#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 -4.93 120.64 118.22 1spr n GLU 3 Ca 0.00 0.00 0.35 0.00 -0.06 0.00 0.00 57.16 57.45 1spr n GLU 3 Cb 0.00 0.00 0.68 0.00 -0.06 0.00 0.00 31.44 32.06 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 -0.32 5.31 5.08 -2.04 0.35 114.58 122.96 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 0.00 -2.67 -1.00 0.00 0.00 179.01 175.34 1spr n TRP 5 N -3.77 0.42 -3.71 4.33 4.27 -1.26 -4.82 117.44 112.90 1spr n TRP 5 Ca 0.26 -0.21 -0.37 0.00 -3.89 0.00 0.00 57.50 53.29 1spr n TRP 5 Cb 1.39 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 31.22 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 -1.58 3.13 -1.26 -2.67 5.04 0.11 -0.36 117.35 119.76 1spr s TYR 6 Ca 0.36 -0.50 0.16 0.00 -2.44 0.00 0.00 57.07 54.65 1spr s TYR 6 Cb 0.20 -2.29 -0.06 0.00 0.35 0.00 0.00 41.96 40.16 1spr s TYR 6 CO 0.29 -0.40 0.81 1.19 -1.34 0.00 0.00 175.55 176.09 1spr n PHE 7 N 4.95 0.00 0.00 4.97 3.01 0.03 -4.87 117.46 125.55 1spr n PHE 7 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.31 1spr n PHE 7 Cb 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 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 1.24 2.04 2.65 1.37 0.00 -1.25 -4.03 105.19 107.21 1spr n GLY 8 Ca 0.06 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 1spr n GLY 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1spr n LYS 9 N 13.03 3.22 -2.74 1.61 5.02 -1.26 -0.56 118.16 136.48 1spr n LYS 9 Ca 0.00 -3.20 -0.28 0.00 -2.02 0.00 0.00 58.31 52.81 1spr n LYS 9 Cb 0.00 -2.30 -0.01 0.00 -0.02 0.00 0.00 35.03 32.71 1spr n LYS 9 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1spr s ILE 10 N -3.32 4.91 0.57 -0.18 -4.36 -1.26 -4.98 121.20 112.58 1spr s ILE 10 Ca 0.53 0.21 -0.09 0.00 -0.26 0.00 0.00 60.65 61.03 1spr s ILE 10 Cb 0.35 -3.84 -0.04 0.00 1.25 0.00 0.00 42.46 40.18 1spr s ILE 10 CO -0.26 -0.77 0.95 0.42 0.24 0.00 0.00 174.94 175.53 1spr s THR 11 N -2.64 4.76 0.35 8.37 -4.23 -1.26 -4.66 115.64 116.34 1spr s THR 11 Ca 0.47 0.69 0.05 0.00 -1.18 0.00 0.00 61.69 61.72 1spr s THR 11 Cb -0.10 -3.86 0.29 0.00 1.34 0.00 0.00 72.50 70.16 1spr s THR 11 CO 0.42 -1.04 1.96 -0.09 -0.54 0.00 0.00 174.62 175.33 1spr h ARG 12 N -0.10 0.78 -0.03 3.99 2.43 -1.97 0.61 114.38 120.08 1spr h ARG 12 Ca -0.45 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 58.53 1spr h ARG 12 Cb 1.19 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 1spr h ARG 12 CO 0.62 0.51 -0.63 0.07 -1.51 0.00 0.00 179.97 179.03 1spr h ARG 13 N 0.80 0.13 -0.02 0.20 0.11 -1.99 -0.71 114.38 112.89 1spr h ARG 13 Ca 0.31 -0.09 -0.23 0.00 0.10 0.00 0.00 59.98 60.06 1spr h ARG 13 Cb 0.19 0.02 0.02 0.00 1.11 0.00 0.00 29.97 31.30 1spr h ARG 13 CO -0.10 0.71 -0.88 1.49 0.10 0.00 0.00 179.97 181.29 1spr h GLU 14 N 0.09 0.64 -0.47 0.08 4.57 -1.84 -2.27 114.58 115.38 1spr h GLU 14 Ca -0.01 -0.66 0.03 0.00 -1.18 0.00 0.00 59.36 57.54 1spr h GLU 14 Cb 1.13 0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 29.86 1spr h GLU 14 CO 0.09 1.26 0.27 0.66 -1.18 0.00 0.00 179.01 180.10 1spr h SER 15 N 0.28 0.42 -0.14 1.04 4.64 -0.75 -1.74 113.55 117.31 1spr h SER 15 Ca -0.10 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.22 1spr h SER 15 Cb 1.55 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.55 