#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1icc h PRO 2 N 0.00 0.01 0.00 -0.24 0.11 -2.09 0.69 132.00 130.48 1icc h PRO 2 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1icc h PRO 2 Cb 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1icc h PRO 2 CO 0.00 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 177.80 1icc n ALA 3 N -3.34 2.16 -3.91 -0.75 0.00 -1.26 -4.60 120.51 108.81 1icc n ALA 3 Ca 0.16 -0.11 -0.33 0.00 0.00 0.00 0.00 53.44 53.16 1icc n ALA 3 Cb 0.53 -1.30 -0.16 0.00 0.00 0.00 0.00 19.45 18.52 1icc n ALA 3 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1icc s VAL 4 N -2.10 2.17 0.01 0.00 1.01 0.23 -5.09 120.40 116.63 1icc s VAL 4 Ca 0.26 -0.92 -0.16 0.00 0.00 0.00 0.00 61.98 61.16 1icc s VAL 4 Cb 0.13 -1.90 -0.06 0.00 0.00 0.00 0.00 36.38 34.55 1icc s VAL 4 CO 0.23 0.54 0.46 -0.89 0.00 0.00 0.00 175.10 175.43 1icc s THR 5 N 1.12 4.97 0.14 3.92 2.01 -1.26 -4.92 115.64 121.61 1icc s THR 5 Ca 0.01 0.95 0.06 0.00 0.31 0.00 0.00 61.69 63.01 1icc s THR 5 Cb -0.14 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 1icc s THR 5 CO -0.08 0.55 0.04 -0.31 -0.69 0.00 0.00 174.62 174.12 1icc s TYR 6 N -0.91 2.99 -0.07 4.92 2.02 -1.26 -1.53 117.35 123.52 1icc s TYR 6 Ca 0.25 -0.05 0.02 0.00 -0.37 0.00 0.00 57.07 56.92 1icc s TYR 6 Cb -0.17 -1.48 0.02 0.00 -0.40 0.00 0.00 41.96 39.92 1icc s TYR 6 CO 0.15 0.50 -0.10 0.71 -1.57 0.00 0.00 175.55 175.24 1icc s TYR 7 N -1.56 1.30 0.36 2.71 2.02 0.01 -4.85 117.35 117.33 1icc s TYR 7 Ca 0.28 -0.48 -0.26 0.00 -0.37 0.00 0.00 57.07 56.24 1icc s TYR 7 Cb -0.11 -1.00 -0.09 0.00 -0.40 0.00 0.00 41.96 40.37 1icc s TYR 7 CO 0.20 -0.28 1.06 1.03 -1.57 0.00 0.00 175.55 175.98 1icc s ARG 8 N 0.85 4.33 0.57 -0.62 0.52 -1.26 0.18 118.95 123.52 1icc s ARG 8 Ca -0.11 1.59 0.29 0.00 -0.52 0.00 0.00 55.73 56.97 1icc s ARG 8 Cb -0.15 -2.75 1.73 0.00 0.52 0.00 0.00 34.95 34.29 1icc s ARG 8 CO 0.01 -0.01 2.21 -0.07 0.02 0.00 0.00 175.30 177.47 1icc h LEU 9 N 2.94 0.00 -1.29 2.53 3.38 -1.95 0.74 115.31 121.66 1icc h LEU 9 Ca -0.48 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.44 1icc h LEU 9 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1icc h LEU 9 CO 0.64 0.03 -0.27 1.05 0.09 0.00 0.00 178.44 179.98 1icc h GLU 10 N 0.00 0.00 0.23 1.13 4.11 -1.95 0.17 114.58 118.27 1icc h GLU 10 Ca -0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.11 1icc h GLU 10 Cb 0.08 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.36 1icc h GLU 10 CO 0.00 0.27 -1.40 0.93 0.07 0.00 0.00 179.01 178.88 1icc h GLU 11 N 0.00 0.50 -0.72 1.06 4.39 -1.25 -3.33 114.58 115.22 1icc h GLU 11 Ca -0.00 -0.85 0.04 0.00 0.34 0.00 0.00 59.36 58.89 1icc h GLU 11 Cb 0.68 0.32 -0.05 0.00 -0.10 0.00 0.00 28.75 29.59 1icc h GLU 11 CO 0.04 1.41 0.44 0.28 -1.16 0.00 0.00 179.01 180.01 1icc h VAL 12 N 0.06 1.06 -0.22 3.13 2.07 -0.88 -2.05 116.25 119.42 1icc h VAL 12 Ca -0.25 -0.29 0.06 0.00 0.82 0.00 0.00 66.70 67.05 1icc h VAL 12 Cb 2.08 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1icc h VAL 12 CO 0.25 0.15 0.33 0.00 0.02 0.00 0.00 177.57 178.32 1icc h ALA 13 N 1.32 1.77 0.00 1.67 0.00 -0.66 -0.63 119.26 122.74 1icc h ALA 13 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1icc h ALA 13 Cb 0.07 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1icc h ALA 13 CO -0.13 -0.45 -0.13 1.63 0.00 0.00 0.00 179.25 180.18 1icc n LYS 14 N -3.49 0.17 -2.93 0.00 5.02 -0.77 -4.14 118.16 112.04 1icc n LYS 