#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gtz n LEU 1 N 0.00 0.20 -4.86 2.46 4.32 -1.26 -0.62 117.00 117.25 3gtz n LEU 1 Ca 0.00 -0.10 -0.36 0.00 -0.02 0.00 0.00 56.01 55.52 3gtz n LEU 1 Cb 0.00 -0.10 -0.06 0.00 -1.62 0.00 0.00 43.42 41.64 3gtz n LEU 1 CO 0.00 0.05 0.06 -0.44 -1.22 0.00 0.00 177.39 175.84 3gtz s SER 2 N -0.91 6.68 -0.17 -1.43 0.01 -1.26 -4.95 113.70 111.67 3gtz s SER 2 Ca 0.00 0.82 -0.18 0.00 1.31 0.00 0.00 55.95 57.90 3gtz s SER 2 Cb 0.00 -2.19 -0.04 0.00 0.21 0.00 0.00 66.02 64.00 3gtz s SER 2 CO 0.00 0.27 0.50 -0.63 0.41 0.00 0.00 173.24 173.79 3gtz s ILE 3 N -1.22 5.14 -0.16 1.44 1.01 -1.26 -4.59 121.20 121.56 3gtz s ILE 3 Ca 0.27 0.96 -0.03 0.00 0.00 0.00 0.00 60.65 61.85 3gtz s ILE 3 Cb -0.15 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 3gtz s ILE 3 CO 0.15 0.23 -0.06 -0.69 0.00 0.00 0.00 174.94 174.57 3gtz s VAL 4 N 1.25 3.62 -0.12 2.92 1.01 -0.12 -4.99 120.40 123.98 3gtz s VAL 4 Ca 0.25 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.79 3gtz s VAL 4 Cb -0.15 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 3gtz s VAL 4 CO 0.10 0.49 -0.14 -0.13 0.00 0.00 0.00 175.10 175.42 3gtz s ARG 5 N 0.48 3.24 -0.14 2.72 0.52 -1.26 -0.44 118.95 124.07 3gtz s ARG 5 Ca -0.05 -0.70 -0.06 0.00 -0.52 0.00 0.00 55.73 54.40 3gtz s ARG 5 Cb -0.15 -2.57 -0.04 0.00 0.52 0.00 0.00 34.95 32.72 3gtz s ARG 5 CO 0.03 0.27 0.06 0.42 0.02 0.00 0.00 175.30 176.10 3gtz s ILE 6 N 0.20 4.81 -0.98 1.52 -1.09 0.48 -4.55 121.20 121.60 3gtz s ILE 6 Ca -0.09 -0.04 -0.12 0.00 -2.23 0.00 0.00 60.65 58.17 3gtz s ILE 6 Cb -0.15 -3.11 -0.00 0.00 -1.58 0.00 0.00 42.46 37.62 3gtz s ILE 6 CO 0.05 0.54 0.72 -0.90 -1.23 0.00 0.00 174.94 174.13 3gtz n ASP 7 N 2.73 -5.66 -4.49 3.58 5.68 -1.26 -2.03 116.55 115.09 3gtz n ASP 7 Ca -0.18 -0.83 -0.42 0.00 -0.50 0.00 0.00 54.79 52.86 3gtz n ASP 7 Cb 0.53 -3.23 -0.04 0.00 -1.14 0.00 0.00 41.12 37.25 3gtz n ASP 7 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gtz s ALA 8 N -3.24 3.01 0.07 2.12 0.00 -1.26 -2.82 121.76 119.64 3gtz s ALA 8 Ca 0.25 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.62 3gtz s ALA 8 Cb -0.10 -3.96 0.00 0.00 0.00 0.00 0.00 23.12 19.06 3gtz s ALA 8 CO 0.85 -2.86 0.00 0.39 0.00 0.00 0.00 175.76 174.14 3gtz n GLU 9 N 8.17 1.81 0.07 0.00 -0.58 0.01 -5.00 120.64 125.13 3gtz n GLU 9 Ca -0.01 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.62 3gtz n GLU 9 Cb 0.47 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.33 3gtz n GLU 9 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 3gtz h ASP 10 N 0.00 0.44 0.00 1.62 3.32 -2.05 -3.38 116.42 116.38 3gtz h ASP 10 Ca 0.00 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.72 3gtz h ASP 10 Cb 0.00 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.42 3gtz h ASP 10 CO 0.00 1.11 -0.27 0.54 -1.72 0.00 0.00 179.24 178.90 3gtz n ARG 11 N -3.75 5.24 -3.66 3.56 1.74 -1.26 -5.07 116.66 113.45 3gtz n ARG 11 Ca -0.05 -0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.93 3gtz n ARG 11 Cb 0.79 -0.68 -0.03 0.00 -1.02 0.00 0.00 32.46 31.52 3gtz n ARG 11 CO 0.00 0.00 0.00 1.67 -1.52 0.00 0.00 177.63 177.78 3gtz s TRP 12 N -1.37 -0.26 0.10 -1.55 1.48 -1.26 -5.16 118.94 110.91 3gtz s TRP 12 Ca 0.01 -0.06 0.09 0.00 -1.06 0.00 0.00 56.10 55.07 3gtz s TRP 12 Cb 0.02 0.50 -0.04 0.00 -1.16 0.00 0.00 33.47 32.79 3gtz s TRP 12 CO 0.09 -0.96 -0.19 -1.12 -4.06 0.00 0.00 176.95 170.71 3gtz s SER 13 N -2.84 3.78 -0.02 -2.66 0.01 -1.26 -0.81 113.70 109.90 3gtz s SER 13 Ca 0.07 -0.55 -0.16 0.00 1.31 0.00 0.00 55.95 56.62 3gtz s SER 13 Cb -0.02 -0.52 -0.33 0.00 0.21 0.00 0.00 66.02 65.37 3gtz s SER 13 CO -0.04 0.20 0.84 -0.78 0.41 0.00 0.00 173.24 173.87 3gtz h ASP 14 N 3.99 0.66 -4.15 2.44 3.58 -1.24 -3.47 116.42 118.23 3gtz h ASP 14 Ca -0.49 -0.92 -0.31 0.00 0.42 0.00 0.00 57.03 55.72 3gtz h ASP 14 Cb 1.16 -0.21 -0.26 0.00 1.72 0.00 0.00 39.33 41.74 