#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1neg s GLU 7 N 0.00 3.54 0.09 1.64 2.02 -1.26 -5.02 118.70 119.71 1neg s GLU 7 Ca 0.00 -0.21 0.06 0.00 0.02 0.00 0.00 54.97 54.84 1neg s GLU 7 Cb 0.00 -2.99 -0.03 0.00 0.10 0.00 0.00 34.13 31.21 1neg s GLU 7 CO 0.00 0.58 -0.16 -0.51 0.02 0.00 0.00 175.26 175.19 1neg s LEU 8 N -2.31 2.30 0.05 1.80 1.43 -1.26 -0.43 118.68 120.26 1neg s LEU 8 Ca 0.34 -0.66 0.03 0.00 -1.03 0.00 0.00 54.13 52.81 1neg s LEU 8 Cb -0.13 -0.62 -0.03 0.00 0.03 0.00 0.00 46.19 45.44 1neg s LEU 8 CO 0.23 -0.05 -0.08 0.68 0.23 0.00 0.00 176.35 177.36 1neg s VAL 9 N -1.34 0.63 -0.15 -1.59 -7.23 -0.55 -0.72 120.40 109.45 1neg s VAL 9 Ca 0.02 -1.20 -0.05 0.00 -1.81 0.00 0.00 61.98 58.93 1neg s VAL 9 Cb -0.09 -0.78 -0.04 0.00 0.56 0.00 0.00 36.38 36.03 1neg s VAL 9 CO 0.03 -0.41 0.03 -0.22 -0.31 0.00 0.00 175.10 174.22 1neg s LEU 10 N -1.76 3.69 -0.26 1.32 2.96 0.03 -0.25 118.68 124.41 1neg s LEU 10 Ca -0.07 0.08 -0.28 0.00 -0.22 0.00 0.00 54.13 53.64 1neg s LEU 10 Cb -0.08 -1.90 0.01 0.00 0.50 0.00 0.00 46.19 44.71 1neg s LEU 10 CO 0.00 0.23 1.02 0.00 -1.32 0.00 0.00 176.35 176.29 1neg s ALA 11 N 0.00 3.62 -0.13 5.97 0.00 -0.29 -1.52 121.76 129.41 1neg s ALA 11 Ca 0.04 0.05 0.18 0.00 0.00 0.00 0.00 51.96 52.24 1neg s ALA 11 Cb -0.12 -3.56 0.32 0.00 0.00 0.00 0.00 23.12 19.76 1neg s ALA 11 CO 0.01 -1.19 1.57 -0.07 0.00 0.00 0.00 175.76 176.08 1neg h LEU 12 N 9.64 0.00 -8.04 0.00 3.38 -0.45 -1.13 115.31 118.70 1neg h LEU 12 Ca -0.20 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 1neg h LEU 12 Cb 1.06 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.71 1neg h LEU 12 CO 0.99 0.35 -0.16 -0.31 0.09 0.00 0.00 178.44 179.40 1neg s TYR 13 N -3.17 0.26 0.56 1.13 2.02 -1.25 -4.80 117.35 112.10 1neg s TYR 13 Ca 0.04 -0.62 -0.18 0.00 -0.37 0.00 0.00 57.07 55.94 1neg s TYR 13 Cb 0.08 0.14 -0.05 0.00 -0.40 0.00 0.00 41.96 41.73 1neg s TYR 13 CO 0.71 -0.87 1.07 -0.51 -1.57 0.00 0.00 175.55 174.37 1neg s ASP 14 N -2.96 5.89 -0.10 2.29 1.01 -1.26 -3.92 116.67 117.62 1neg s ASP 14 Ca 0.17 1.91 -0.04 0.00 0.71 0.00 0.00 52.55 55.30 1neg s ASP 14 Cb 0.01 -2.55 0.05 0.00 1.01 0.00 0.00 42.92 41.44 1neg s ASP 14 CO 0.03 -1.10 0.22 -0.47 0.21 0.00 0.00 175.17 174.06 1neg s TYR 15 N -2.21 -0.29 -0.26 4.23 5.04 0.11 -4.91 117.35 119.06 1neg s TYR 15 Ca 0.66 0.73 -0.10 0.00 -2.44 0.00 0.00 57.07 55.92 1neg s TYR 15 Cb -0.18 -0.03 -0.05 0.00 0.35 0.00 0.00 41.96 42.06 1neg s TYR 15 CO 