#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1spr n GLU 3 N 0.00 0.00 0.30 0.00 4.07 -1.26 -4.29 120.64 119.46 1spr n GLU 3 Ca 0.00 0.00 0.16 0.00 -0.06 0.00 0.00 57.16 57.26 1spr n GLU 3 Cb 0.00 0.00 0.94 0.00 -0.06 0.00 0.00 31.44 32.32 1spr n GLU 3 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1spr h GLU 4 N 0.00 0.00 0.00 5.31 5.08 -2.03 1.00 114.58 123.94 1spr h GLU 4 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1spr h GLU 4 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1spr h GLU 4 CO 0.00 0.00 -0.23 -2.67 -1.00 0.00 0.00 179.01 175.11 1spr n TRP 5 N -3.80 0.05 -3.08 4.33 4.27 -1.26 -4.78 117.44 113.17 1spr n TRP 5 Ca -0.03 0.01 -0.44 0.00 -3.89 0.00 0.00 57.50 53.16 1spr n TRP 5 Cb 0.09 -0.41 -0.05 0.00 -1.36 0.00 0.00 31.31 29.57 1spr n TRP 5 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 1spr s TYR 6 N -3.01 2.98 -2.04 -2.67 5.04 0.34 -0.79 117.35 117.20 1spr s TYR 6 Ca 0.12 -0.52 0.12 0.00 -2.44 0.00 0.00 57.07 54.35 1spr s TYR 6 Cb 0.18 -3.74 0.38 0.00 0.35 0.00 0.00 41.96 39.13 1spr s TYR 6 CO 0.61 -1.16 1.31 1.19 -1.34 0.00 0.00 175.55 176.16 1spr n PHE 7 N 6.49 0.43 -4.94 4.97 3.01 0.19 -4.97 117.46 122.64 1spr n PHE 7 Ca -0.06 -0.22 0.00 0.00 1.01 0.00 0.00 57.45 58.19 1spr n PHE 7 Cb 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.92 1spr n PHE 7 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1spr n GLY 8 N 1.08 1.34 3.34 1.37 0.00 -1.25 -4.36 105.19 106.70 1spr n GLY 8 Ca 0.13 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.17 1spr n GLY 8 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1spr s LYS 9 N 0.00 2.74 0.34 1.61 2.20 -1.26 -1.99 119.74 123.38 1spr s LYS 9 Ca 0.00 -1.14 0.05 0.00 -0.36 0.00 0.00 55.97 54.52 1spr s LYS 9 Cb 0.00 -3.66 -0.07 0.00 -1.51 0.00 0.00 37.83 32.59 1spr s LYS 9 CO 0.00 -0.71 0.02 0.96 -0.36 0.00 0.00 175.35 175.26 1spr s ILE 10 N 1.50 1.53 0.80 5.43 -4.36 -1.26 -5.02 121.20 119.82 1spr s ILE 10 Ca 0.01 -2.03 -0.12 0.00 -0.26 0.00 0.00 60.65 58.26 1spr s ILE 10 Cb -0.20 -2.79 0.07 0.00 1.25 0.00 0.00 42.46 40.79 1spr s ILE 10 CO 0.05 -0.06 1.11 -0.89 0.24 0.00 0.00 174.94 175.39 1spr s THR 11 N -3.06 2.97 0.11 8.37 2.01 -1.26 -4.92 115.64 119.86 1spr s THR 11 Ca 0.35 0.31 -0.23 0.00 0.31 0.00 0.00 61.69 62.43 1spr s THR 11 Cb 0.08 -3.11 -0.09 0.00 0.01 0.00 0.00 72.50 69.39 1spr s THR 11 CO 0.16 -0.41 1.70 -0.09 -0.69 0.00 0.00 174.62 175.28 1spr h ARG 12 N -1.06 -0.16 -0.68 4.92 2.43 -1.99 -2.51 114.38 115.32 1spr h ARG 12 Ca -0.47 0.01 0.13 0.00 -0.81 0.00 0.00 59.98 58.84 1spr h ARG 12 Cb 1.28 0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 30.77 1spr h ARG 12 CO 0.61 -0.11 0.21 -0.09 -1.51 0.00 0.00 179.97 179.08 1spr h ARG 13 N -0.17 0.34 0.00 0.20 2.43 -2.00 0.66 114.38 115.84 1spr h ARG 13 Ca 0.04 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1spr h ARG 13 Cb 0.22 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1spr h ARG 13 CO -0.11 0.22 0.00 1.49 -1.51 0.00 0.00 179.97 180.07 1spr h GLU 14 N 0.35 0.00 -0.08 0.20 4.57 -1.91 -2.90 114.58 114.81 1spr h GLU 14 Ca 0.37 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.46 1spr h GLU 14 Cb 0.56 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 1spr h GLU 14 CO -0.41 0.00 -0.30 0.66 -1.18 0.00 0.00 179.01 177.78 1spr h SER 15 N 0.00 0.40 -0.70 1.04 4.64 -0.44 -2.46 113.55 116.03 1spr h SER 15 Ca 0.00 -0.63 0.09 0.00 -0.47 0.00 0.00 61.79 60.78 1spr h SER 15 Cb 0.86 -0.12 -0.07 0.00 -0.31 0.00 0.00 62.40 62.77 1spr h SER 15 CO 0.00 0.97 0.34 -0.33 -0.87 0.00 0.00 176.83 176.94 1spr h GLU 16 N -0.14 0.57 -0.73 4.77 5.08 -1.37 -0.28 114.58 122.49 1spr h GLU 16 Ca -0.02 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1spr h GLU 16 Cb 0.94 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 1spr h GLU 16 CO 0.06 0.38 0.35 -0.09 -1.00 0.00 0.00 179.01 178.71 1spr h ARG 17 N 0.59 1.05 0.00 2.33 2.43 -1.51 -0.77 114.38 118.49 1spr h ARG 17 Ca 0.34 -0.15 -0.18 0.00 -0.81 0.00 0.00 59.98 59.18 1spr h ARG 17 Cb 0.36 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1spr h ARG 17 CO -0.27 0.82 -0.84 -0.07 -1.51 0.00 0.00 179.97 178.10 1spr h LEU 18 N 1.02 0.04 -0.64 3.80 3.38 -1.12 -3.23 115.31 118.56 1spr h LEU 18 Ca 0.25 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1spr h LEU 18 Cb 0.12 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1spr h LEU 18 CO -0.03 0.86 -0.10 -0.11 0.09 0.00 0.00 178.44 179.14 1spr n LEU 19 N -3.56 1.09 -1.11 1.67 7.94 -0.14 -3.14 117.00 119.75 1spr n LEU 19 Ca -0.01 -0.31 0.09 0.00 -1.11 0.00 0.00 56.01 54.67 1spr n LEU 19 Cb 0.80 -0.07 0.26 0.00 0.53 0.00 0.00 43.42 44.95 1spr n LEU 19 CO 0.45 0.19 0.73 -0.11 -1.11 0.00 0.00 177.39 177.54 1spr n LEU 20 N -0.34 3.69 -4.68 -1.96 7.94 -0.35 -4.78 117.00 116.51 1spr n LEU 20 Ca 0.16 -2.09 -0.45 0.00 -1.11 0.00 0.00 56.01 52.52 1spr n LEU 20 Cb 0.33 -0.41 -0.04 0.00 0.53 0.00 0.00 43.42 43.83 1spr n LEU 20 CO 0.21 0.86 1.41 -3.20 -1.11 0.00 0.00 177.39 175.56 1spr n ASN 21 N 1.09 3.60 0.23 1.96 2.85 -1.19 -4.84 115.26 118.97 1spr n ASN 21 Ca 0.20 1.00 0.15 0.00 -0.11 0.00 0.00 54.58 55.83 1spr n ASN 21 Cb 0.60 -1.46 0.81 0.00 1.24 0.00 0.00 39.78 40.97 1spr n ASN 21 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1spr h PRO 22 N 8.15 0.00 0.00 1.20 0.13 -1.93 -0.56 132.00 138.98 1spr h PRO 22 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1spr h PRO 22 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1spr h PRO 22 CO 0.93 0.00 -0.05 0.93 -0.23 0.00 0.00 178.00 179.59 1spr h GLU 23 N 0.00 0.00 -6.17 0.86 4.39 -1.98 -3.44 114.58 108.24 1spr h GLU 23 Ca 0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 1spr h GLU 23 Cb 0.02 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 1spr h GLU 23 CO 0.00 0.05 0.92 -0.80 -1.16 0.00 0.00 179.01 178.01 1spr s ASN 24 N -5.69 6.91 0.92 1.42 0.01 -0.22 -5.06 114.94 113.23 1spr s ASN 24 Ca -0.02 1.76 -0.12 0.00 -0.71 0.00 0.00 52.86 53.78 1spr s ASN 24 Cb 0.11 -2.54 0.14 0.00 0.41 0.00 0.00 41.25 39.38 1spr s ASN 24 CO 0.52 -0.78 1.10 -2.16 -1.51 0.00 0.00 177.10 174.28 1spr s PRO 25 N 3.52 1.07 0.72 -0.60 0.04 -1.26 -4.98 135.00 133.52 1spr s PRO 25 Ca 0.57 0.62 -0.16 0.00 0.04 0.00 0.00 61.00 62.07 1spr s PRO 25 Cb -0.23 -1.80 0.03 0.00 0.04 0.00 0.00 34.50 32.54 1spr s PRO 25 CO 0.17 -2.32 1.25 0.50 0.04 0.00 0.00 177.00 176.64 1spr s ARG 26 N -5.02 2.13 -0.56 4.56 3.52 -1.26 -2.77 118.95 119.55 1spr s ARG 26 Ca 0.64 1.92 0.00 0.00 -0.13 0.00 0.00 55.73 58.16 1spr s ARG 26 Cb -0.17 -1.81 0.00 0.00 -1.56 0.00 0.00 34.95 31.40 1spr s ARG 26 CO 0.56 -1.88 0.00 0.41 -0.81 0.00 0.00 175.30 173.58 1spr n GLY 27 N 0.70 0.70 3.76 