3gtz h ASP 14 CO 0.46 1.66 -0.75 -0.69 -2.88 0.00 0.00 179.24 177.03 3gtz s VAL 15 N -2.54 0.45 -0.03 2.25 1.01 -1.02 -4.39 120.40 116.12 3gtz s VAL 15 Ca -0.13 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.40 3gtz s VAL 15 Cb 0.04 -0.42 0.01 0.00 0.00 0.00 0.00 36.38 36.01 3gtz s VAL 15 CO 0.88 -0.02 -0.06 -0.69 0.00 0.00 0.00 175.10 175.21 3gtz s VAL 16 N -0.48 0.56 -0.07 2.92 1.01 -1.03 -0.39 120.40 122.92 3gtz s VAL 16 Ca -0.01 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.78 3gtz s VAL 16 Cb -0.04 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.82 3gtz s VAL 16 CO -0.00 0.20 -0.08 -0.63 0.00 0.00 0.00 175.10 174.59 3gtz s ILE 17 N 0.48 0.89 -0.27 2.22 1.01 0.42 -1.00 121.20 124.94 3gtz s ILE 17 Ca -0.06 -0.30 -0.24 0.00 0.00 0.00 0.00 60.65 60.04 3gtz s ILE 17 Cb -0.10 -0.87 0.08 0.00 0.01 0.00 0.00 42.46 41.58 3gtz s ILE 17 CO 0.00 0.31 0.74 -0.47 0.00 0.00 0.00 174.94 175.53 3gtz s TYR 18 N 1.02 -0.78 -1.43 3.97 5.04 -0.10 -0.95 117.35 124.12 3gtz s TYR 18 Ca -0.08 1.88 -0.08 0.00 -2.44 0.00 0.00 57.07 56.34 3gtz s TYR 18 Cb -0.14 0.30 0.05 0.00 0.35 0.00 0.00 41.96 42.52 3gtz s TYR 18 CO -0.00 -0.38 0.91 -1.71 -1.34 0.00 0.00 175.55 173.03 3gtz n ASN 19 N 2.77 -3.65 -3.05 4.32 5.15 0.21 -1.01 115.26 120.00 3gtz n ASN 19 Ca -0.14 -0.76 -0.22 0.00 -0.60 0.00 0.00 54.58 52.85 3gtz n ASN 19 Cb 0.55 -4.10 0.02 0.00 -0.53 0.00 0.00 39.78 35.72 3gtz n ASN 19 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3gtz n ASN 20 N -2.94 -5.16 -3.89 1.20 4.13 -1.26 -4.87 115.26 102.47 3gtz n ASN 20 Ca -0.09 -0.27 -0.11 0.00 1.68 0.00 0.00 54.58 55.79 3gtz n ASN 20 Cb 0.59 -4.21 -0.13 0.00 -1.54 0.00 0.00 39.78 34.49 3gtz n ASN 20 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3gtz s THR 21 N -3.05 0.03 -0.06 3.41 2.01 -0.18 -2.00 115.64 115.81 3gtz s THR 21 Ca 0.30 -0.28 0.05 0.00 0.31 0.00 0.00 61.69 62.06 3gtz s THR 21 Cb -0.14 -0.15 -0.00 0.00 0.01 0.00 0.00 72.50 72.22 3gtz s THR 21 CO 0.36 -0.16 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.70 3gtz s LEU 22 N -0.47 1.99 0.03 4.42 0.20 0.45 -0.93 118.68 124.38 3gtz s LEU 22 Ca -0.05 -0.46 0.04 0.00 0.69 0.00 0.00 54.13 54.35 3gtz s LEU 22 Cb -0.03 -1.21 -0.04 0.00 -0.43 0.00 0.00 46.19 44.48 3gtz s LEU 22 CO -0.00 0.18 -0.08 0.26 -0.29 0.00 0.00 176.35 176.42 3gtz s TRP 23 N 0.08 2.85 -0.28 5.38 0.51 -0.17 -0.75 118.94 126.55 3gtz s TRP 23 Ca -0.08 -0.08 -0.24 0.00 -2.12 0.00 0.00 56.10 53.59 3gtz s TRP 23 Cb -0.14 -1.56 0.11 0.00 -0.81 0.00 0.00 33.47 31.07 3gtz s TRP 23 CO 0.04 0.38 0.93 -0.47 -0.51 0.00 0.00 176.95 177.32 3gtz s TYR 24 N -1.05 -0.60 -0.18 -1.98 5.04 -0.93 -2.47 117.35 115.17 3gtz s TYR 24 Ca 0.18 1.42 -0.07 0.00 -2.44 0.00 0.00 57.07 56.16 3gtz s TYR 24 Cb -0.11 0.35 -0.04 0.00 0.35 0.00 0.00 41.96 42.51 3gtz s TYR 24 CO 0.09 -0.29 0.06 0.99 -1.34 0.00 0.00 175.55 175.06 3gtz s THR 25 N 0.46 4.73 -0.10 4.34 2.01 -1.26 -0.73 115.64 125.08 3gtz s THR 25 Ca 0.00 -0.06 -0.08 0.00 0.31 0.00 0.00 61.69 61.87 3gtz s THR 25 Cb -0.05 -3.13 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 3gtz s THR 25 CO -0.06 0.45 0.18 -0.83 -0.69 0.00 0.00 174.62 173.67 3gtz s GLY 26 N 0.44 2.21 0.07 4.40 0.00 0.15 -4.95 107.32 109.64 3gtz s GLY 26 Ca 0.03 -0.58 0.06 0.00 0.00 0.00 0.00 44.72 44.22 3gtz s GLY 26 CO 0.01 -0.31 -0.16 -1.34 0.00 0.00 0.00 173.10 171.29 3gtz s VAL 27 N -1.05 1.26 0.42 1.40 -7.23 -1.26 -1.95 120.40 111.99 3gtz s VAL 27 Ca 0.17 -1.33 -0.23 0.00 -1.81 0.00 0.00 61.98 58.78 3gtz s VAL 27 Cb -0.13 -1.18 -0.08 0.00 0.56 0.00 0.00 36.38 35.55 3gtz s VAL 27 CO 0.06 -0.16 1.09 -2.16 -0.31 0.00 0.00 175.10 173.62 3gtz s PRO 28 N -1.70 4.02 0.09 4.82 0.04 -1.26 -4.74 135.00 136.27 3gtz s PRO 28 Ca 0.00 1.59 0.22 0.00 0.04 0.00 0.00 61.00 62.86 3gtz s PRO 28 Cb -0.10 -2.48 -0.14 0.00 0.04 0.00 0.00 34.50 31.83 3gtz s PRO 28 CO 0.03 -0.29 0.81 0.39 0.04 0.00 0.00 