1spr h SER 15 CO 0.17 0.30 0.07 -0.33 -0.87 0.00 0.00 176.83 176.17 1spr h GLU 16 N 0.53 0.24 0.00 4.77 5.08 -1.14 -1.08 114.58 122.98 1spr h GLU 16 Ca 0.19 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.42 1spr h GLU 16 Cb 0.05 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1spr h GLU 16 CO -0.10 0.20 -0.56 -0.09 -1.00 0.00 0.00 179.01 177.46 1spr h ARG 17 N 0.24 0.00 0.01 2.33 2.43 -0.77 -1.19 114.38 117.43 1spr h ARG 17 Ca 0.06 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1spr h ARG 17 Cb 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1spr h ARG 17 CO -0.01 0.56 -0.04 -0.07 -1.51 0.00 0.00 179.97 178.90 1spr h LEU 18 N 0.00 0.02 -1.38 3.80 3.38 -0.80 -3.36 115.31 116.97 1spr h LEU 18 Ca -0.01 -0.96 -0.05 0.00 0.09 0.00 0.00 57.88 56.95 1spr h LEU 18 Cb 1.25 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1spr h LEU 18 CO 0.07 0.98 -0.17 -0.07 0.09 0.00 0.00 178.44 179.35 1spr h LEU 19 N -0.93 0.20 -0.28 1.67 4.07 -1.29 -2.84 115.31 115.91 1spr h LEU 19 Ca -0.01 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1spr h LEU 19 Cb 0.99 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.68 1spr h LEU 19 CO 0.01 0.38 0.00 0.18 -1.08 0.00 0.00 178.44 177.93 1spr n LEU 20 N -4.25 0.41 -4.67 1.67 4.32 -0.45 -4.80 117.00 109.23 1spr n LEU 20 Ca -0.01 -0.20 -0.42 0.00 -0.02 0.00 0.00 56.01 55.36 1spr n LEU 20 Cb 0.29 -0.05 -0.03 0.00 -1.62 0.00 0.00 43.42 42.01 1spr n LEU 20 CO 0.38 0.10 1.43 0.21 -1.22 0.00 0.00 177.39 178.29 1spr s ASN 21 N -1.13 6.56 0.00 -1.43 3.84 -1.07 -4.85 114.94 116.85 1spr s ASN 21 Ca 0.11 2.50 0.04 0.00 0.21 0.00 0.00 52.86 55.71 1spr s ASN 21 Cb 0.05 -2.55 0.18 0.00 -0.55 0.00 0.00 41.25 38.39 1spr s ASN 21 CO 0.08 -0.96 1.00 -0.81 -2.79 0.00 0.00 177.10 173.62 1spr n PRO 22 N 6.61 0.04 0.16 0.43 -0.04 -1.26 -0.86 135.00 140.08 1spr n PRO 22 Ca 0.18 0.30 0.12 0.00 -0.04 0.00 0.00 63.50 64.06 1spr n PRO 22 Cb 0.41 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.51 1spr n PRO 22 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1spr h GLU 23 N 0.00 0.00 -6.37 0.54 5.08 -1.95 -3.46 114.58 108.43 1spr h GLU 23 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 1spr h GLU 23 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1spr h GLU 23 CO 0.00 0.00 0.79 -0.80 -1.00 0.00 0.00 179.01 178.00 1spr s ASN 24 N -5.59 6.90 0.93 1.42 0.01 -0.04 -5.01 114.94 113.57 1spr s ASN 24 Ca 0.05 2.05 -0.11 0.00 -0.71 0.00 0.00 52.86 54.14 1spr s ASN 24 Cb 0.08 -2.56 0.15 0.00 0.41 0.00 0.00 41.25 39.33 1spr s ASN 24 CO 0.71 -0.68 1.11 -2.16 -1.51 0.00 0.00 177.10 174.57 1spr s PRO 25 N 2.29 0.93 0.46 -0.60 0.04 -1.26 -4.93 135.00 131.92 1spr s PRO 25 Ca 0.62 1.27 -0.24 0.00 0.04 0.00 0.00 61.00 62.69 1spr s PRO 25 Cb -0.30 -1.74 -0.07 0.00 0.04 0.00 0.00 34.50 32.43 1spr s PRO 25 CO 0.26 -2.60 1.28 0.50 0.04 0.00 0.00 177.00 176.48 1spr s ARG 26 N -4.70 3.69 0.00 4.56 3.52 -1.26 -2.23 118.95 122.52 1spr s ARG 26 Ca 0.66 2.08 0.00 0.00 -0.13 0.00 0.00 55.73 58.34 1spr s ARG 26 Cb -0.22 -2.53 0.00 0.00 -1.56 0.00 0.00 34.95 30.65 1spr s ARG 26 CO 0.59 -0.70 0.00 0.41 -0.81 0.00 0.00 175.30 174.78 1spr n GLY 27 N 0.62 0.74 3.77 8.12 0.00 0.05 -4.61 105.19 113.87 1spr n GLY 27 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.78 