0.31 -0.24 0.16 -1.14 -1.34 0.00 0.00 175.55 173.29 1neg s GLN 16 N 1.53 3.92 0.26 4.97 2.00 -1.26 -1.18 119.66 129.90 1neg s GLN 16 Ca -0.06 -0.34 -0.31 0.00 -2.00 0.00 0.00 55.36 52.65 1neg s GLN 16 Cb -0.11 -3.56 -0.13 0.00 0.80 0.00 0.00 33.01 30.01 1neg s GLN 16 CO -0.08 -0.11 1.38 -0.85 -0.50 0.00 0.00 175.29 175.13 1neg n GLU 17 N 4.81 2.04 0.00 1.67 0.28 -1.25 -4.89 120.64 123.30 1neg n GLU 17 Ca -0.15 0.72 0.11 0.00 -0.16 0.00 0.00 57.16 57.69 1neg n GLU 17 Cb 0.52 -2.36 -0.01 0.00 1.43 0.00 0.00 31.44 31.01 1neg n GLU 17 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1neg n LYS 18 N 1.78 0.81 -3.57 3.44 5.02 -1.26 -4.99 118.16 119.39 1neg n LYS 18 Ca 0.10 -0.66 -0.08 0.00 -2.02 0.00 0.00 58.31 55.66 1neg n LYS 18 Cb 0.32 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.83 1neg n LYS 18 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1neg s SER 19 N -2.65 -0.34 0.64 4.39 1.04 -1.26 -5.04 113.70 110.48 1neg s SER 19 Ca 0.15 -0.14 0.32 0.00 0.48 0.00 0.00 55.95 56.77 1neg s SER 19 Cb 0.18 0.46 1.76 0.00 0.10 0.00 0.00 66.02 68.52 1neg s SER 19 CO 0.66 -0.79 1.98 -0.65 0.98 0.00 0.00 173.24 175.42 1neg h PRO 20 N 2.00 0.00 -0.00 4.02 0.11 -2.02 0.40 132.00 136.51 1neg h PRO 20 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1neg h PRO 20 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1neg h PRO 20 CO 0.30 0.00 -0.16 2.89 -0.21 0.00 0.00 178.00 180.82 1neg n ARG 21 N -2.87 0.33 -3.49 1.05 1.85 -1.26 -4.87 116.66 107.40 1neg n ARG 21 Ca -0.02 -0.11 -0.20 0.00 -1.00 0.00 0.00 57.85 56.52 1neg n ARG 21 Cb 0.30 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.19 1neg n ARG 21 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1neg s GLU 22 N -2.74 2.79 0.15 2.89 2.02 0.13 -1.29 118.70 122.65 1neg s GLU 22 Ca 0.21 -1.28 0.06 0.00 0.02 0.00 0.00 54.97 53.98 1neg s GLU 22 Cb 0.19 -2.60 -0.04 0.00 0.10 0.00 0.00 34.13 31.78 1neg s GLU 22 CO 0.54 -0.07 -0.13 0.14 0.02 0.00 0.00 175.26 175.77 1neg s VAL 23 N -2.33 1.38 -0.01 2.63 -7.23 -1.12 -4.66 120.40 109.06 1neg s VAL 23 Ca 0.47 -1.97 -0.06 0.00 -1.81 0.00 0.00 61.98 58.61 1neg s VAL 23 Cb -0.07 -1.77 -0.05 0.00 0.56 0.00 0.00 36.38 35.05 1neg s VAL 23 CO 0.29 -0.58 0.25 -0.89 -0.31 0.00 0.00 175.10 173.86 1neg s THR 24 N -2.78 5.33 0.03 5.32 2.01 -1.26 -3.91 115.64 120.38 1neg s THR 24 Ca 0.15 0.16 -0.06 0.00 0.31 0.00 0.00 61.69 62.25 1neg s THR 24 Cb -0.01 -3.55 -0.01 0.00 0.01 0.00 0.00 72.50 68.94 1neg