177.00 177.98 3gtz n GLU 29 N -0.24 0.59 -2.45 4.56 1.02 -1.26 -4.68 120.64 118.18 3gtz n GLU 29 Ca 0.06 -0.02 -0.43 0.00 -0.02 0.00 0.00 57.16 56.75 3gtz n GLU 29 Cb 0.49 -1.68 0.01 0.00 -0.02 0.00 0.00 31.44 30.24 3gtz n GLU 29 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3gtz n ASN 30 N -2.43 5.26 0.16 1.62 6.94 -1.26 -4.87 115.26 120.68 3gtz n ASN 30 Ca -0.01 -3.14 0.13 0.00 -0.02 0.00 0.00 54.58 51.53 3gtz n ASN 30 Cb 0.55 -1.46 0.55 0.00 -2.36 0.00 0.00 39.78 37.06 3gtz n ASN 30 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 3gtz h LEU 31 N 7.64 0.00 -1.43 -4.53 3.38 -1.89 -1.85 115.31 116.63 3gtz h LEU 31 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 3gtz h LEU 31 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3gtz h LEU 31 CO 1.57 0.00 -0.17 0.47 0.09 0.00 0.00 178.44 180.40 3gtz n ASP 32 N -2.38 2.39 -4.42 -0.43 8.00 -1.26 -4.79 116.55 113.65 3gtz n ASP 32 Ca 0.01 -1.71 -0.29 0.00 0.71 0.00 0.00 54.79 53.50 3gtz n ASP 32 Cb 0.21 0.16 0.15 0.00 -0.02 0.00 0.00 41.12 41.62 3gtz n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gtz s ALA 33 N -2.18 2.36 0.70 2.24 0.00 -0.70 -5.08 121.76 119.10 3gtz s ALA 33 Ca 0.26 -0.98 -0.06 0.00 0.00 0.00 0.00 51.96 51.17 3gtz s ALA 33 Cb 0.19 -2.85 0.06 0.00 0.00 0.00 0.00 23.12 20.53 3gtz s ALA 33 CO 0.40 -2.17 1.01 0.16 0.00 0.00 0.00 175.76 175.16 3gtz s ASP 34 N -4.75 4.79 0.14 0.00 3.84 -1.26 -4.79 116.67 114.63 3gtz s ASP 34 Ca 0.69 0.40 -0.31 0.00 -0.00 0.00 0.00 52.55 53.33 3gtz s ASP 34 Cb -0.07 -1.04 -0.07 0.00 -1.38 0.00 0.00 42.92 40.36 3gtz s ASP 34 CO 0.52 -1.60 1.56 0.00 -0.00 0.00 0.00 175.17 175.64 3gtz h ALA 35 N -0.58 -0.67 -0.95 2.11 0.00 -1.96 0.19 119.26 117.40 3gtz h ALA 35 Ca -0.44 0.02 0.21 0.00 0.00 0.00 0.00 54.91 54.70 3gtz h ALA 35 Cb 1.31 1.06 -0.12 0.00 0.00 0.00 0.00 17.79 20.04 3gtz h ALA 35 CO 0.59 -1.00 0.51 0.35 0.00 0.00 0.00 179.25 179.70 3gtz h PHE 36 N -0.38 0.87 0.00 0.00 3.57 -1.91 0.12 116.94 119.21 3gtz h PHE 36 Ca 0.09 0.04 -0.25 0.00 3.53 0.00 0.00 57.97 61.38 3gtz h PHE 36 Cb 0.60 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 3gtz h PHE 36 CO -0.70 0.07 -1.37 1.49 -2.23 0.00 0.00 178.31 175.57 3gtz h GLU 37 N 0.56 0.00 -0.42 1.11 4.57 -1.64 -2.18 114.58 116.59 3gtz h GLU 37 Ca 0.58 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.65 3gtz h GLU 37 Cb 1.04 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.61 3gtz h GLU 37 CO -0.46 0.69 -0.18 1.96 -1.18 0.00 0.00 179.01 179.84 3gtz h GLN 38 N 0.00 0.81 0.70 1.92 4.20 0.05 -2.07 115.11 120.71 3gtz h GLN 38 Ca -0.16 -0.31 -0.03 0.00 0.06 0.00 0.00 58.65 58.21 3gtz h GLN 38 Cb 1.88 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 29.62 3gtz h GLN 38 CO 0.10 0.93 -0.34 1.15 -0.67 0.00 0.00 178.83 180.00 3gtz h THR 39 N 0.71 0.27 -0.80 -0.54 2.02 -0.80 -1.36 112.91 112.42 3gtz h THR 39 Ca 0.11 -0.11 0.13 0.00 0.77 0.00 0.00 66.41 67.31 3gtz h THR 39 Cb 0.69 0.30 -0.09 0.00 -1.74 0.00 0.00 68.15 67.31 3gtz h THR 39 CO 0.05 0.01 0.39 0.00 0.37 0.00 0.00 175.52 176.34 3gtz h ALA 40 N -0.77 1.16 -0.29 6.16 0.00 -1.40 0.17 119.26 124.29 3gtz h ALA 40 Ca -0.10 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3gtz h ALA 40 Cb 0.74 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3gtz h ALA 40 CO 0.16 -0.11 0.19 -0.97 0.00 0.00 0.00 179.25 178.52 3gtz h ASN 41 N 0.58 0.33 -0.64 0.00 -0.73 -1.32 -1.25 115.58 112.55 3gtz h ASN 41 Ca 0.43 -0.01 0.05 0.00 1.87 0.00 0.00 56.30 58.63 3gtz h ASN 41 Cb 0.58 -0.08 -0.05 0.00 0.27 0.00 0.00 38.32 39.04 3gtz h ASN 41 CO -0.35 0.25 0.36 0.74 -0.37 0.00 0.00 177.43 178.06 3gtz h THR 42 N 0.39 1.00 -0.62 -3.57 2.02 0.05 -2.13 112.91 110.04 3gtz h THR 42 Ca 0.11 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 67.02 3gtz h THR 42 Cb -0.04 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 66.60 3gtz h THR 42 CO -0.02 0.12 0.25 -0.07 0.37 