2.81 0.18 2.61 2.01 -0.95 -0.49 115.64 119.03 1spr s THR 28 Ca 0.00 0.81 -0.09 0.00 0.31 0.00 0.00 61.69 62.71 1spr s THR 28 Cb 0.00 -3.51 -0.01 0.00 0.01 0.00 0.00 72.50 68.99 1spr s THR 28 CO 0.00 0.19 0.31 0.72 -0.69 0.00 0.00 174.62 175.15 1spr s PHE 29 N -1.15 0.42 -0.05 4.92 -0.71 -0.30 -0.53 117.98 120.57 1spr s PHE 29 Ca 0.49 -0.77 -0.17 0.00 -1.04 0.00 0.00 56.93 55.44 1spr s PHE 29 Cb -0.39 -0.03 0.03 0.00 -1.21 0.00 0.00 43.02 41.42 1spr s PHE 29 CO 0.51 -0.76 0.38 -0.48 -1.34 0.00 0.00 175.22 173.53 1spr s LEU 30 N -2.98 0.55 -0.11 -1.99 0.05 -0.56 -0.64 118.68 112.99 1spr s LEU 30 Ca 0.19 0.36 -0.06 0.00 0.05 0.00 0.00 54.13 54.67 1spr s LEU 30 Cb 0.03 1.46 -0.04 0.00 -2.05 0.00 0.00 46.19 45.59 1spr s LEU 30 CO 0.02 -0.39 0.12 -0.69 -0.55 0.00 0.00 176.35 174.86 1spr s VAL 31 N -0.91 5.35 0.31 1.48 1.01 0.52 -1.10 120.40 127.06 1spr s VAL 31 Ca -0.10 0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 1spr s VAL 31 Cb -0.04 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 1spr s VAL 31 CO 0.04 0.62 0.42 0.00 0.00 0.00 0.00 175.10 176.18 1spr s ARG 32 N -1.01 1.77 0.36 2.72 1.70 -0.60 -0.79 118.95 123.10 1spr s ARG 32 Ca 0.15 -1.69 -0.11 0.00 -0.47 0.00 0.00 55.73 53.60 1spr s ARG 32 Cb -0.12 0.42 -0.07 0.00 -0.57 0.00 0.00 34.95 34.61 1spr s ARG 32 CO 0.04 -0.71 0.73 -1.21 -1.08 0.00 0.00 175.30 173.06 1spr s GLU 33 N -3.35 3.83 0.19 3.89 2.02 0.27 -1.19 118.70 124.37 1spr s GLU 33 Ca 0.31 0.48 -0.23 0.00 0.02 0.00 0.00 54.97 55.55 1spr s GLU 33 Cb 0.01 -2.44 -0.08 0.00 0.10 0.00 0.00 34.13 31.72 1spr s GLU 33 CO 0.18 0.06 0.75 0.45 0.02 0.00 0.00 175.26 176.72 1spr s SER 34 N -2.84 7.23 0.27 -0.19 0.15 -0.53 -4.63 113.70 113.17 1spr s SER 34 Ca 0.51 1.54 0.20 0.00 0.70 0.00 0.00 55.95 58.90 1spr s SER 34 Cb -0.10 -2.46 0.10 0.00 -1.71 0.00 0.00 66.02 61.84 1spr s SER 34 CO 0.26 0.14 1.28 -0.33 1.20 0.00 0.00 173.24 175.79 1spr h GLU 35 N 3.95 0.00 0.00 5.44 5.08 -1.90 -3.39 114.58 123.75 1spr h GLU 35 Ca -0.48 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.60 1spr h GLU 35 Cb 1.20 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.41 1spr h GLU 35 CO 0.65 0.17 -1.96 0.25 -1.00 0.00 0.00 179.01 177.12 1spr n THR 36 N -2.97 0.95 -3.15 1.13 -2.24 -1.26 -4.60 114.28 102.13 1spr n THR 36 Ca 0.00 -0.27 -0.44 0.00 -2.27 0.00 0.00 64.05 61.07 1spr n THR 36 Cb 0.64 -1.59 0.00 0.00 -2.10 0.00 0.00 70.33 67.28 1spr n THR 36 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1spr n THR 37 N -3.60 4.42 -2.27 4.28 -1.04 -1.26 -4.98 114.28 109.84 1spr n THR 37 Ca -0.33 -5.07 -0.42 0.00 -2.04 0.00 0.00 64.05 56.19 1spr n THR 37 Cb 0.76 -2.53 -0.03 0.00 -1.82 0.00 0.00 70.33 66.71 1spr n THR 37 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1spr s LYS 38 N 0.09 4.30 0.00 -2.82 1.02 -1.26 -0.98 119.74 120.08 1spr s LYS 38 Ca 0.37 1.91 0.00 0.00 0.02 0.00 0.00 55.97 58.27 1spr s LYS 38 Cb -0.06 -3.57 0.00 0.00 -0.52 0.00 0.00 37.83 33.68 1spr s LYS 38 CO -0.04 -0.55 0.00 0.41 -0.92 0.00 0.00 175.35 174.25 1spr n GLY 39 N 3.59 1.70 3.83 -3.33 0.00 -1.26 -5.11 105.19 104.60 1spr n GLY 39 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 1spr n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1spr s ALA 40 N -1.20 3.71 0.16 4.61 0.00 -0.15 -4.56 121.76 124.33 1spr s ALA 40 Ca 0.00 -1.59 0.01 0.00 0.00 0.00 0.00 51.96 50.38 1spr s ALA 40 Cb 0.00 -1.17 0.01 0.00 0.00 0.00 0.00 23.12 21.96 1spr s ALA 40 CO 0.00 0.10 0.11 0.66 0.00 0.00 0.00 175.76 176.63 1spr n TYR 41 N -1.28 -1.14 -3.70 0.00 4.02 -0.18 -1.45 117.16 113.43 1spr n TYR 41 Ca -0.04 -0.69 -0.11 0.00 -0.01 0.00 0.00 57.90 57.06 1spr n TYR 41 Cb 0.59 -0.13 -0.11 0.00 -0.02 0.00 0.00 39.34 39.67 1spr n TYR 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1spr s LEU 43 N 1.50 5.01 -0.23 0.00 2.96 -0.09 -1.56 118.68 126.28 1spr s LEU 43 Ca -0.09 -0.81 -0.09 0.00 -0.22 0.00 0.00 54.13 52.92 1spr s LEU 43 Cb -0.09 -2.29 -0.04 0.00 0.50 0.00 0.00 46.19 44.26 1spr s LEU 43 CO -0.12 -0.55 0.12 -0.44 -1.32 0.00 0.00 176.35 174.04 1spr s SER 44 N 1.86 5.80 0.02 3.68 0.01 -0.26 -0.56 113.70 124.25 1spr s SER 44 Ca 0.09 0.04 0.03 0.00 1.31 0.00 0.00 55.95 57.42 1spr s SER 44 Cb -0.18 -2.04 -0.02 0.00 0.21 0.00 0.00 66.02 63.99 1spr s SER 44 CO 0.12 0.07 -0.10 0.54 0.41 0.00 0.00 173.24 174.27 1spr s VAL 45 N 1.03 0.77 -0.05 3.43 0.11 -0.43 -1.50 120.40 123.76 1spr s VAL 45 Ca 0.06 -0.76 -0.14 0.00 -2.93 0.00 0.00 61.98 58.21 1spr s VAL 45 Cb -0.14 -0.72 -0.05 0.00 -1.53 0.00 0.00 36.38 33.95 1spr s VAL 45 CO 0.04 -0.03 0.36 -0.94 -3.33 0.00 0.00 175.10 171.20 1spr s SER 46 N -0.88 6.69 0.36 3.54 1.04 0.31 -1.28 113.70 123.47 1spr s SER 46 Ca -0.01 0.82 0.07 0.00 0.48 0.00 0.00 55.95 57.31 1spr s SER 46 Cb -0.06 -2.22 -0.07 0.00 0.10 0.00 0.00 66.02 63.77 1spr s SER 46 CO 0.00 0.28 -0.01 -0.62 0.98 0.00 0.00 173.24 173.87 1spr s ASP 47 N -0.70 3.42 -0.07 7.02 2.15 0.69 -0.77 116.67 128.41 1spr s ASP 47 Ca 0.22 -1.31 -0.04 0.00 0.43 0.00 0.00 52.55 51.84 1spr s ASP 47 Cb -0.15 -0.30 0.03 0.00 -0.30 0.00 0.00 42.92 42.20 1spr s ASP 47 CO 0.10 -0.41 0.17 0.12 -0.17 0.00 0.00 175.17 174.98 1spr s PHE 48 N -2.84 -0.20 0.01 -5.34 5.36 -1.26 -1.01 117.98 112.69 1spr s PHE 48 Ca 0.34 0.52 -0.04 0.00 -0.96 0.00 0.00 56.93 56.80 1spr s PHE 48 Cb 0.07 -0.01 -0.01 0.00 -0.34 0.00 0.00 43.02 42.74 1spr s PHE 48 CO 0.16 -0.15 0.06 0.16 -1.46 0.00 0.00 175.22 173.99 1spr s ASP 49 N 0.81 0.10 0.00 6.13 1.47 -1.11 -5.01 116.67 119.05 1spr s ASP 49 Ca -0.06 -0.28 0.30 0.00 1.18 0.00 0.00 52.55 53.70 1spr s ASP 49 Cb -0.08 0.16 1.72 0.00 -0.34 0.00 0.00 42.92 44.38 1spr s ASP 49 CO -0.04 -0.29 2.12 -0.46 0.68 0.00 0.00 175.17 177.18 1spr n ASN 50 N 1.73 0.00 -0.05 2.11 6.94 -1.26 -0.25 115.26 124.48 1spr n ASN 50 Ca -0.22 -0.68 -0.15 0.00 -0.02 0.00 0.00 54.58 53.51 1spr n ASN 50 Cb 0.56 -0.10 -0.13 0.00 -2.36 0.00 0.00 39.78 37.75 1spr n ASN 50 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1spr h ALA 51 N 3.75 -0.01 0.00 -2.53 0.00 -2.05 -3.37 119.26 115.05 1spr h ALA 51 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1spr h ALA 51 Cb 0.