8.12 0.00 0.27 -4.60 105.19 114.14 1spr n GLY 27 Ca 0.15 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 1spr n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1spr s THR 28 N -1.90 3.37 0.17 2.61 2.01 -1.11 -0.55 115.64 120.24 1spr s THR 28 Ca 0.00 1.37 -0.03 0.00 0.31 0.00 0.00 61.69 63.34 1spr s THR 28 Cb 0.00 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.61 1spr s THR 28 CO 0.00 0.32 0.15 0.72 -0.69 0.00 0.00 174.62 175.11 1spr s PHE 29 N -1.18 0.88 0.05 4.92 -0.71 0.48 -0.01 117.98 122.42 1spr s PHE 29 Ca 0.46 -1.19 -0.16 0.00 -1.04 0.00 0.00 56.93 54.99 1spr s PHE 29 Cb -0.33 -0.40 0.03 0.00 -1.21 0.00 0.00 43.02 41.11 1spr s PHE 29 CO 0.42 -0.63 0.37 -0.48 -1.34 0.00 0.00 175.22 173.56 1spr s LEU 30 N -3.08 0.59 -0.18 -1.99 0.05 0.08 -0.76 118.68 113.40 1spr s LEU 30 Ca 0.29 -0.12 -0.05 0.00 0.05 0.00 0.00 54.13 54.30 1spr s LEU 30 Cb 0.06 1.60 -0.03 0.00 -2.05 0.00 0.00 46.19 45.77 1spr s LEU 30 CO 0.06 -0.67 0.00 -0.69 -0.55 0.00 0.00 176.35 174.50 1spr s VAL 31 N -2.68 4.08 0.09 1.48 1.01 0.03 -0.02 120.40 124.40 1spr s VAL 31 Ca -0.04 -0.28 0.07 0.00 0.00 0.00 0.00 61.98 61.73 1spr s VAL 31 Cb -0.00 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 1spr s VAL 31 CO -0.04 0.45 -0.18 0.00 0.00 0.00 0.00 175.10 175.34 1spr s ARG 32 N 0.71 1.00 0.35 2.72 1.70 -0.33 0.56 118.95 125.67 1spr s ARG 32 Ca 0.00 -1.09 -0.26 0.00 -0.47 0.00 0.00 55.73 53.90 1spr s ARG 32 Cb -0.14 -1.12 -0.09 0.00 -0.57 0.00 0.00 34.95 33.03 1spr s ARG 32 CO 0.02 0.25 1.08 -2.00 -1.08 0.00 0.00 175.30 173.57 1spr s GLU 33 N -1.94 4.34 0.43 3.89 2.12 -0.84 -0.63 118.70 126.07 1spr s GLU 33 Ca 0.04 1.65 -0.23 0.00 0.36 0.00 0.00 54.97 56.79 1spr s GLU 33 Cb -0.09 -2.81 -0.11 0.00 0.26 0.00 0.00 34.13 31.38 1spr s GLU 33 CO 0.03 -0.02 0.80 0.43 -0.54 0.00 0.00 175.26 175.97 1spr n SER 34 N 0.44 0.28 0.00 -1.70 7.64 -0.04 -4.71 113.62 115.53 1spr n SER 34 Ca 0.03 0.97 0.00 0.00 1.01 0.00 0.00 58.87 60.87 1spr n SER 34 Cb 0.47 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 1spr n SER 34 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1spr n GLU 35 N 0.27 3.90 0.00 1.43 1.02 -1.26 -4.81 120.64 121.20 1spr n GLU 35 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1spr n GLU 35 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.81 1spr n GLU 35 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1spr n THR 36 N 0.00 0.00 -2.64 2.62 -1.04 -1.26 -1.87 114.28 110.09 1spr n THR 36 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 1spr n THR 36 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 1spr n THR 36 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1spr s THR 37 N -1.45 4.18 -1.36 12.58 2.01 -1.26 -4.88 115.64 125.46 1spr s THR 37 Ca 0.00 -1.38 -0.16 0.00 0.31 0.00 0.00 61.69 60.46 1spr s THR 37 Cb 0.00 -5.06 0.03 0.00 0.01 0.00 0.00 72.50 67.48 1spr s THR 37 CO 0.00 -1.89 2.10 0.29 -0.69 0.00 0.00 174.62 174.43 1spr n LYS 38 N 8.18 2.78 -2.11 4.92 4.01 -0.78 -4.69 118.16 130.46 1spr n LYS 38 Ca 0.37 -2.67 -0.33 0.00 -0.51 0.00 0.00 58.31 55.17 1spr n LYS 38 Cb 0.49 -3.31 0.03 0.00 -0.51 0.00 0.00 35.03 31.72 1spr n LYS 38 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1spr n GLY 39 N 4.43 5.81 5.48 0.72 0.00 -1.26 -5.03 105.19 115.34 1spr n GLY 39 Ca 0.51 -2.60 0.00 0.00 0.00 0.00 0.00 