s THR 24 CO 0.03 0.40 0.12 0.00 -0.69 0.00 0.00 174.62 174.48 1neg s MET 25 N -1.67 0.58 0.03 4.92 0.23 -0.32 -4.96 119.30 118.11 1neg s MET 25 Ca 0.26 -0.65 0.02 0.00 -1.03 0.00 0.00 55.69 54.29 1neg s MET 25 Cb -0.13 0.23 -0.04 0.00 -1.53 0.00 0.00 34.83 33.36 1neg s MET 25 CO 0.15 -0.15 0.03 0.15 -2.03 0.00 0.00 175.02 173.17 1neg s LYS 26 N -2.30 2.81 0.25 3.16 1.02 -1.26 -0.71 119.74 122.69 1neg s LYS 26 Ca -0.07 -0.65 -0.31 0.00 0.02 0.00 0.00 55.97 54.96 1neg s LYS 26 Cb -0.03 -2.69 -0.14 0.00 -0.52 0.00 0.00 37.83 34.45 1neg s LYS 26 CO -0.03 0.60 1.25 1.17 -0.92 0.00 0.00 175.35 177.42 1neg n LYS 27 N 1.00 1.69 -0.22 1.68 4.81 -1.25 -0.95 118.16 124.92 1neg n LYS 27 Ca -0.12 0.60 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 1neg n LYS 27 Cb 0.52 -2.15 0.00 0.00 0.02 0.00 0.00 35.03 33.42 1neg n LYS 27 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1neg n GLY 28 N 1.76 1.13 3.77 3.14 0.00 -0.43 -4.95 105.19 109.61 1neg n GLY 28 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1neg n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1neg s ASP 29 N -2.98 6.48 -0.36 1.61 1.01 -0.13 -4.76 116.67 117.54 1neg s ASP 29 Ca 0.00 2.32 -0.08 0.00 0.71 0.00 0.00 52.55 55.50 1neg s ASP 29 Cb 0.00 -2.61 0.04 0.00 1.01 0.00 0.00 42.92 41.36 1neg s ASP 29 CO 0.00 -0.70 0.16 -0.63 0.21 0.00 0.00 175.17 174.20 1neg s ILE 30 N -1.45 4.07 0.13 0.77 -1.09 -1.26 -1.14 121.20 121.23 1neg s ILE 30 Ca 0.58 -1.09 0.05 0.00 -2.23 0.00 0.00 60.65 57.96 1neg s ILE 30 Cb -0.30 -3.32 -0.04 0.00 -1.58 0.00 0.00 42.46 37.22 1neg s ILE 30 CO 0.37 -0.24 0.06 -0.76 -1.23 0.00 0.00 174.94 173.14 1neg s LEU 31 N 1.45 3.59 -0.15 2.97 1.02 0.65 -4.92 118.68 123.28 1neg s LEU 31 Ca 0.00 -0.19 -0.29 0.00 0.02 0.00 0.00 54.13 53.67 1neg s LEU 31 Cb -0.20 -2.25 -0.01 0.00 0.02 0.00 0.00 46.19 43.75 1neg s LEU 31 CO 0.04 0.12 1.07 -0.89 0.02 0.00 0.00 176.35 176.71 1neg s THR 32 N -1.57 4.63 -0.38 5.49 2.01 -1.11 -1.49 115.64 123.22 1neg s THR 32 Ca 0.28 1.93 -0.27 0.00 0.31 0.00 0.00 61.69 63.94 1neg s THR 32 Cb -0.11 -4.24 0.02 0.00 0.01 0.00 0.00 72.50 68.18 1neg s THR 32 CO 0.21 -0.08 1.00 -0.22 -0.69 0.00 0.00 174.62 174.84 1neg s LEU 33 N 2.63 3.91 -0.12 4.42 2.96 0.43 -1.26 118.68 131.65 1neg s LEU 33 Ca 0.48 0.63 0.00 0.00 -0.22 0.00 0.00 54.13 55.03 1neg s LEU 33 Cb -0.18 -3.38 -0.24 0.00 0.50 0.00 0.00 46.19 42.88 1neg s LEU 33 CO 0.14 -0.95 0.38 0.18 -1.32 0.00 0.00 176.35 174.77 1neg n LEU 