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1spr h ALA 51 CO 0.00 0.04 -1.13 1.63 0.00 0.00 0.00 179.25 179.79 1spr n LYS 52 N -4.56 0.35 0.00 0.00 5.02 -1.17 -5.08 118.16 112.73 1spr n LYS 52 Ca -0.10 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 1spr n LYS 52 Cb 0.51 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 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 1.34 -0.18 3.68 0.72 0.00 0.65 -4.77 105.19 106.63 1spr n GLY 53 Ca 0.01 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 1spr n GLY 53 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1spr s LEU 54 N 0.00 4.37 0.20 0.99 1.43 -1.26 -2.75 118.68 121.65 1spr s LEU 54 Ca 0.00 2.50 -0.09 0.00 -1.03 0.00 0.00 54.13 55.50 1spr s LEU 54 Cb 0.00 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.66 1spr s LEU 54 CO 0.00 -0.95 0.34 0.54 0.23 0.00 0.00 176.35 176.51 1spr s ASN 55 N 3.11 0.00 0.02 2.29 2.20 -0.18 -5.00 114.94 117.38 1spr s ASN 55 Ca 0.78 -0.95 0.06 0.00 -0.94 0.00 0.00 52.86 51.81 1spr s ASN 55 Cb -0.40 0.48 -0.03 0.00 -2.00 0.00 0.00 41.25 39.31 1spr s ASN 55 CO 0.34 -0.97 -0.16 -0.69 -2.94 0.00 0.00 177.10 172.67 1spr s VAL 56 N -4.01 2.90 -0.04 3.54 1.01 -1.26 -0.23 120.40 122.31 1spr s VAL 56 Ca 0.22 -1.07 0.06 0.00 0.00 0.00 0.00 61.98 61.18 1spr s VAL 56 Cb 0.02 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 1spr s VAL 56 CO 0.04 0.39 -0.21 -0.54 0.00 0.00 0.00 175.10 174.78 1spr s LYS 57 N -1.31 2.41 -0.18 2.72 -0.14 -0.41 -4.93 119.74 117.90 1spr s LYS 57 Ca 0.14 -0.83 -0.03 0.00 -1.36 0.00 0.00 55.97 53.88 1spr s LYS 57 Cb -0.11 -2.21 -0.02 0.00 -1.68 0.00 0.00 37.83 33.81 1spr s LYS 57 CO 0.05 0.52 -0.05 -1.01 -0.76 0.00 0.00 175.35 174.10 1spr s HIS 58 N -0.50 2.97 -0.16 3.18 3.76 -1.26 -1.32 115.29 121.96 1spr s HIS 58 Ca 0.06 -0.55 0.00 0.00 -0.15 0.00 0.00 55.06 54.42 1spr s HIS 58 Cb -0.11 -2.00 0.00 0.00 1.11 0.00 0.00 32.58 31.58 1spr s HIS 58 CO 0.01 -0.24 -0.16 0.71 -0.85 0.00 0.00 174.74 174.21 1spr s TYR 59 N 0.79 2.78 0.15 1.40 2.02 0.27 -4.95 117.35 119.81 1spr s TYR 59 Ca -0.02 -1.15 -0.30 0.00 -0.37 0.00 0.00 57.07 55.23 1spr s TYR 59 Cb -0.15 -1.90 -0.07 0.00 -0.40 0.00 0.00 41.96 39.44 1spr s TYR 59 CO 0.02 -0.54 1.17 0.21 -1.57 0.00 0.00 175.55 174.83 1spr s LYS 60 N 0.93 4.51 -0.14 -0.62 2.20 -1.26 -0.91 119.74 124.44 1spr s LYS 60 Ca -0.03 1.80 -0.04 0.00 -0.36 0.00 0.00 55.97 57.33 1spr s LYS 60 Cb -0.15 -3.28 -0.03 0.00 -1.51 0.00 0.00 37.83 32.86 1spr s LYS 60 CO -0.02 -0.08 0.01 0.42 -0.36 0.00 0.00 175.35 175.31 1spr s ILE 61 N 0.19 4.36 0.03 5.43 1.01 -0.51 -4.53 121.20 127.18 1spr s ILE 61 Ca 0.53 -0.20 0.08 0.00 0.00 0.00 0.00 60.65 61.06 1spr s ILE 61 Cb -0.31 -2.90 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 1spr s ILE 61 CO 0.34 0.53 -0.23 -0.13 0.00 0.00 0.00 174.94 175.45 1spr s ARG 62 N -0.10 1.99 -0.12 2.79 0.52 0.13 -1.01 118.95 123.16 1spr s ARG 62 Ca 0.04 -1.01 -0.05 0.00 -0.52 0.00 0.00 55.73 54.20 1spr s ARG 62 Cb -0.13 -2.09 -0.04 0.00 0.52 0.00 0.00 34.95 33.22 1spr s ARG 62 CO 0.02 0.54 0.07 0.21 0.02 0.00 0.00 175.30 176.15 1spr s LYS 63 N -1.16 3.33 0.25 3.54 2.20 -1.26 -0.95 119.74 125.69 1spr s LYS 63 Ca 0.12 -0.29 -0.10 0.00 -0.36 0.00 0.00 55.97 55.35 1spr s LYS 63 Cb -0.10 -3.02 -0.07 0.00 -1.51 0.00 0.00 37.83 33.12 1spr s LYS 63 CO 0.02 0.66 0.59 -0.51 -0.36 0.00 0.00 175.35 175.75 1spr s LEU 64 N -0.73 4.13 0.27 5.43 2.01 0.10 -4.94 118.68 124.95 1spr s LEU 64 Ca 0.12 0.97 -0.01 0.00 0.01 0.00 0.00 54.13 55.22 1spr s LEU 64 Cb -0.12 -3.75 0.49 0.00 0.01 0.00 0.00 46.19 42.83 1spr s LEU 64 CO 0.03 -0.11 1.82 -2.24 1.01 0.00 0.00 176.35 176.86 1spr h ASP 65 N 2.40 0.81 -0.02 2.29 3.04 -1.99 -0.01 116.42 122.94 1spr h