0.00 0.00 175.52 176.17 3gtz h LEU 43 N 0.68 0.83 -0.21 2.58 3.38 -0.63 -1.71 115.31 120.24 3gtz h LEU 43 Ca 0.28 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 3gtz h LEU 43 Cb 0.13 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3gtz h LEU 43 CO -0.16 0.74 -0.07 0.00 0.09 0.00 0.00 178.44 179.05 3gtz h ALA 44 N 1.38 0.29 -0.93 1.53 0.00 -0.78 -0.96 119.26 119.79 3gtz h ALA 44 Ca 0.21 -0.27 0.15 0.00 0.00 0.00 0.00 54.91 55.00 3gtz h ALA 44 Cb 0.17 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.80 3gtz h ALA 44 CO -0.02 0.10 0.54 1.96 0.00 0.00 0.00 179.25 181.82 3gtz h GLN 45 N 0.13 0.75 -0.07 0.00 4.20 -1.16 0.05 115.11 119.02 3gtz h GLN 45 Ca 0.05 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3gtz h GLN 45 Cb 0.54 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 3gtz h GLN 45 CO 0.02 0.50 0.04 0.82 -0.67 0.00 0.00 178.83 179.54 3gtz h ILE 46 N 0.78 1.09 -0.80 2.54 2.04 -0.79 0.99 117.51 123.36 3gtz h ILE 46 Ca 0.50 -0.26 0.13 0.00 1.00 0.00 0.00 64.86 66.23 3gtz h ILE 46 Cb 0.64 1.14 -0.09 0.00 -0.74 0.00 0.00 36.82 37.77 3gtz h ILE 46 CO -0.33 0.08 0.39 0.44 0.00 0.00 0.00 178.15 178.73 3gtz h ASP 47 N 0.01 0.47 -0.48 1.72 3.32 -0.75 0.16 116.42 120.88 3gtz h ASP 47 Ca 0.02 0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 3gtz h ASP 47 Cb 0.09 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3gtz h ASP 47 CO -0.00 0.22 0.14 0.00 -1.72 0.00 0.00 179.24 177.87 3gtz h ALA 48 N 1.52 0.63 -0.34 3.45 0.00 0.01 -1.03 119.26 123.51 3gtz h ALA 48 Ca 0.42 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3gtz h ALA 48 Cb 0.56 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3gtz h ALA 48 CO -0.34 0.30 0.08 0.28 0.00 0.00 0.00 179.25 179.57 3gtz h VAL 49 N 0.65 1.23 -0.41 0.00 2.07 -0.16 -2.40 116.25 117.23 3gtz h VAL 49 Ca 0.15 -0.77 -0.10 0.00 0.82 0.00 0.00 66.70 66.80 3gtz h VAL 49 Cb 0.30 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 3gtz h VAL 49 CO -0.00 0.26 -0.16 -0.07 0.02 0.00 0.00 177.57 177.62 3gtz h LEU 50 N 0.39 0.78 -0.51 2.57 3.38 -0.46 -3.10 115.31 118.36 3gtz h LEU 50 Ca 0.11 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 3gtz h LEU 50 Cb 0.31 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3gtz h LEU 50 CO 0.00 0.94 0.05 -0.33 0.09 0.00 0.00 178.44 179.19 3gtz h GLU 51 N 0.69 0.88 -0.38 1.13 4.39 -1.09 0.57 114.58 120.77 3gtz h GLU 51 Ca 0.11 -0.25 0.09 0.00 0.34 0.00 0.00 59.36 59.65 3gtz h GLU 51 Cb 0.65 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 3gtz h GLU 51 CO 0.05 0.88 0.27 0.87 -1.16 0.00 0.00 179.01 179.91 3gtz h LYS 52 N 0.75 0.09 -0.10 2.33 1.79 -1.35 -1.41 116.57 118.67 3gtz h LYS 52 Ca 0.15 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 3gtz h LYS 52 Cb 0.45 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 3gtz h LYS 52 CO 0.02 0.06 0.00 1.04 -1.08 0.00 0.00 179.45 179.48 3gtz n GLN 53 N -4.45 2.12 0.00 3.15 1.13 -1.13 -4.95 117.38 113.25 3gtz n GLN 53 Ca 0.06 -1.65 0.00 0.00 -1.94 0.00 0.00 57.00 53.47 3gtz n GLN 53 Cb 0.39 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.27 3gtz n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3gtz n GLY 54 N 1.31 0.73 0.00 1.08 0.00 -0.53 -5.03 105.19 102.74 3gtz n GLY 54 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3gtz n GLY 54 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gtz n SER 55 N 0.00 0.00 -3.36 1.61 2.88 0.17 -4.94 113.62 109.99 3gtz n SER 55 Ca 0.00 -0.32 -0.04 0.00 -1.33 0.00 0.00 58.87 57.18 3gtz n SER 55 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 3gtz n SER 55 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3gtz s SER 56 N -1.00 -0.02 0.00 -3.46 1.04 -1.26 -3.75 113.70 105.25 3gtz s SER 56 Ca 0.00 -0.70 0.23 0.00 0.48 0.00 0.00 55.95 55.95 3gtz s SER 56 Cb 0.00 0.54 1.35 0.00 0.10 0.00 0.00 66.02 68.01 3gtz s SER 56 CO 0.00 -1.07 1.72 2.29 0.98 0.00 0.00 173.24 