34 N 7.03 2.10 -3.66 -0.68 4.77 0.60 -4.50 117.00 122.66 1neg n LEU 34 Ca 0.09 0.22 -0.08 0.00 -0.03 0.00 0.00 56.01 56.22 1neg n LEU 34 Cb 0.48 -0.69 -0.09 0.00 -2.33 0.00 0.00 43.42 40.79 1neg n LEU 34 CO 0.61 0.73 0.13 0.21 -1.33 0.00 0.00 177.39 177.74 1neg s ASN 35 N -6.68 -0.60 -0.10 -1.43 3.84 -0.66 -4.96 114.94 104.35 1neg s ASN 35 Ca -0.18 1.15 0.14 0.00 0.21 0.00 0.00 52.86 54.18 1neg s ASN 35 Cb 0.07 1.35 0.25 0.00 -0.55 0.00 0.00 41.25 42.36 1neg s ASN 35 CO 0.77 -0.22 1.12 -1.54 -2.79 0.00 0.00 177.10 174.45 1neg n SER 36 N 4.88 1.62 0.23 -4.21 3.41 -1.26 -0.65 113.62 117.64 1neg n SER 36 Ca -0.16 -2.88 0.09 0.00 -0.26 0.00 0.00 58.87 55.67 1neg n SER 36 Cb 0.53 -0.38 0.53 0.00 -0.26 0.00 0.00 64.21 64.63 1neg n SER 36 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1neg h THR 37 N 2.21 0.73 -3.38 6.66 1.35 -1.95 -3.43 112.91 115.10 1neg h THR 37 Ca -0.01 -0.98 -0.55 0.00 -0.55 0.00 0.00 66.41 64.32 1neg h THR 37 Cb 1.15 1.61 -0.04 0.00 -1.73 0.00 0.00 68.15 69.14 1neg h THR 37 CO 0.01 0.23 -0.02 0.21 -0.25 0.00 0.00 175.52 175.70 1neg s ASN 38 N -6.34 6.94 0.42 5.36 3.84 -1.26 -5.00 114.94 118.90 1neg s ASN 38 Ca -0.01 1.21 0.23 0.00 0.21 0.00 0.00 52.86 54.50 1neg s ASN 38 Cb 0.12 -2.34 0.34 0.00 -0.55 0.00 0.00 41.25 38.82 1neg s ASN 38 CO 0.64 0.11 1.59 0.07 -2.79 0.00 0.00 177.10 176.72 1neg h LYS 39 N 3.70 0.00 0.00 0.43 2.10 -2.01 -3.38 116.57 117.41 1neg h LYS 39 Ca -0.49 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 57.82 1neg h LYS 39 Cb 1.20 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.46 1neg h LYS 39 CO 0.65 0.00 -2.30 -0.25 -2.00 0.00 0.00 179.45 175.55 1neg n ASP 40 N -3.05 1.87 -4.12 7.07 8.00 -1.26 -4.67 116.55 120.39 1neg n ASP 40 Ca 0.04 -0.10 -0.31 0.00 0.71 0.00 0.00 54.79 55.13 1neg n ASP 40 Cb 0.53 -0.10 -0.17 0.00 -0.02 0.00 0.00 41.12 41.36 1neg n ASP 40 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1neg s TRP 41 N -2.46 2.43 -0.01 1.24 0.52 -1.26 0.44 118.94 119.84 1neg s TRP 41 Ca -0.27 -1.24 0.02 0.00 0.02 0.00 0.00 56.10 54.64 1neg s TRP 41 Cb 0.07 -1.69 -0.03 0.00 -1.15 0.00 0.00 33.47 30.67 1neg s TRP 41 CO 0.58 -0.59 -0.04 -1.58 0.02 0.00 0.00 176.95 175.33 1neg s TRP 42 N 0.96 2.97 -0.18 -1.98 0.51 0.05 -4.43 118.94 116.84 1neg s TRP 42 Ca -0.05 0.02 -0.16 0.00 -2.12 0.00 0.00 56.10 53.79 1neg s TRP 42 Cb -0.15 -1.65 -0.04 0.00 -0.81 0.00 0.00 33.47 30.82 1neg s TRP 42 CO -0.03 0.41 0.38 0.21 -0.51 0.00 0.00 176.95 