ASP 65 Ca -0.47 0.05 -0.01 0.00 -3.24 0.00 0.00 57.03 53.36 1spr h ASP 65 Cb 1.17 -0.11 -0.01 0.00 -1.04 0.00 0.00 39.33 39.35 1spr h ASP 65 CO 0.68 0.44 0.02 -1.54 -2.04 0.00 0.00 179.24 176.79 1spr n SER 66 N -4.68 3.17 0.00 4.15 3.41 -1.26 -4.91 113.62 113.50 1spr n SER 66 Ca 0.17 -2.07 0.00 0.00 -0.26 0.00 0.00 58.87 56.71 1spr n SER 66 Cb 0.33 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 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 0.52 1.71 3.40 5.00 0.00 -0.02 -5.02 105.19 110.79 1spr n GLY 67 Ca 0.01 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 3.19 -0.02 0.00 -1.26 -4.24 105.19 100.85 1spr n GLY 68 Ca 0.00 -0.79 -0.21 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.37 1.41 0.01 1.61 0.40 0.35 0.02 117.98 119.40 1spr s PHE 69 Ca 0.58 -0.38 -0.23 0.00 -0.60 0.00 0.00 56.93 56.29 1spr s PHE 69 Cb -0.19 -0.82 0.05 0.00 0.51 0.00 0.00 43.02 42.57 1spr s PHE 69 CO 0.66 0.07 0.53 1.52 0.70 0.00 0.00 175.22 178.70 1spr s TYR 70 N -0.95 -0.45 -0.22 0.36 -0.85 -0.13 -0.79 117.35 114.33 1spr s TYR 70 Ca 0.03 0.62 -0.06 0.00 -0.52 0.00 0.00 57.07 57.14 1spr s TYR 70 Cb -0.09 0.32 -0.19 0.00 0.38 0.00 0.00 41.96 42.38 1spr s TYR 70 CO 0.02 -0.59 -0.03 -0.89 -1.52 0.00 0.00 175.55 172.53 1spr n ILE 71 N 0.68 1.59 -4.63 -3.49 5.41 -1.26 -0.69 119.36 116.97 1spr n ILE 71 Ca -0.19 -0.51 -0.33 0.00 1.00 0.00 0.00 62.75 62.71 1spr n ILE 71 Cb 0.59 -1.65 -0.12 0.00 -0.71 0.00 0.00 39.64 37.74 1spr n ILE 71 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1spr s THR 72 N -2.51 3.53 -0.97 1.39 2.01 -1.26 -4.96 115.64 112.87 1spr s THR 72 Ca -0.31 -0.52 0.15 0.00 0.31 0.00 0.00 61.69 61.32 1spr s THR 72 Cb 0.09 -2.47 0.13 0.00 0.01 0.00 0.00 72.50 70.25 1spr s THR 72 CO 0.63 0.55 1.48 -1.54 -0.69 0.00 0.00 174.62 175.06 1spr n SER 73 N 2.87 0.04 -0.02 3.53 3.41 -1.26 -1.44 113.62 120.74 1spr n SER 73 Ca -0.18 0.51 -0.13 0.00 -0.26 0.00 0.00 58.87 58.81 1spr n SER 73 Cb 0.53 -0.52 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1spr n SER 73 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1spr h ARG 74 N 0.00 0.08 -4.36 4.33 2.47 -2.01 -3.41 114.38 111.47 1spr h ARG 74 Ca 0.00 -0.04 -0.73 0.00 -1.26 0.00 0.00 59.98 57.95 1spr h ARG 74 Cb 0.26 0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 28.33 1spr h ARG 74 CO 0.00 0.56 -0.39 0.99 0.56 0.00 0.00 179.97 181.69 1spr s THR 75 N -4.19 4.74 0.10 2.04 2.01 -0.52 -5.05 115.64 114.76 1spr s THR 75 Ca -0.16 -1.25 0.08 0.00 0.31 0.00 0.00 61.69 60.67 1spr s THR 75 Cb 0.02 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 1spr s THR 75 CO 0.69 -0.56 -0.15 -1.10 -0.69 0.00 0.00 174.62 172.81 1spr s GLN 76 N 1.53 1.97 0.06 4.92 -0.21 -1.26 -4.26 119.66 122.40 1spr s GLN 76 Ca 0.04 -1.08 0.05 0.00 0.02 0.00 0.00 55.36 54.39 1spr s GLN 76 Cb -0.24 -2.20 -0.03 0.00 1.00 0.00 0.00 33.01 31.54 1spr s GLN 76 CO 0.04 0.50 -0.15 -0.06 -2.12 0.00 0.00 175.29 173.51 1spr s PHE 77 N -1.12 1.28 0.18 0.91 0.08 0.03 -4.95 117.98 114.39 1spr s PHE 77 Ca 0.18 -0.41 0.18 0.00 0.12 0.00 0.00 56.93 57.00 1spr s PHE 77 Cb -0.11 -0.73 0.67 0.00 -0.57 0.00 0.00 43.02 42.28 1spr s PHE 77 CO 0.10 0.06 1.73 0.77 -0.10 0.00 0.00 175.22 177.79 1spr h SER 78 N 4.53 0.00 -5.55 1.36 0.02 -1.94 0.10 113.55 112.07 1spr h SER 