177.16 3gtz n LYS 57 N -0.65 0.71 0.00 4.02 2.85 -1.26 -1.21 118.16 122.61 3gtz n LYS 57 Ca -0.04 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.35 3gtz n LYS 57 Cb 0.60 -1.50 0.41 0.00 -0.65 0.00 0.00 35.03 33.89 3gtz n LYS 57 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 3gtz n SER 58 N -1.00 0.62 -0.20 -5.58 7.64 -1.26 -4.35 113.62 109.49 3gtz n SER 58 Ca 0.17 -0.46 0.08 0.00 1.01 0.00 0.00 58.87 59.67 3gtz n SER 58 Cb 0.08 0.06 0.12 0.00 -1.01 0.00 0.00 64.21 63.46 3gtz n SER 58 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3gtz n ARG 59 N -1.09 1.09 -2.75 1.43 1.74 -0.35 -4.93 116.66 111.79 3gtz n ARG 59 Ca 0.10 -2.38 -0.40 0.00 -0.77 0.00 0.00 57.85 54.39 3gtz n ARG 59 Cb 0.33 -1.33 -0.06 0.00 -1.02 0.00 0.00 32.46 30.38 3gtz n ARG 59 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3gtz s ILE 60 N -2.42 4.14 -0.24 0.55 1.01 -1.25 -1.01 121.20 122.00 3gtz s ILE 60 Ca 0.28 2.08 0.02 0.00 0.00 0.00 0.00 60.65 63.02 3gtz s ILE 60 Cb 0.25 -4.33 -0.15 0.00 0.01 0.00 0.00 42.46 38.24 3gtz s ILE 60 CO 0.01 0.47 -0.21 0.18 0.00 0.00 0.00 174.94 175.39 3gtz n LEU 61 N 1.69 2.96 -3.73 2.97 4.77 0.08 -4.25 117.00 121.50 3gtz n LEU 61 Ca -0.01 -0.12 -0.13 0.00 -0.03 0.00 0.00 56.01 55.71 3gtz n LEU 61 Cb 0.47 -0.83 -0.09 0.00 -2.33 0.00 0.00 43.42 40.64 3gtz n LEU 61 CO 0.50 0.89 0.07 -0.62 -1.33 0.00 0.00 177.39 176.90 3gtz s ASP 62 N -6.31 -0.33 -0.08 -1.43 2.15 -1.09 -2.04 116.67 107.54 3gtz s ASP 62 Ca -0.32 0.47 -0.03 0.00 0.43 0.00 0.00 52.55 53.10 3gtz s ASP 62 Cb 0.08 0.57 0.04 0.00 -0.30 0.00 0.00 42.92 43.31 3gtz s ASP 62 CO 0.55 -0.30 0.16 0.00 -0.17 0.00 0.00 175.17 175.40 3gtz s ALA 63 N -0.57 -0.19 -0.25 3.66 0.00 0.16 -1.63 121.76 122.94 3gtz s ALA 63 Ca -0.07 0.60 -0.03 0.00 0.00 0.00 0.00 51.96 52.46 3gtz s ALA 63 Cb -0.04 -0.72 0.02 0.00 0.00 0.00 0.00 23.12 22.38 3gtz s ALA 63 CO 0.03 -0.45 -0.03 0.99 0.00 0.00 0.00 175.76 176.29 3gtz s THR 64 N 1.99 3.15 -0.29 0.00 2.01 -0.55 -0.09 115.64 121.86 3gtz s THR 64 Ca -0.00 -0.88 -0.11 0.00 0.31 0.00 0.00 61.69 61.01 3gtz s THR 64 Cb -0.12 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.77 3gtz s THR 64 CO -0.06 0.21 0.19 -0.63 -0.69 0.00 0.00 174.62 173.64 3gtz s ILE 65 N 1.38 5.18 -0.21 1.82 1.01 0.33 -1.58 121.20 129.13 3gtz s ILE 65 Ca 0.02 0.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.59 3gtz s ILE 65 Cb -0.16 -3.51 -0.05 0.00 0.01 0.00 0.00 42.46 38.75 3gtz s ILE 65 CO -0.03 0.20 0.19 -0.36 0.00 0.00 0.00 174.94 174.93 3gtz s PHE 66 N 1.73 3.38 -0.02 3.97 0.08 0.17 -1.27 117.98 126.01 3gtz s PHE 66 Ca 0.07 0.35 0.03 0.00 0.12 0.00 0.00 56.93 57.50 3gtz s PHE 66 Cb -0.16 -2.25 -0.03 0.00 -0.57 0.00 0.00 43.02 40.00 3gtz s PHE 66 CO 0.10 0.18 -0.09 -0.51 -0.10 0.00 0.00 175.22 174.80 3gtz s LEU 67 N 0.70 3.03 0.24 -0.37 1.43 0.62 -1.74 118.68 122.59 3gtz s LEU 67 Ca 0.10 -0.15 0.10 0.00 -1.03 0.00 0.00 54.13 53.15 3gtz s LEU 67 Cb -0.12 -1.70 0.22 0.00 0.03 0.00 0.00 46.19 44.62 3gtz s LEU 67 CO 0.02 0.32 1.53 0.77 0.23 0.00 0.00 176.35 179.21 3gtz h SER 68 N 4.89 0.00 -3.50 2.29 4.64 -1.08 -0.04 113.55 120.75 3gtz h SER 68 Ca -0.48 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.40 3gtz h SER 68 Cb 1.16 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.92 3gtz h SER 68 CO 0.52 0.70 -0.78 -0.62 -0.87 0.00 0.00 176.83 175.77 3gtz s ASP 69 N -6.77 1.17 0.62 4.97 -1.08 -1.26 -4.67 116.67 109.65 3gtz s ASP 69 Ca -0.00 -0.18 0.35 0.00 -0.52 0.00 0.00 52.55 52.20 3gtz s ASP 69 Cb 0.12 -0.52 2.03 0.00 -1.46 0.00 0.00 42.92 43.08 3gtz s ASP 69 CO 0.77 -0.01 2.27 0.07 0.52 0.00 0.00 175.17 178.79 3gtz h LYS 70 N 6.99 0.00 0.00 4.34 2.10 -1.98 -2.52 116.57 125.49 3gtz h LYS 70 Ca -0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 3gtz h LYS 70 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 3gtz h LYS 70 CO 0.48 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.93 