46.02 43.93 1spr n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1spr n ALA 40 N -0.56 0.00 -2.74 4.61 0.00 -1.26 -4.54 120.51 116.02 1spr n ALA 40 Ca 0.48 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.83 1spr n ALA 40 Cb 0.49 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.87 1spr n ALA 40 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1spr s TYR 41 N 0.00 0.27 -0.03 0.00 2.02 -1.22 -0.86 117.35 117.53 1spr s TYR 41 Ca 0.00 -0.65 0.04 0.00 -0.37 0.00 0.00 57.07 56.09 1spr s TYR 41 Cb 0.00 -0.00 -0.00 0.00 -0.40 0.00 0.00 41.96 41.55 1spr s TYR 41 CO 0.00 -0.70 -0.15 0.00 -1.57 0.00 0.00 175.55 173.14 1spr s LEU 43 N -0.03 4.28 -0.21 0.00 2.96 0.36 -1.18 118.68 124.85 1spr s LEU 43 Ca -0.01 0.05 -0.07 0.00 -0.22 0.00 0.00 54.13 53.88 1spr s LEU 43 Cb -0.09 -2.51 -0.03 0.00 0.50 0.00 0.00 46.19 44.06 1spr s LEU 43 CO 0.01 -0.37 0.05 -0.44 -1.32 0.00 0.00 176.35 174.28 1spr s SER 44 N 1.71 5.19 -0.02 3.68 0.01 0.98 -1.08 113.70 124.17 1spr s SER 44 Ca 0.17 -0.12 0.06 0.00 1.31 0.00 0.00 55.95 57.37 1spr s SER 44 Cb -0.16 -1.91 -0.01 0.00 0.21 0.00 0.00 66.02 64.15 1spr s SER 44 CO 0.12 0.06 -0.19 -0.69 0.41 0.00 0.00 173.24 172.94 1spr s VAL 45 N 1.06 1.54 -0.30 3.43 1.01 -0.24 -0.74 120.40 126.17 1spr s VAL 45 Ca 0.03 -0.83 -0.20 0.00 0.00 0.00 0.00 61.98 60.98 1spr s VAL 45 Cb -0.14 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 1spr s VAL 45 CO 0.03 0.44 0.63 -0.94 0.00 0.00 0.00 175.10 175.25 1spr s SER 46 N -0.42 6.51 0.61 3.32 1.04 0.99 -0.32 113.70 125.43 1spr s SER 46 Ca 0.07 0.47 0.07 0.00 0.48 0.00 0.00 55.95 57.03 1spr s SER 46 Cb -0.08 -2.33 0.09 0.00 0.10 0.00 0.00 66.02 63.80 1spr s SER 46 CO -0.00 -0.46 0.84 -0.62 0.98 0.00 0.00 173.24 173.97 1spr s ASP 47 N 1.62 4.92 -0.16 7.02 2.15 0.13 0.95 116.67 133.30 1spr s ASP 47 Ca 0.25 -0.69 -0.11 0.00 0.43 0.00 0.00 52.55 52.43 1spr s ASP 47 Cb -0.15 0.16 0.05 0.00 -0.30 0.00 0.00 42.92 42.68 1spr s ASP 47 CO 0.11 -1.46 0.39 0.12 -0.17 0.00 0.00 175.17 174.17 1spr s PHE 48 N -2.78 -0.50 0.20 -5.34 5.36 -1.25 -2.07 117.98 111.60 1spr s PHE 48 Ca 0.63 1.14 -0.09 0.00 -0.96 0.00 0.00 56.93 57.66 1spr s PHE 48 Cb -0.06 0.19 -0.01 0.00 -0.34 0.00 0.00 43.02 42.80 1spr s PHE 48 CO 0.40 -0.27 0.32 0.16 -1.46 0.00 0.00 175.22 174.37 1spr s ASP 49 N 0.77 0.02 0.55 6.13 -4.77 -0.56 -4.98 116.67 113.82 1spr s ASP 49 Ca -0.05 -1.00 0.24 0.00 -3.30 0.00 0.00 52.55 48.45 1spr s ASP 49 Cb -0.06 0.47 1.55 0.00 -1.09 0.00 0.00 42.92 43.80 1spr s ASP 49 CO -0.06 -0.97 2.18 -0.55 0.70 0.00 0.00 175.17 176.48 1spr h ASN 50 N 2.46 0.00 -3.18 2.11 -1.07 -2.02 -2.05 115.58 111.83 1spr h ASN 50 Ca -0.31 0.00 -0.58 0.00 0.07 0.00 0.00 56.30 55.49 1spr h ASN 50 Cb 1.24 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 37.45 1spr h ASN 50 CO 0.45 0.03 -0.28 0.00 0.07 0.00 0.00 177.43 177.69 1spr s ALA 51 N -4.72 3.76 0.00 4.14 0.00 -1.26 -4.66 121.76 119.02 1spr s ALA 51 Ca -0.05 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.41 1spr s ALA 51 Cb 0.16 -2.18 0.00 0.00 0.00 0.00 0.00 23.12 21.10 1spr s ALA 51 CO 0.60 0.64 0.00 1.63 0.00 0.00 0.00 175.76 178.63 1spr n LYS 52 N 0.20 0.00 0.00 0.00 5.02 -1.26 -4.89 118.16 117.23 1spr n LYS 52 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1spr n LYS 52 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.53 