78 Ca -0.40 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.31 1spr h SER 78 Cb 1.19 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.58 1spr h SER 78 CO 0.42 0.38 -0.62 -0.94 -1.14 0.00 0.00 176.83 174.93 1spr s SER 79 N -6.47 0.19 0.41 3.07 1.04 -1.26 -4.49 113.70 106.20 1spr s SER 79 Ca -0.00 -1.37 0.12 0.00 0.48 0.00 0.00 55.95 55.17 1spr s SER 79 Cb 0.11 0.37 0.87 0.00 0.10 0.00 0.00 66.02 67.47 1spr s SER 79 CO 0.69 -0.83 1.95 -0.07 0.98 0.00 0.00 173.24 175.96 1spr h LEU 80 N 2.63 0.13 -0.42 2.42 3.38 -1.95 -2.40 115.31 119.10 1spr h LEU 80 Ca -0.36 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.42 1spr h LEU 80 Cb 1.25 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 1spr h LEU 80 CO 0.54 0.30 -0.42 -0.61 0.09 0.00 0.00 178.44 178.33 1spr h GLN 81 N 0.13 0.86 -0.36 1.13 5.75 -1.96 -1.49 115.11 119.17 1spr h GLN 81 Ca 0.03 -0.47 -0.01 0.00 -0.15 0.00 0.00 58.65 58.05 1spr h GLN 81 Cb 0.35 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.91 1spr h GLN 81 CO 0.02 1.11 0.19 1.96 -2.65 0.00 0.00 178.83 179.46 1spr h GLN 82 N 0.69 0.51 0.08 1.69 4.20 -1.91 -2.22 115.11 118.16 1spr h GLN 82 Ca 0.05 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.71 1spr h GLN 82 Cb 1.01 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 28.64 1spr h GLN 82 CO 0.10 0.44 -0.49 1.25 -0.67 0.00 0.00 178.83 179.45 1spr h LEU 83 N 0.46 -1.49 -1.37 1.46 6.46 -1.40 -1.01 115.31 118.41 1spr h LEU 83 Ca 0.13 0.16 0.07 0.00 -0.12 0.00 0.00 57.88 58.12 1spr h LEU 83 Cb 0.08 0.56 -0.05 0.00 -0.73 0.00 0.00 40.66 40.53 1spr h LEU 83 CO -0.02 -0.53 0.48 0.58 -0.62 0.00 0.00 178.44 178.33 1spr h VAL 84 N -0.69 1.02 -0.52 1.05 2.07 -1.31 -2.37 116.25 115.50 1spr h VAL 84 Ca 0.01 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.21 1spr h VAL 84 Cb 0.73 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1spr h VAL 84 CO -0.30 0.14 0.09 0.00 0.02 0.00 0.00 177.57 177.52 1spr h ALA 85 N 1.61 0.69 0.87 1.67 0.00 -0.71 -2.35 119.26 121.03 1spr h ALA 85 Ca 0.32 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1spr h ALA 85 Cb 0.26 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1spr h ALA 85 CO -0.11 0.42 -0.42 -0.92 0.00 0.00 0.00 179.25 178.22 1spr h TYR 86 N 0.74 -1.09 0.00 0.00 3.20 -0.81 -2.60 116.97 116.40 1spr h TYR 86 Ca 0.16 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1spr h TYR 86 Cb 0.39 0.36 0.00 0.00 1.54 0.00 0.00 36.73 39.02 1spr h TYR 86 CO 0.03 -0.67 0.00 0.66 -1.64 0.00 0.00 178.16 176.54 1spr n TYR 87 N -5.56 0.00 0.01 -3.82 4.01 -0.93 -0.28 117.16 110.59 1spr n TYR 87 Ca -0.15 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.62 1spr n TYR 87 Cb 0.47 -0.31 -0.10 0.00 -0.31 0.00 0.00 39.34 39.09 1spr n TYR 87 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1spr n SER 88 N -1.31 0.52 -0.04 7.72 7.64 -0.89 0.04 113.62 127.31 1spr n SER 88 Ca 0.02 0.22 -0.14 0.00 1.01 0.00 0.00 58.87 59.98 1spr n SER 88 Cb 0.03 0.76 -0.12 0.00 -1.01 0.00 0.00 64.21 63.87 1spr n SER 88 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1spr h LYS 89 N 0.00 0.09 -3.31 1.43 1.79 -0.26 -3.43 116.57 112.88 1spr h LYS 89 Ca -0.16 -0.09 -0.02 0.00 -2.18 0.00 0.00 60.65 58.19 1spr h LYS 89 Cb 1.47 0.03 -0.10 0.00 -1.58 0.00 0.00 32.23 32.05 1spr h