3gtz n ALA 71 N -2.21 2.37 0.31 0.07 0.00 -1.26 -3.59 120.51 116.20 3gtz n ALA 71 Ca -0.02 -0.14 0.08 0.00 0.00 0.00 0.00 53.44 53.36 3gtz n ALA 71 Cb 0.12 -1.43 0.13 0.00 0.00 0.00 0.00 19.45 18.27 3gtz n ALA 71 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gtz n ASP 72 N -1.21 2.78 0.10 0.00 8.00 -0.95 -4.58 116.55 120.69 3gtz n ASP 72 Ca 0.15 -1.81 -0.15 0.00 0.71 0.00 0.00 54.79 53.68 3gtz n ASP 72 Cb 0.18 -0.14 -0.08 0.00 -0.02 0.00 0.00 41.12 41.06 3gtz n ASP 72 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 3gtz h PHE 73 N 3.17 -1.27 -1.00 1.24 0.04 -1.77 -0.91 116.94 116.44 3gtz h PHE 73 Ca 0.00 0.03 0.13 0.00 2.80 0.00 0.00 57.97 60.94 3gtz h PHE 73 Cb 0.75 0.55 -0.09 0.00 2.20 0.00 0.00 35.95 39.36 3gtz h PHE 73 CO 0.14 -0.54 0.63 0.00 -0.60 0.00 0.00 178.31 177.94 3gtz h ALA 74 N -0.24 1.57 -0.32 2.45 0.00 -1.89 -0.74 119.26 120.09 3gtz h ALA 74 Ca 0.02 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 3gtz h ALA 74 Cb 0.70 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3gtz h ALA 74 CO -0.27 0.16 -0.39 0.00 0.00 0.00 0.00 179.25 178.75 3gtz h ALA 75 N 1.56 0.48 -0.20 0.00 0.00 -1.75 -1.65 119.26 117.71 3gtz h ALA 75 Ca 0.51 -0.45 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 3gtz h ALA 75 Cb 0.57 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3gtz h ALA 75 CO -0.28 0.59 -0.45 0.00 0.00 0.00 0.00 179.25 179.11 3gtz h MET 76 N 0.62 0.50 -0.72 0.00 -0.00 -0.49 -1.89 114.93 112.95 3gtz h MET 76 Ca 0.04 -0.27 0.06 0.00 -0.00 0.00 0.00 59.70 59.53 3gtz h MET 76 Cb 0.99 0.01 -0.06 0.00 -0.00 0.00 0.00 31.60 32.54 3gtz h MET 76 CO 0.09 0.86 0.42 -0.91 -0.00 0.00 0.00 176.91 177.37 3gtz h ASN 77 N 0.40 0.64 -0.36 -0.10 2.35 -1.16 -0.59 115.58 116.76 3gtz h ASN 77 Ca 0.03 0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.82 3gtz h ASN 77 Cb 0.96 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 39.19 3gtz h ASN 77 CO 0.08 0.42 0.21 0.50 -1.65 0.00 0.00 177.43 176.99 3gtz h LYS 78 N 0.78 0.42 -0.11 0.81 3.64 -0.84 -0.99 116.57 120.28 3gtz h LYS 78 Ca 0.32 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.59 3gtz h LYS 78 Cb 0.17 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3gtz h LYS 78 CO -0.17 0.28 -0.32 0.00 -2.27 0.00 0.00 179.45 176.96 3gtz h ALA 79 N 1.16 1.26 -0.10 5.00 0.00 -1.16 -2.92 119.26 122.50 3gtz h ALA 79 Ca 0.14 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3gtz h ALA 79 Cb 0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3gtz h ALA 79 CO -0.07 0.51 -0.03 2.35 0.00 0.00 0.00 179.25 182.01 3gtz h TRP 80 N 0.18 0.22 -0.21 0.00 2.91 -0.80 -3.03 115.95 115.23 3gtz h TRP 80 Ca 0.02 -0.05 -0.06 0.00 1.13 0.00 0.00 58.89 59.93 3gtz h TRP 80 Cb 0.67 -0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 29.25 3gtz h TRP 80 CO 0.01 0.52 -0.14 -0.44 -1.03 0.00 0.00 178.44 177.36 3gtz h ASP 81 N -0.14 0.33 0.36 2.65 3.32 -1.14 0.38 116.42 122.18 3gtz h ASP 81 Ca 0.02 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 56.91 3gtz h ASP 81 Cb 0.45 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3gtz h ASP 81 CO 0.01 0.50 -0.38 0.00 -1.72 0.00 0.00 179.24 177.66 3gtz h ALA 82 N 1.53 1.35 0.07 3.45 0.00 -1.59 -3.34 119.26 120.74 3gtz h ALA 82 Ca 0.06 -0.35 -0.32 0.00 0.00 0.00 0.00 54.91 54.31 3gtz h ALA 82 Cb 0.45 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3gtz h ALA 82 CO 0.03 0.49 -1.73 1.87 0.00 0.00 0.00 179.25 179.91 3gtz n TRP 83 N -4.08 1.14 -2.02 0.00 -0.00 -0.57 -5.00 117.44 106.91 3gtz n TRP 83 Ca -0.02 0.33 -0.37 0.00 -0.00 0.00 0.00 57.50 57.44 3gtz n TRP 83 Cb 0.42 -1.14 0.02 0.00 -0.00 0.00 0.00 31.31 30.61 3gtz n TRP 83 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 3gtz s VAL 84 N -2.48 2.61 -0.41 5.87 0.11 0.12 -4.98 120.40 121.23 3gtz s VAL 84 Ca -0.25 0.43 -0.18 0.00 -2.93 0.00 0.00 61.98 59.05 3gtz s VAL 84 Cb 0.06 -3.20 0.02 