177.41 1neg s LYS 43 N -1.40 4.22 0.25 4.98 2.20 0.17 -0.96 119.74 129.20 1neg s LYS 43 Ca 0.17 0.21 0.02 0.00 -0.36 0.00 0.00 55.97 56.02 1neg s LYS 43 Cb -0.11 -3.49 -0.05 0.00 -1.51 0.00 0.00 37.83 32.66 1neg s LYS 43 CO 0.08 0.06 0.06 0.14 -0.36 0.00 0.00 175.35 175.33 1neg s VAL 44 N 0.99 0.71 -0.16 4.02 -7.23 -0.22 -0.29 120.40 118.22 1neg s VAL 44 Ca 0.19 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.37 1neg s VAL 44 Cb -0.14 -2.53 0.02 0.00 0.56 0.00 0.00 36.38 34.29 1neg s VAL 44 CO 0.07 -0.13 -0.17 -0.70 -0.31 0.00 0.00 175.10 173.87 1neg s GLU 45 N -3.98 2.58 -0.12 4.82 2.12 -0.39 -2.02 118.70 121.72 1neg s GLU 45 Ca 0.34 -0.67 0.01 0.00 0.36 0.00 0.00 54.97 55.01 1neg s GLU 45 Cb 0.07 -2.27 0.02 0.00 0.26 0.00 0.00 34.13 32.21 1neg s GLU 45 CO 0.12 -0.20 -0.14 0.08 -0.54 0.00 0.00 175.26 174.58 1neg s VAL 46 N 1.33 1.44 -0.44 3.70 1.01 0.19 -2.73 120.40 124.89 1neg s VAL 46 Ca 0.03 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 1neg s VAL 46 Cb -0.13 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 34.91 1neg s VAL 46 CO -0.10 0.43 0.30 -0.46 0.00 0.00 0.00 175.10 175.27 1neg n ASN 47 N 4.47 -2.22 -0.84 3.32 6.94 -1.26 -0.21 115.26 125.47 1neg n ASN 47 Ca -0.18 -0.51 -0.11 0.00 -0.02 0.00 0.00 54.58 53.76 1neg n ASN 47 Cb 0.51 -0.76 -0.05 0.00 -2.36 0.00 0.00 39.78 37.12 1neg n ASN 47 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1neg n ASP 48 N -0.90 -4.61 -4.03 0.53 8.00 -1.26 -4.99 116.55 109.29 1neg n ASP 48 Ca -0.13 0.27 -0.21 0.00 0.71 0.00 0.00 54.79 55.43 1neg n ASP 48 Cb 0.32 -3.08 -0.15 0.00 -0.02 0.00 0.00 41.12 38.19 1neg n ASP 48 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1neg s ARG 49 N -2.81 1.07 0.16 -1.24 0.52 0.71 -5.15 118.95 112.22 1neg s ARG 49 Ca 0.00 -0.36 0.11 0.00 -0.52 0.00 0.00 55.73 54.96 1neg s ARG 49 Cb 0.00 -0.99 -0.04 0.00 0.52 0.00 0.00 34.95 34.44 1neg s ARG 49 CO 0.00 0.15 -0.24 -0.65 0.02 0.00 0.00 175.30 174.58 1neg s GLN 50 N 0.11 1.52 0.00 3.54 -0.21 -1.26 0.54 119.66 123.89 1neg s GLN 50 Ca -0.02 -1.42 0.00 0.00 0.02 0.00 0.00 55.36 53.94 1neg s GLN 50 Cb -0.08 -1.90 0.00 0.00 1.00 0.00 0.00 33.01 32.02 1neg s GLN 50 CO 0.01 0.43 0.00 0.41 -2.12 0.00 0.00 175.29 174.01 1neg n GLY 51 N 0.54 -0.96 3.92 3.09 0.00 -0.86 -4.72 105.19 106.21 1neg n GLY 51 Ca -0.15 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.41 1neg n GLY 51 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1neg s PHE 52 N -2.00 