ca 0.17 -1.01 -0.34 0.00 -0.16 0.00 0.00 57.16 55.82 1gxi n GLU 64 Cb 0.56 -1.45 -0.14 0.00 1.43 0.00 0.00 31.44 31.85 1gxi n GLU 64 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1gxi s LEU 65 N -1.84 3.97 -0.04 -1.84 2.01 -0.66 0.37 118.68 120.65 1gxi s LEU 65 Ca 0.36 -1.41 -0.00 0.00 0.01 0.00 0.00 54.13 53.08 1gxi s LEU 65 Cb 0.20 -1.68 -0.04 0.00 0.01 0.00 0.00 46.19 44.68 1gxi s LEU 65 CO 0.31 -0.28 0.02 -0.70 1.01 0.00 0.00 176.35 176.72 1gxi s GLU 66 N 1.19 2.94 0.51 1.70 2.56 -1.17 -4.86 118.70 121.57 1gxi s GLU 66 Ca -0.04 -0.49 -0.22 0.00 0.00 0.00 0.00 54.97 54.22 1gxi s GLU 66 Cb -0.20 -2.78 -0.06 0.00 2.00 0.00 0.00 34.13 33.09 1gxi s GLU 66 CO -0.03 0.66 1.27 -0.51 -0.56 0.00 0.00 175.26 176.10 1gxi s LEU 67 N -1.34 3.92 0.00 2.70 1.02 -1.26 0.61 118.68 124.33 1gxi s LEU 67 Ca 0.18 2.57 0.00 0.00 0.02 0.00 0.00 54.13 56.89 1gxi s LEU 67 Cb -0.12 -4.26 0.00 0.00 0.02 0.00 0.00 46.19 41.84 1gxi s LEU 67 CO 0.08 -1.28 0.00 0.52 0.02 0.00 0.00 176.35 175.69 1gxi n VAL 68 N -0.78 0.00 -3.95 -1.59 0.31 -1.02 -4.84 118.33 106.46 1gxi n VAL 68 Ca 0.09 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 64.07 1gxi n VAL 68 Cb 0.46 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.25 1gxi n VAL 68 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1gxi s GLN 69 N -0.96 2.97 -1.20 5.55 -0.44 -1.23 -4.84 119.66 119.51 1gxi s GLN 69 Ca 0.00 -0.89 -0.08 0.00 -2.50 0.00 0.00 55.36 51.89 1gxi s GLN 69 Cb 0.00 -2.98 -0.07 0.00 -1.64 0.00 0.00 33.01 28.31 1gxi s GLN 69 CO 0.00 -0.35 2.53 0.00 0.50 0.00 0.00 175.29 177.97 1gxi n ALA 70 N 4.70 6.01 -1.23 1.58 0.00 -1.26 -4.25 120.51 126.07 1gxi n ALA 70 Ca -0.17 -2.65 -0.34 0.00 0.00 0.00 0.00 53.44 50.28 1gxi n ALA 70 Cb 0.48 -3.14 -0.05 0.00 0.00 0.00 0.00 19.45 16.74 1gxi n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gxi n ALA 71 N 3.86 7.23 -2.11 0.00 0.00 -1.26 -4.91 120.51 123.32 1gxi n ALA 71 Ca 0.59 -3.18 -0.34 0.00 0.00 0.00 0.00 53.44 50.51 1gxi n ALA 71 Cb 0.20 -3.20 -0.04 0.00 0.00 0.00 0.00 19.45 16.41 1gxi n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gxi n ALA 72 N 3.45 2.57 0.38 0.00 0.00 -1.26 -4.09 120.51 121.57 1gxi n ALA 72 Ca 0.71 -3.31 0.05 0.00 0.00 0.00 0.00 53.44 50.89 1gxi n ALA 72 Cb 0.33 -3.53 0.04 0.00 0.00 0.00 0.00 19.45 16.28 1gxi n ALA 72 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13