0.00 -1.53 0.00 0.00 36.38 31.73 3gtz s VAL 84 CO 0.69 -0.03 0.47 -0.69 -3.33 0.00 0.00 175.10 172.21 3gtz s VAL 85 N -1.48 5.05 0.29 2.04 1.01 -1.26 -4.96 120.40 121.09 3gtz s VAL 85 Ca 0.71 -0.21 -0.30 0.00 0.00 0.00 0.00 61.98 62.17 3gtz s VAL 85 Cb -0.33 -4.05 -0.12 0.00 0.00 0.00 0.00 36.38 31.88 3gtz s VAL 85 CO 0.39 -0.42 1.50 0.00 0.00 0.00 0.00 175.10 176.57 3gtz n ALA 86 N 5.70 1.97 -0.85 5.51 0.00 -1.26 -0.45 120.51 131.12 3gtz n ALA 86 Ca -0.06 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.76 3gtz n ALA 86 Cb 0.48 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.54 3gtz n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gtz n GLY 87 N 1.90 0.46 1.36 0.00 0.00 -1.26 -4.77 105.19 102.88 3gtz n GLY 87 Ca 0.09 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.14 3gtz n GLY 87 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3gtz n HIS 88 N -2.19 0.22 -2.62 1.61 -0.00 0.40 -5.10 115.22 107.55 3gtz n HIS 88 Ca 0.00 -1.01 -0.38 0.00 -0.00 0.00 0.00 57.72 56.33 3gtz n HIS 88 Cb 0.08 -0.19 -0.05 0.00 -0.00 0.00 0.00 29.99 29.82 3gtz n HIS 88 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3gtz s ALA 89 N -1.45 3.23 0.70 -1.41 0.00 -1.09 -4.71 121.76 117.03 3gtz s ALA 89 Ca 0.35 0.69 -0.08 0.00 0.00 0.00 0.00 51.96 52.92 3gtz s ALA 89 Cb 0.38 -3.25 0.05 0.00 0.00 0.00 0.00 23.12 20.30 3gtz s ALA 89 CO -0.12 -0.04 1.03 -1.25 0.00 0.00 0.00 175.76 175.38 3gtz s PRO 90 N -1.97 2.34 0.39 0.00 0.04 -1.26 -5.00 135.00 129.52 3gtz s PRO 90 Ca 0.51 -0.08 -0.27 0.00 0.04 0.00 0.00 61.00 61.20 3gtz s PRO 90 Cb -0.24 -2.13 -0.09 0.00 0.04 0.00 0.00 34.50 32.08 3gtz s PRO 90 CO 0.30 -1.20 1.29 0.08 0.04 0.00 0.00 177.00 177.51 3gtz s VAL 91 N -3.28 2.70 0.06 -0.36 1.01 -0.87 -4.90 120.40 114.76 3gtz s VAL 91 Ca 0.59 0.64 0.04 0.00 0.00 0.00 0.00 61.98 63.26 3gtz s VAL 91 Cb -0.11 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 3gtz s VAL 91 CO 0.46 0.11 -0.12 -0.60 0.00 0.00 0.00 175.10 174.94 3gtz s ARG 92 N -2.14 0.75 -0.05 2.72 3.52 -1.26 -0.67 118.95 121.82 3gtz s ARG 92 Ca 0.55 -0.88 0.01 0.00 -0.13 0.00 0.00 55.73 55.28 3gtz s ARG 92 Cb -0.38 -0.69 0.02 0.00 -1.56 0.00 0.00 34.95 32.34 3gtz s ARG 92 CO 0.49 0.15 -0.06 0.00 -0.81 0.00 0.00 175.30 175.07 3gtz s THR 94 N 0.93 1.43 0.16 0.00 2.01 -1.26 0.12 115.64 119.04 3gtz s THR 94 Ca -0.11 -0.56 -0.00 0.00 0.31 0.00 0.00 61.69 61.34 3gtz s THR 94 Cb -0.14 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.97 3gtz s THR 94 CO 0.00 0.43 0.05 0.68 -0.69 0.00 0.00 174.62 175.10 3gtz s VAL 95 N 1.44 0.28 -0.23 3.82 -7.23 -0.40 -4.96 120.40 113.11 3gtz s VAL 95 Ca 0.03 -1.94 -0.09 0.00 -1.81 0.00 0.00 61.98 58.17 3gtz s VAL 95 Cb -0.13 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 3gtz s VAL 95 CO -0.08 -0.39 0.11 -1.58 -0.31 0.00 0.00 175.10 172.84 3gtz s GLN 96 N -4.02 3.92 0.20 4.82 -0.44 -1.26 -0.28 119.66 122.60 3gtz s GLN 96 Ca 0.26 -0.35 -0.10 0.00 -2.50 0.00 0.00 55.36 52.67 3gtz s GLN 96 Cb 0.07 -3.40 -0.01 0.00 -1.64 0.00 0.00 33.01 28.03 3gtz s GLN 96 CO 0.04 0.03 0.37 0.00 0.50 0.00 0.00 175.29 176.23 3gtz s ALA 97 N 1.09 -0.05 0.18 1.58 0.00 -0.03 -4.91 121.76 119.62 3gtz s ALA 97 Ca 0.06 -0.92 -0.31 0.00 0.00 0.00 0.00 51.96 50.79 3gtz s ALA 97 Cb -0.14 1.00 -0.09 0.00 0.00 0.00 0.00 23.12 23.90 3gtz s ALA 97 CO 0.04 -0.74 1.38 0.20 0.00 0.00 0.00 175.76 176.64 3gtz s GLY 98 N -3.00 2.21 0.33 0.00 0.00 -1.26 -3.83 107.32 101.76 3gtz s GLY 98 Ca 0.21 1.17 0.07 0.00 0.00 0.00 0.00 44.72 46.17 3gtz s GLY 98 CO 0.05 2.24 0.40 1.08 0.00 0.00 0.00 173.10 176.87 3gtz s LEU 99 N 0.33 3.87 -0.06 0.66 1.02 -1.26 -5.04 118.68 118.19 3gtz s LEU 99 Ca 0.61 -0.27 -0.23 0.00 0.02 0.00 0.00 54.13 54.25 3gtz s LEU 99 Cb -0.38 -2.58 -0.29 0.00 0.02 0.00 0.00 46.19 42.96 3gtz s LEU 99 CO 0.36 -0.38 0.91 -0.03 0.02 0.00 0.00 176.35 177.23 3gtz h MET 100 N 1.03 0.25 -5.79 1.70 4.05 -1.96 -3.42 114.93 110.79 3gtz h MET 100 Ca -0.46 -0.39 -0.59 0.00 -0.28 0.00 0.00 59.70 57.99 3gtz h MET 100 Cb 1.25 0.14 -0.08 0.00 -0.80 0.00 0.00 31.60 32.11 3gtz h MET 100 CO 0.55 1.16 0.23 1.21 0.23 0.00 0.00 176.91 180.29 3gtz s ASN 101 N -6.76 6.81 0.23 1.39 3.84 -1.26 -4.95 114.94 114.23 3gtz s ASN 101 Ca -0.15 0.99 0.18 0.00 0.21 0.00 0.00 52.86 54.09 3gtz s ASN 101 Cb 0.00 -2.39 0.88 0.00 -0.55 0.00 0.00 41.25 39.19 3gtz s ASN 101 CO 0.80 -0.32 1.54 -0.81 -2.79 0.00 0.00 177.10 175.52 3gtz n PRO 102 N 5.08 0.12 -0.05 0.43 -0.04 -1.26 -0.87 135.00 138.40 3gtz n PRO 102 Ca 0.01 0.54 0.12 0.00 -0.04 0.00 0.00 63.50 64.13 3gtz n PRO 102 Cb 0.49 -1.83 0.40 0.00 -0.04 0.00 0.00 33.50 32.53 3gtz n PRO 102 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3gtz n LYS 103 N -2.06 1.80 -2.51 0.54 5.02 -1.26 -4.87 118.16 114.82 3gtz n LYS 103 Ca 0.00 -1.19 -0.43 0.00 -2.02 0.00 0.00 58.31 54.67 3gtz n LYS 103 Cb 0.08 -1.44 -0.02 0.00 -0.02 0.00 0.00 35.03 33.63 3gtz n LYS 103 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3gtz s TYR 104 N -1.87 3.08 -0.06 2.13 2.02 -0.05 -4.81 117.35 117.80 3gtz s TYR 104 Ca 0.35 1.21 0.10 0.00 -0.37 0.00 0.00 57.07 58.36 3gtz s TYR 104 Cb 0.19 -3.41 -0.23 0.00 -0.40 0.00 0.00 41.96 38.11 3gtz s TYR 104 CO 0.30 -1.21 0.62 1.63 -1.57 0.00 0.00 175.55 175.31 3gtz n LYS 105 N 6.21 0.65 -3.90 -0.62 4.76 -1.26 -4.57 118.16 119.43 3gtz n LYS 105 Ca 0.13 0.29 -0.09 0.00 -2.87 0.00 0.00 58.31 55.76 3gtz n LYS 105 Cb 0.46 -1.78 -0.09 0.00 -1.84 0.00 0.00 35.03 31.78 3gtz n LYS 105 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3gtz s VAL 106 N -2.59 0.13 -0.24 -0.18 0.11 -1.26 -0.82 120.40 115.55 3gtz s VAL 106 Ca -0.07 -1.08 -0.13 0.00 -2.93 0.00 0.00 61.98 57.77 3gtz s VAL 106 Cb 0.08 -1.01 0.07 0.00 -1.53 0.00 0.00 36.38 33.99 3gtz s VAL 106 CO 0.82 -0.59 0.57 -0.70 -3.33 0.00 0.00 175.10 171.87 3gtz s GLU 107 N -2.87 0.57 -0.16 1.54 2.12 -0.71 -4.37 118.70 114.82 3gtz s GLU 107 Ca -0.03 1.07 0.00 0.00 0.36 0.00 0.00 54.97 56.37 3gtz s GLU 107 Cb 0.00 0.11 0.03 0.00 0.26 0.00 0.00 34.13 34.54 3gtz s GLU 107 CO -0.06 -0.16 -0.11 0.42 -0.54 0.00 0.00 175.26 174.82 3gtz s ILE 108 N 1.63 1.42 -0.05 -3.70 1.01 -0.82 -0.66 121.20 120.03 3gtz s ILE 108 Ca -0.09 -0.66 -0.11 0.00 0.00 0.00 0.00 60.65 59.79 3gtz s ILE 108 Cb -0.07 -1.43 -0.05 0.00 0.01 0.00 0.00 42.46 40.93 3gtz s ILE 108 CO -0.17 0.32 0.28 -0.75 0.00 0.00 0.00 174.94 174.62 3gtz s LYS 109 N 1.53 3.69 -0.04 2.79 2.20 -0.62 0.34 119.74 129.63 3gtz s LYS 109 Ca 0.03 0.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.79 3gtz s LYS 109 Cb -0.14 -3.20 0.03 0.00 -1.51 0.00 0.00 37.83 33.01 3gtz s LYS 109 CO -0.09 0.73 -0.01 0.42 -0.36 0.00 0.00 175.35 176.04 3gtz s ILE 110 N -1.07 0.26 -0.11 5.43 -1.09 0.09 -1.47 121.20 123.23 3gtz s ILE 110 Ca 0.20 0.05 0.02 0.00 -2.23 0.00 0.00 60.65 58.69 3gtz s ILE 110 Cb -0.14 -0.35 -0.01 0.00 -1.58 0.00 0.00 42.46 40.38 3gtz s ILE 110 CO 0.09 0.17 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.12 3gtz s VAL 111 N 1.07 2.76 0.22 2.92 1.01 -0.65 -2.19 120.40 125.55 3gtz s VAL 111 Ca -0.09 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.11 3gtz s VAL 111 Cb -0.14 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 3gtz s VAL 111 CO -0.01 0.54 0.12 0.00 0.00 0.00 0.00 175.10 175.75 3gtz s ALA 112 N 0.15 1.38 0.08 5.51 0.00 0.07 -0.74 121.76 128.21 3gtz s ALA 112 Ca -0.09 -1.76 -0.06 0.00 0.00 0.00 0.00 51.96 50.05 3gtz s ALA 112 Cb -0.15 1.27 -0.05 0.00 0.00 0.00 0.00 23.12 24.19 3gtz s ALA 112 CO 0.05 -0.55 0.33 0.00 0.00 0.00 0.00 175.76 175.60 3gtz s ALA 113 N -4.01 3.82 0.00 0.00 0.00 -0.18 -0.41 121.76 120.99 3gtz s ALA 113 Ca 0.39 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.79 3gtz s ALA 113 Cb 0.07 -2.10 0.00 0.00 0.00 0.00 0.00 23.12 21.09 3gtz s ALA 113 CO 0.13 0.66 0.00 1.55 0.00 0.00 0.00 175.76 178.10