LYS 89 CO 0.03 0.86 0.03 -3.38 -1.08 0.00 0.00 179.45 175.90 1spr s HIS 90 N -3.09 -0.11 0.21 -1.35 -3.43 -0.73 -5.03 115.29 101.76 1spr s HIS 90 Ca -0.17 -0.23 0.09 0.00 -0.80 0.00 0.00 55.06 53.95 1spr s HIS 90 Cb -0.00 0.39 0.13 0.00 -1.43 0.00 0.00 32.58 31.67 1spr s HIS 90 CO 0.71 -0.92 1.48 0.00 -2.00 0.00 0.00 174.74 174.01 1spr h ALA 91 N 2.20 0.73 -7.36 -1.38 0.00 -1.86 -3.37 119.26 108.21 1spr h ALA 91 Ca -0.29 -0.70 -0.06 0.00 0.00 0.00 0.00 54.91 53.87 1spr h ALA 91 Cb 1.26 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1spr h ALA 91 CO 0.37 0.96 -0.10 -3.47 0.00 0.00 0.00 179.25 177.01 1spr n ASP 92 N -3.62 -0.39 0.00 0.00 2.03 -1.26 -1.16 116.55 112.15 1spr n ASP 92 Ca -0.01 -0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.18 1spr n ASP 92 Cb 0.74 -0.15 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 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 -1.03 2.69 3.95 0.27 0.00 -1.26 -5.09 105.19 104.71 1spr n GLY 93 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 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 2.98 0.34 0.99 1.02 -0.31 -4.98 118.68 118.72 1spr s LEU 94 Ca 0.00 0.27 0.02 0.00 0.02 0.00 0.00 54.13 54.44 1spr s LEU 94 Cb 0.00 -3.00 0.59 0.00 0.02 0.00 0.00 46.19 43.80 1spr s LEU 94 CO 0.00 -1.45 1.97 0.00 0.02 0.00 0.00 176.35 176.90 1spr s HIS 96 N -5.61 -0.42 0.40 0.00 5.65 -1.26 -5.08 115.29 108.96 1spr s HIS 96 Ca -0.10 0.59 -0.26 0.00 0.25 0.00 0.00 55.06 55.54 1spr s HIS 96 Cb 0.17 0.47 -0.10 0.00 -1.18 0.00 0.00 32.58 31.94 1spr s HIS 96 CO 0.77 -0.47 1.33 -2.13 -0.65 0.00 0.00 174.74 173.60 1spr n ARG 97 N 0.44 2.13 -2.35 2.88 0.63 -1.26 -4.77 116.66 114.35 1spr n ARG 97 Ca -0.12 0.75 -0.41 0.00 -0.92 0.00 0.00 57.85 57.15 1spr n ARG 97 Cb 0.59 -2.45 -0.03 0.00 0.45 0.00 0.00 32.46 31.01 1spr n ARG 97 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1spr s LEU 98 N -1.77 4.44 0.00 6.15 1.43 0.11 -4.53 118.68 124.50 1spr s LEU 98 Ca 0.59 2.25 0.00 0.00 -1.03 0.00 0.00 54.13 55.94 1spr s LEU 98 Cb -0.51 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.11 1spr s LEU 98 CO 0.60 -0.40 0.00 0.35 0.23 0.00 0.00 176.35 177.12 1spr n THR 99 N 2.58 0.00 -2.90 5.49 -2.24 0.36 -4.28 114.28 113.29 1spr n THR 99 Ca 0.05 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.52 1spr n THR 99 Cb 0.44 -0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.37 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 0.70 6.61 0.16 3.42 0.01 -1.24 -4.94 114.94 119.67 1spr s ASN 100 Ca 0.00 1.22 -0.30 0.00 -0.71 0.00 0.00 52.86 53.07 1spr s ASN 100 Cb 0.00 -2.36 -0.07 0.00 0.41 0.00 0.00 41.25 39.23 1spr s ASN 100 CO 0.00 -0.36 0.99 -0.69 -1.51 0.00 0.00 177.10 175.54 1spr s VAL 101 N -2.27 4.21 0.09 1.60 1.01 -1.26 -1.16 120.40 122.62 1spr s VAL 101 Ca 0.53 1.95 -0.31 0.00 0.00 0.00 0.00 61.98 64.15 1spr s VAL 101 Cb -0.10 -4.24 -0.08 0.00 0.00 0.00 0.00 36.38 31.95 1spr s VAL 101 CO 0.27 0.35 1.53 0.00 0.00 0.00 0.00 175.10 177.25 1spr s PRO 103 N 1.89 -0.19 0.00 0.00 0.04 -1.26 -4.98 135.00 130.50 1spr s PRO 103 Ca 0.69 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1spr s PRO 103 Cb -0.38 -1.61 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1spr s PRO 103 CO 0.30 -3.33 0.00 2.41 0.04 0.00 0.00 177.00 176.43