1spr n LYS 52 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1spr n GLY 53 N 0.00 0.98 3.66 0.72 0.00 -0.77 -4.73 105.19 105.04 1spr n GLY 53 Ca 0.00 -1.52 -0.43 0.00 0.00 0.00 0.00 46.02 44.08 1spr n GLY 53 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1spr s LEU 54 N 0.00 4.11 0.05 0.99 2.96 -1.26 -1.50 118.68 124.03 1spr s LEU 54 Ca 0.00 1.33 -0.02 0.00 -0.22 0.00 0.00 54.13 55.22 1spr s LEU 54 Cb 0.00 -3.48 -0.03 0.00 0.50 0.00 0.00 46.19 43.18 1spr s LEU 54 CO 0.00 -0.63 -0.00 0.54 -1.32 0.00 0.00 176.35 174.94 1spr s ASN 55 N 1.21 0.40 -0.16 3.68 2.20 -0.88 -4.99 114.94 116.40 1spr s ASN 55 Ca 0.43 -0.87 -0.06 0.00 -0.94 0.00 0.00 52.86 51.42 1spr s ASN 55 Cb -0.15 0.20 -0.04 0.00 -2.00 0.00 0.00 41.25 39.26 1spr s ASN 55 CO 0.07 -0.56 0.03 -0.69 -2.94 0.00 0.00 177.10 173.00 1spr s VAL 56 N -3.49 4.49 -0.20 3.54 1.01 -1.26 0.20 120.40 124.70 1spr s VAL 56 Ca 0.03 -0.15 -0.06 0.00 0.00 0.00 0.00 61.98 61.80 1spr s VAL 56 Cb 0.05 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 1spr s VAL 56 CO -0.08 0.50 0.04 -0.75 0.00 0.00 0.00 175.10 174.80 1spr s LYS 57 N 0.13 3.79 -0.10 2.72 2.47 0.57 -4.96 119.74 124.37 1spr s LYS 57 Ca 0.03 -0.43 0.01 0.00 -1.56 0.00 0.00 55.97 54.01 1spr s LYS 57 Cb -0.13 -3.17 -0.02 0.00 -1.46 0.00 0.00 37.83 33.05 1spr s LYS 57 CO 0.01 0.11 -0.11 -1.01 0.16 0.00 0.00 175.35 174.51 1spr s HIS 58 N 0.78 2.82 -0.08 4.03 3.76 -1.26 -1.08 115.29 124.26 1spr s HIS 58 Ca 0.02 -0.33 0.01 0.00 -0.15 0.00 0.00 55.06 54.61 1spr s HIS 58 Cb -0.14 -1.76 0.02 0.00 1.11 0.00 0.00 32.58 31.81 1spr s HIS 58 CO 0.02 0.03 -0.11 0.71 -0.85 0.00 0.00 174.74 174.55 1spr s TYR 59 N -0.20 1.48 -0.22 1.40 2.02 -0.24 -5.00 117.35 116.60 1spr s TYR 59 Ca 0.01 -0.63 -0.26 0.00 -0.37 0.00 0.00 57.07 55.82 1spr s TYR 59 Cb -0.13 -1.14 -0.00 0.00 -0.40 0.00 0.00 41.96 40.29 1spr s TYR 59 CO 0.03 -0.37 0.91 -1.59 -1.57 0.00 0.00 175.55 172.96 1spr s LYS 60 N 1.05 4.24 -0.67 -0.62 0.00 -1.26 -0.48 119.74 121.99 1spr s LYS 60 Ca -0.07 1.12 -0.22 0.00 0.00 0.00 0.00 55.97 56.80 1spr s LYS 60 Cb -0.15 -3.63 0.08 0.00 0.00 0.00 0.00 37.83 34.13 1spr s LYS 60 CO -0.01 -0.52 0.96 0.42 0.00 0.00 0.00 175.35 176.20 1spr s ILE 61 N 2.82 4.37 0.06 3.79 1.01 0.53 -4.63 121.20 129.15 1spr s ILE 61 Ca 0.39 -0.47 -0.30 0.00 0.00 0.00 0.00 60.65 60.27 1spr s ILE 61 Cb -0.15 -4.68 -0.05 0.00 0.01 0.00 0.00 42.46 37.59 1spr s ILE 61 CO 0.08 -1.45 0.98 -0.13 0.00 0.00 0.00 174.94 174.42 1spr s ARG 62 N 3.92 4.62 -0.06 2.79 0.52 -0.86 -3.40 118.95 126.49 1spr s ARG 62 Ca 0.22 1.45 -0.04 0.00 -0.52 0.00 0.00 55.73 56.85 1spr s ARG 62 Cb -0.16 -3.41 -0.04 0.00 0.52 0.00 0.00 34.95 31.86 1spr s ARG 62 CO 0.09 0.08 0.11 0.21 0.02 0.00 0.00 175.30 175.80 1spr s LYS 63 N 0.48 3.26 0.40 3.54 2.20 -1.26 -2.03 119.74 126.34 1spr s LYS 63 Ca 0.50 -0.31 0.01 0.00 -0.36 0.00 0.00 55.97 55.81 1spr s LYS 63 Cb -0.23 -3.02 -0.02 0.00 -1.51 0.00 0.00 37.83 33.06 1spr s LYS 63 CO 0.29 0.71 0.61 -0.51 -0.36 0.00 0.00 175.35 176.09 1spr s LEU 64 N -1.34 3.83 -0.03 5.43 2.01 -0.17 -4.99 118.68 123.42 1spr s LEU 64 Ca 0.19 0.35 -0.13 0.00 0.01 0.00 0.00 54.13 54.55 1spr s LEU 64 Cb -0.12 -3.23 -0.32 0.00 0.01 0.00 0.00 46.19 42.53 1spr s LEU 64 CO 0.09 -0.50 0.76 0.44 1.01 0.00 0.00 176.35 178.15 1spr h ASP 65 N 0.58 0.69 -2.39 2.29 3.32 -2.00 -3.41 116.42 115.50 1spr h ASP 65 Ca -0.48 -0.93 -0.66 0.00 0.02 0.00 0.00 57.03 54.98 1spr h ASP 65 Cb 1.24 -0.22 -0.38 0.00 0.22 0.00 0.00 39.33 40.18 1spr h ASP 65 CO 0.59 1.77 -0.20 -1.54 -1.72 0.00 0.00 179.24 178.14 1spr n SER 66 N -3.64 4.57 0.00 6.45 3.41 -1.26 -4.99 113.62 118.17 1spr n SER 66 Ca -0.23 -3.45 0.00 0.00 -0.26 0.00 0.00 58.87 54.93 1spr n SER 66 Cb 1.08 -0.84 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 1spr n SER 66 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1spr n GLY 67 N 0.92 -0.59 0.00 5.00 0.00 -1.26 -5.17 105.19 104.08 1spr n GLY 67 Ca 0.29 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1spr n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1spr n GLY 68 N 0.00 3.19 3.24 -0.02 0.00 -1.26 -4.69 105.19 105.66 1spr n GLY 68 Ca 0.00 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 1spr n GLY 68 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1spr s PHE 69 N 3.81 1.71 -0.02 1.61 0.08 0.21 -1.00 117.98 124.38 1spr s PHE 69 Ca 0.00 -0.39 -0.29 0.00 0.12 0.00 0.00 56.93 56.38 1spr s PHE 69 Cb 0.00 -1.00 0.10 0.00 -0.57 0.00 0.00 43.02 41.56 1spr s PHE 69 CO 0.00 0.11 0.88 1.52 -0.10 0.00 0.00 175.22 177.63 1spr s TYR 70 N -0.92 -0.37 -0.01 0.36 1.13 -0.86 0.16 117.35 116.84 1spr s TYR 70 Ca 0.06 0.32 -0.00 0.00 -1.41 0.00 0.00 57.07 56.04 1spr s TYR 70 Cb -0.09 0.52 -0.01 0.00 -1.10 0.00 0.00 41.96 41.28 1spr s TYR 70 CO 0.02 -0.53 -0.02 -0.89 -2.51 0.00 0.00 175.55 171.62 1spr n ILE 71 N -0.06 0.07 -3.07 -3.49 5.41 -1.26 -2.02 119.36 114.94 1spr n ILE 71 Ca -0.10 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.63 1spr n ILE 71 Cb 0.61 -1.30 0.00 0.00 -0.71 0.00 0.00 39.64 38.24 1spr n ILE 71 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1spr n THR 72 N -2.94 0.00 0.02 1.39 -2.24 -1.26 -4.97 114.28 104.28 1spr n THR 72 Ca -0.03 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.63 1spr n THR 72 Cb 0.52 -0.89 -0.14 0.00 -2.10 0.00 0.00 70.33 67.72 1spr n THR 72 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1spr h SER 73 N 0.00 0.18 -0.87 3.42 4.64 -1.98 -3.39 113.55 115.55 1spr h SER 73 Ca 0.00 -0.30 0.14 0.00 -0.47 0.00 0.00 61.79 61.16 1spr h SER 73 Cb 0.00 -0.06 -0.09 0.00 -0.31 0.00 0.00 62.40 61.94 1spr h SER 73 CO 0.00 1.26 0.48 0.03 -0.87 0.00 0.00 176.83 177.73 1spr h ARG 74 N 0.03 0.68 -3.40 4.77 3.08 -1.98 -3.44 114.38 114.13 1spr h ARG 74 Ca -0.25 -0.04 -0.20 0.00 0.07 0.00 0.00 59.98 59.56 1spr h ARG 74 Cb 1.98 -0.15 -0.27 0.00 0.08 0.00 0.00 29.97 31.60 1spr h ARG 74 CO 0.12 0.45 -0.57 0.95 -1.07 0.00 0.00 179.97 179.85 1spr s THR 75 N -5.97 -0.00 0.34 2.04 -4.23 -1.26 -5.15 115.64 101.40 1spr s THR 75 Ca -0.12 0.02 0.07 0.00 -1.18 0.00 0.00 61.69 60.48 1spr s THR 75 Cb 0.22 -0.19 -0.03 0.00 1.34 0.00 0.00 72.50 73.84 1spr s THR 75 CO 0.78 0.01 0.31 -1.10 -0.54 0.00 0.00 174.62 174.08 1spr s GLN 76 N 0.17 2.74 0.04 3.99 -0.21 -1.26 -4.54 119.66 120.59 1spr s GLN 76 Ca -0.01 -1.29 -0.00 0.00 0.02 0.00 0.00 55.36 54.08 1spr s GLN 76 Cb -0.02 -2.50 -0.03 0.00 1.00 0.00 0.00 33.01 31.47 1spr s GLN 76 CO -0.00 0.08 -0.03 -0.06 -2.12 0.00 0.00 175.29 173.15 1spr s PHE 77 N -2.31 0.40 -1.83 0.91 0.08 0.12 -4.88 117.98 110.48 1spr s PHE 77 Ca 0.42 -0.76 0.24 0.00 0.12 0.00 0.00 56.93 56.95 1spr s PHE 77 Cb -0.06 -0.29 0.33 0.00 -0.57 0.00 