3.49 0.05 1.61 0.40 -0.41 -1.06 117.98 120.06 1neg s PHE 52 Ca 0.00 0.35 -0.03 0.00 -0.60 0.00 0.00 56.93 56.65 1neg s PHE 52 Cb 0.00 -1.85 -0.03 0.00 0.51 0.00 0.00 43.02 41.65 1neg s PHE 52 CO 0.00 0.46 0.02 0.14 0.70 0.00 0.00 175.22 176.53 1neg s VAL 53 N -1.72 0.18 0.29 -0.44 -7.23 -0.14 -2.80 120.40 108.55 1neg s VAL 53 Ca 0.38 -1.49 -0.29 0.00 -1.81 0.00 0.00 61.98 58.77 1neg s VAL 53 Cb -0.12 -1.22 -0.10 0.00 0.56 0.00 0.00 36.38 35.50 1neg s VAL 53 CO 0.28 -0.82 1.41 -2.84 -0.31 0.00 0.00 175.10 172.82 1neg s PRO 54 N -3.36 4.26 0.52 4.82 0.02 -1.26 -0.77 135.00 139.23 1neg s PRO 54 Ca 0.02 2.33 0.23 0.00 0.02 0.00 0.00 61.00 63.60 1neg s PRO 54 Cb 0.04 -3.07 1.42 0.00 0.02 0.00 0.00 34.50 32.90 1neg s PRO 54 CO -0.08 -0.38 2.11 0.00 -0.33 0.00 0.00 177.00 178.33 1neg h ALA 55 N 4.27 1.55 0.00 -1.55 0.00 -0.29 -2.31 119.26 120.93 1neg h ALA 55 Ca -0.48 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 1neg h ALA 55 Cb 1.22 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1neg h ALA 55 CO 0.72 0.11 -0.15 0.00 0.00 0.00 0.00 179.25 179.93 1neg h ALA 56 N 1.91 1.38 -0.01 0.00 0.00 -1.88 -3.00 119.26 117.67 1neg h ALA 56 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1neg h ALA 56 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1neg h ALA 56 CO 0.01 0.19 -0.13 0.66 0.00 0.00 0.00 179.25 179.98 1neg n TYR 57 N -3.82 0.00 -4.17 0.00 4.02 -0.87 -4.92 117.16 107.40 1neg n TYR 57 Ca -0.02 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.76 1neg n TYR 57 Cb 0.25 -0.13 -0.10 0.00 -0.02 0.00 0.00 39.34 39.34 1neg n TYR 57 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1neg s VAL 58 N -2.39 0.72 -0.06 -0.72 -7.23 -1.14 0.36 120.40 109.94 1neg s VAL 58 Ca 0.30 -1.90 0.04 0.00 -1.81 0.00 0.00 61.98 58.61 1neg s VAL 58 Cb 0.20 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 35.50 1neg s VAL 58 CO 0.46 -0.84 -0.17 -0.75 -0.31 0.00 0.00 175.10 173.49 1neg s LYS 59 N -3.72 1.92 0.35 4.82 2.36 -0.58 -4.90 119.74 119.99 1neg s LYS 59 Ca 0.11 -0.60 -0.27 0.00 -2.55 0.00 0.00 55.97 52.66 1neg s LYS 59 Cb 0.04 -1.61 -0.09 0.00 -1.05 0.00 0.00 37.83 35.12 1neg s LYS 59 CO -0.04 0.19 1.13 0.15 1.55 0.00 0.00 175.35 178.33 1neg s LYS 60 N 0.21 4.33 -0.70 4.03 1.02 -1.26 -0.79 119.74 126.59 1neg s LYS 60 Ca -0.08 1.79 -0.11 0.00 0.02 0.00 0.00 55.97 57.60 1neg s LYS 60 Cb -0.13 -2.88 0.18 0.00 -0.52 0.00 0.00 37.83 34.48 1neg s LYS 60 CO 0.03 -0.07 0.60 -0.51 -0.92 0.00 0.00 175.35 174.48 1neg s LEU 61 N -2.06 6.16 0.27 3.17 1.43 0.10 -4.90 118.68 122.85 1neg s LEU 61 Ca 0.52 -2.53 -0.30 0.00 -1.03 0.00 0.00 54.13 50.78 1neg s LEU 61 Cb -0.30 -2.09 -0.13 0.00 0.03 0.00 0.00 46.19 43.70 1neg s LEU 61 CO 0.39 -0.57 1.40 0.00 0.23 0.00 0.00 176.35 177.79 1neg n ALA 62 N 4.11 1.31 0.08 4.21 0.00 -1.26 -4.54 120.51 124.41 1neg n ALA 62 Ca 0.06 0.39 0.04 0.00 0.00 0.00 0.00 53.44 53.93 1neg n ALA 62 Cb 0.43 -2.29 0.44 0.00 0.00 0.00 0.00 19.45 18.03 1neg n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1neg h ALA 63 N 3.84 1.66 0.00 0.00 0.00 -1.96 -2.13 119.26 120.67 1neg h ALA 63 Ca -0.45 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1neg h ALA 63 Cb 1.27 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1neg h ALA 63 CO 0.73 0.27 0.00 0.00 0.00 0.00 0.00 179.25 180.24 1neg n ALA 64 N -2.49 1.74 -2.45 0.00 0.00 -1.26 -4.79 120.51 111.26 1neg n ALA 64 Ca 0.01 -0.06 -0.27 0.00 0.00 0.00 0.00 53.44 53.12 1neg n ALA 64 Cb 0.15 -1.24 -0.13 0.00 0.00 0.00 0.00 19.45 18.23 1neg n ALA 64 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1neg s TRP 65 N -2.83 2.07 -0.24 0.00 0.52 -0.80 -5.11 118.94 112.54 1neg s TRP 65 Ca 0.10 -0.40 -0.18 0.00 0.02 0.00 0.00 56.10 55.64 1neg s TRP 65 Cb 0.10 -1.15 -0.03 0.00 -1.15 0.00 0.00 33.47 31.24 1neg s TRP 65 CO 0.25 0.24 0.50 0.45 0.02 0.00 0.00 176.95 178.41 1neg s SER 66 N -1.81 6.46 -0.21 2.95 0.15 -1.26 -4.81 113.70 115.16 1neg s SER 66 Ca 0.10 0.55 -0.14 0.00 0.70 0.00 0.00 55.95 57.16 1neg s SER 66 Cb -0.10 -2.28 -0.04 0.00 -1.71 0.00 0.00 66.02 61.89 1neg s SER 66 CO 0.04 -0.25 0.31 -1.00 1.20 0.00 0.00 173.24 173.55 1neg s HIS 67 N 2.08 3.37 1.04 3.44 0.09 -1.26 -5.08 115.29 118.98 1neg s HIS 67 Ca 0.21 0.50 -0.12 0.00 -0.00 0.00 0.00 55.06 55.66 1neg s HIS 67 Cb -0.16 -2.42 0.22 0.00 -0.00 0.00 0.00 32.58 30.22 1neg s HIS 67 CO 0.09 0.05 1.07 -2.14 -0.00 0.00 0.00 174.74 173.82 1neg s PRO 68 N 1.11 0.04 0.12 8.40 0.02 -1.26 -4.92 135.00 138.50 1neg s PRO 68 Ca 0.15 1.02 -0.30 0.00 0.02 0.00 0.00 61.00 61.89 1neg s PRO 68 Cb -0.14 -1.65 -0.07 0.00 0.02 0.00 0.00 34.50 32.66 1neg s PRO 68 CO 0.06 -3.13 1.23 -1.14 -0.33 0.00 0.00 177.00 173.69 1neg s GLN 69 N -4.62 4.44 0.00 5.54 0.74 -1.26 -5.27 119.66 119.23 1neg s GLN 69 Ca 0.67 1.86 0.32 0.00 0.05 0.00 0.00 55.36 58.26 1neg s GLN 69 Cb -0.23 -3.29 1.90 0.00 1.10 0.00 0.00 33.01 32.49 1neg s GLN 69 CO 0.61 -0.22 2.22 0.34 -0.55 0.00 0.00 175.29 177.69