0.00 43.02 42.44 1spr s PHE 77 CO 0.27 -0.26 1.30 -1.13 -0.10 0.00 0.00 175.22 175.30 1spr n SER 78 N 0.95 1.49 -3.89 1.36 3.41 -1.26 -0.62 113.62 115.06 1spr n SER 78 Ca -0.20 -1.18 -0.09 0.00 -0.26 0.00 0.00 58.87 57.15 1spr n SER 78 Cb 0.58 0.35 -0.04 0.00 -0.26 0.00 0.00 64.21 64.83 1spr n SER 78 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1spr s SER 79 N -2.53 -0.06 0.06 4.04 1.04 -1.26 -4.88 113.70 110.10 1spr s SER 79 Ca 0.20 -0.91 -0.08 0.00 0.48 0.00 0.00 55.95 55.64 1spr s SER 79 Cb 0.18 0.63 -0.31 0.00 0.10 0.00 0.00 66.02 66.63 1spr s SER 79 CO 0.57 -1.21 1.09 -0.07 0.98 0.00 0.00 173.24 174.60 1spr h LEU 80 N 2.19 0.56 -1.52 2.42 3.38 -1.99 -3.06 115.31 117.28 1spr h LEU 80 Ca -0.25 -0.60 0.04 0.00 0.09 0.00 0.00 57.88 57.16 1spr h LEU 80 Cb 1.25 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1spr h LEU 80 CO 0.33 1.47 0.38 1.56 0.09 0.00 0.00 178.44 182.27 1spr h GLN 81 N 0.10 0.59 -0.00 1.13 7.50 -1.99 -1.58 115.11 120.86 1spr h GLN 81 Ca -0.18 -0.04 -0.26 0.00 0.50 0.00 0.00 58.65 58.68 1spr h GLN 81 Cb 2.04 -0.13 0.02 0.00 0.05 0.00 0.00 27.48 29.45 1spr h GLN 81 CO 0.23 0.39 -1.01 1.96 -1.50 0.00 0.00 178.83 178.89 1spr h GLN 82 N 0.61 0.64 0.10 1.46 4.20 -1.97 -2.33 115.11 117.82 1spr h GLN 82 Ca 0.24 -0.68 -0.00 0.00 0.06 0.00 0.00 58.65 58.26 1spr h GLN 82 Cb 0.18 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1spr h GLN 82 CO -0.07 1.28 -0.05 1.25 -0.67 0.00 0.00 178.83 180.57 1spr h LEU 83 N 0.36 -0.11 -0.33 1.46 6.46 -1.37 -1.76 115.31 120.02 1spr h LEU 83 Ca -0.12 -0.10 0.03 0.00 -0.12 0.00 0.00 57.88 57.58 1spr h LEU 83 Cb 1.66 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 41.59 1spr h LEU 83 CO 0.19 0.03 0.14 0.58 -0.62 0.00 0.00 178.44 178.77 1spr h VAL 84 N -0.24 0.95 -0.38 1.05 2.07 -1.40 -2.23 116.25 116.06 1spr h VAL 84 Ca -0.01 -0.10 0.05 0.00 0.82 0.00 0.00 66.70 67.45 1spr h VAL 84 Cb 0.20 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1spr h VAL 84 CO 0.02 0.06 0.26 0.00 0.02 0.00 0.00 177.57 177.93 1spr h ALA 85 N 1.19 1.96 0.16 1.67 0.00 -1.10 -0.67 119.26 122.46 1spr h ALA 85 Ca 0.14 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.72 1spr h ALA 85 Cb 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1spr h ALA 85 CO -0.12 -0.02 -1.58 -0.92 0.00 0.00 0.00 179.25 176.61 1spr h TYR 86 N 0.32 0.60 0.00 0.00 3.20 -1.23 -3.33 116.97 116.52 1spr h TYR 86 Ca 0.16 -0.44 0.00 0.00 3.14 0.00 0.00 58.73 61.60 1spr h TYR 86 Cb 0.25 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.50 1spr h TYR 86 CO -0.00 1.62 0.00 0.66 -1.64 0.00 0.00 178.16 178.80 1spr n TYR 87 N -3.75 0.76 0.17 -3.82 4.01 -0.85 -1.48 117.16 112.20 1spr n TYR 87 Ca -0.25 0.24 0.03 0.00 -0.16 0.00 0.00 57.90 57.77 1spr n TYR 87 Cb 0.99 -0.90 0.39 0.00 -0.31 0.00 0.00 39.34 39.52 1spr n TYR 87 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1spr h SER 88 N 0.00 0.10 0.00 7.72 0.02 -1.24 -2.23 113.55 117.92 1spr h SER 88 Ca 0.00 -0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 60.77 1spr h SER 88 Cb 0.59 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 1spr h SER 88 CO 0.00 0.35 -1.02 0.50 -1.14 0.00 0.00 176.83 175.52 1spr h LYS 89 N 0.09 0.00 -5.72 3.45 1.63 -1.51 -3.37 116.57 111.14 1spr h LYS 89 Ca 0.01 0.00 -0.67 0.00 -0.85 0.00 0.00 60.65 59.14 1spr h LYS 89 Cb 0.50 0.00 -0.27 0.00 -0.60 0.00 0.00 32.23 31.86 1spr h LYS 89 CO 0.04 0.67 -0.80 -1.01 -3.45 0.00 0.00 179.45 174.90 1spr s HIS 90 N -2.32 2.70 0.10 1.91 3.76 -0.55 -4.96 115.29 115.93 1spr s HIS 90 Ca -0.24 -0.55 -0.17 0.00 -0.15 0.00 0.00 55.06 53.94 1spr s HIS 90 Cb 0.05 -1.73 -0.06 0.00 1.11 0.00 0.00 32.58 31.94 1spr s HIS 90 CO 0.47 -0.12 1.54 0.00 -0.85 0.00 0.00 174.74 175.78 1spr h ALA 91 N 6.21 0.40 -6.45 -1.40 0.00 -1.86 -3.35 119.26 112.81 1spr h ALA 91 Ca -0.32 -0.23 -0.41 0.00 0.00 0.00 0.00 54.91 53.95 1spr h ALA 91 Cb 1.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1spr h ALA 91 CO 0.52 0.15 -0.94 -3.47 0.00 0.00 0.00 179.25 175.51 1spr n ASP 92 N -4.57 -4.00 0.00 0.00 2.03 -1.26 -0.45 116.55 108.29 1spr n ASP 92 Ca -0.03 -0.80 0.00 0.00 0.52 0.00 0.00 54.79 54.49 1spr n ASP 92 Cb 0.26 -1.32 0.00 0.00 -0.72 0.00 0.00 41.12 39.33 1spr n ASP 92 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1spr n GLY 93 N -1.40 2.84 3.77 0.27 0.00 -1.26 -4.93 105.19 104.48 1spr n GLY 93 Ca -0.27 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 1spr n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1spr s LEU 94 N 0.00 2.80 0.58 0.99 1.02 0.40 -4.93 118.68 119.54 1spr s LEU 94 Ca 0.00 1.62 0.32 0.00 0.02 0.00 0.00 54.13 56.09 1spr s LEU 94 Cb 0.00 -4.27 1.76 0.00 0.02 0.00 0.00 46.19 43.70 1spr s LEU 94 CO 0.00 -2.06 2.18 0.00 0.02 0.00 0.00 176.35 176.50 1spr s HIS 96 N -4.26 -0.25 0.84 0.00 5.65 -1.26 -5.05 115.29 110.95 1spr s HIS 96 Ca -0.04 0.37 -0.11 0.00 0.25 0.00 0.00 55.06 55.54 1spr s HIS 96 Cb 0.13 0.48 0.10 0.00 -1.18 0.00 0.00 32.58 32.11 1spr s HIS 96 CO 0.53 -0.27 1.13 -0.98 -0.65 0.00 0.00 174.74 174.50 1spr s ARG 97 N -1.51 1.63 0.01 2.88 1.70 -1.26 -4.78 118.95 117.63 1spr s ARG 97 Ca 0.03 1.40 -0.24 0.00 -0.47 0.00 0.00 55.73 56.46 1spr s ARG 97 Cb -0.01 -1.81 -0.05 0.00 -0.57 0.00 0.00 34.95 32.51 1spr s ARG 97 CO -0.03 -2.15 0.73 -0.51 -1.08 0.00 0.00 175.30 172.26 1spr s LEU 98 N -6.20 4.42 0.03 -1.89 1.43 -0.84 -4.37 118.68 111.26 1spr s LEU 98 Ca 0.65 1.35 0.00 0.00 -1.03 0.00 0.00 54.13 55.10 1spr s LEU 98 Cb -0.21 -3.16 0.00 0.00 0.03 0.00 0.00 46.19 42.86 1spr s LEU 98 CO 0.56 -0.00 0.00 0.35 0.23 0.00 0.00 176.35 177.49 1spr n THR 99 N 3.00 0.26 -5.06 5.49 -2.24 0.29 -4.37 114.28 111.65 1spr n THR 99 Ca -0.03 0.09 -0.29 0.00 -2.27 0.00 0.00 64.05 61.55 1spr n THR 99 Cb 0.51 -1.34 -0.15 0.00 -2.10 0.00 0.00 70.33 67.24 1spr n THR 99 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1spr s ASN 100 N -5.21 2.78 0.16 3.42 0.01 -1.20 -4.97 114.94 109.92 1spr s ASN 100 Ca 0.00 -0.46 -0.30 0.00 -0.71 0.00 0.00 52.86 51.39 1spr s ASN 100 Cb 0.00 -0.29 -0.07 0.00 0.41 0.00 0.00 41.25 41.30 1spr s ASN 100 CO 0.00 0.27 0.95 -0.69 -1.51 0.00 0.00 177.10 176.11 1spr s VAL 101 N -0.62 4.35 0.21 1.60 1.01 -1.26 -0.39 120.40 125.30 1spr s VAL 101 Ca 0.09 2.06 -0.32 0.00 0.00 0.00 0.00 61.98 63.81 1spr s VAL 101 Cb -0.09 -4.32 -0.13 0.00 0.00 0.00 0.00 36.38 31.84 1spr s VAL 101 CO -0.00 0.39 1.64 0.00 0.00 0.00 0.00 175.10 177.12 1spr s PRO 103 N 0.71 4.60 0.00 0.00 0.04 -1.26 -4.98 135.00 134.11 1spr s PRO 103 Ca 0.74 1.74 0.31 0.00 0.04 0.00 0.00 61.00 63.82 1spr s PRO 103 Cb -0.57 -3.26 1.64 0.00 0.04 0.00 0.00 34.50 32.36 1spr s PRO 103 CO 0.38 0.09 2.08 0.25 0.04 0.00 0.00 177.00 179.83