14 Ca 0.03 0.12 -0.43 0.00 -2.02 0.00 0.00 58.31 56.01 1icc n LYS 14 Cb 0.45 -1.68 0.01 0.00 -0.02 0.00 0.00 35.03 33.79 1icc n LYS 14 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1icc n ARG 15 N -1.97 4.13 -0.19 1.97 3.00 -0.24 -4.64 116.66 118.72 1icc n ARG 15 Ca 0.06 -4.32 0.07 0.00 -0.01 0.00 0.00 57.85 53.65 1icc n ARG 15 Cb 0.40 -2.62 0.10 0.00 0.00 0.00 0.00 32.46 30.34 1icc n ARG 15 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1icc n ASN 16 N 2.20 1.72 -4.47 0.55 6.94 -1.20 -1.63 115.26 119.38 1icc n ASN 16 Ca 0.29 -2.80 -0.23 0.00 -0.02 0.00 0.00 54.58 51.82 1icc n ASN 16 Cb 0.35 -0.37 -0.11 0.00 -2.36 0.00 0.00 39.78 37.30 1icc n ASN 16 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1icc s THR 17 N -2.11 1.44 0.57 5.53 -4.23 -1.20 -4.89 115.64 110.75 1icc s THR 17 Ca 0.24 -2.03 0.27 0.00 -1.18 0.00 0.00 61.69 58.98 1icc s THR 17 Cb 0.21 -2.74 0.36 0.00 1.34 0.00 0.00 72.50 71.66 1icc s THR 17 CO 0.02 -0.08 2.08 0.77 -0.54 0.00 0.00 174.62 176.88 1icc h SER 18 N 2.10 0.00 -0.32 3.99 4.64 -1.99 -2.03 113.55 119.94 1icc h SER 18 Ca -0.41 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.81 1icc h SER 18 Cb 1.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 1icc h SER 18 CO 0.71 0.00 -0.13 -0.33 -0.87 0.00 0.00 176.83 176.21 1icc h GLU 19 N 0.00 0.75 -1.58 4.77 4.39 -1.97 -3.42 114.58 117.52 1icc h GLU 19 Ca 0.11 -0.26 -0.04 0.00 0.34 0.00 0.00 59.36 59.52 1icc h GLU 19 Cb 0.54 -0.06 -0.25 0.00 -0.10 0.00 0.00 28.75 28.88 1icc h GLU 19 CO -0.00 0.85 -0.37 -2.00 -1.16 0.00 0.00 179.01 176.33 1icc s GLU 20 N -4.76 0.45 -0.17 2.33 2.12 -0.77 -5.01 118.70 112.90 1icc s GLU 20 Ca -0.09 0.82 0.01 0.00 0.36 0.00 0.00 54.97 56.06 1icc s GLU 20 Cb 0.14 0.08 0.01 0.00 0.26 0.00 0.00 34.13 34.62 1icc s GLU 20 CO 0.82 -0.58 -0.17 0.99 -0.54 0.00 0.00 175.26 175.78 1icc s THR 21 N 2.70 2.35 0.33 -1.70 2.01 -1.19 -3.22 115.64 116.92 1icc s THR 21 Ca 0.14 -0.86 0.10 0.00 0.31 0.00 0.00 61.69 61.38 1icc s THR 21 Cb -0.15 -1.99 -0.06 0.00 0.01 0.00 0.00 72.50 70.31 1icc s THR 21 CO -0.18 0.52 -0.08 0.26 -0.69 0.00 0.00 174.62 174.45 1icc s TRP 22 N 1.13 2.44 -0.12 4.92 0.52 -0.65 -0.80 118.94 126.38 1icc s TRP 22 Ca 0.01 -0.44 -0.25 0.00 0.02 0.00 0.00 56.10 55.43 1icc s TRP 22 Cb -0.14 -1.34 0.06 0.00 -1.15 0.00 0.00 33.47 30.90 1icc s TRP 22 CO -0.07 0.58 0.61 1.41 0.02 0.00 0.00 176.95 179.49 1icc s MET 23 N -3.63 0.88 -0.15 4.98 1.75 -0.32 -0.46 119.30 122.35 1icc s MET 23 Ca 0.33 0.43 -0.06 0.00 -1.25 0.00 0.00 55.69 55.13 1icc s MET 23 Cb 0.00 0.42 -0.04 0.00 2.84 0.00 0.00 34.83 38.05 1icc s MET 23 CO 0.17 -0.22 0.08 0.08 -0.65 0.00 0.00 175.02 174.48 1icc s VAL 24 N -0.63 4.93 -0.05 10.11 1.01 -0.58 -0.64 120.40 134.55 1icc s VAL 24 Ca -0.07 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 1icc s VAL 24 Cb -0.02 -3.18 0.03 0.00 0.00 0.00 0.00 36.38 33.21 1icc s VAL 24 CO 0.06 0.53 0.03 -0.63 0.00 0.00 0.00 175.10 175.08 1icc s ILE 25 N -0.24 0.12 -1.31 2.22 -1.09 0.35 -0.20 121.20 121.05 1icc s ILE 25 Ca 0.09 0.27 -0.19 0.00 -2.23 0.00 0.00 60.65 58.58 1icc s ILE 25 Cb -0.12 -0.32 0.02 0.00 -1.58 0.00 0.00 42.46 40.47 1icc s ILE 25 CO 0.01 0.21 0.49 1.41 -1.23 0.00 0.00 174.94 175.83 1icc n HIS 26 N 5.10 -1.47 -0.90 3.97 8.25 -1.26 -1.19 115.22 127.71 1icc n HIS 26 Ca -0.08 0.35 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 1icc n HIS 26 Cb 0.50 -3.02 0.00 0.00 1.12 0.00 0.00 29.99 28.59 1icc n HIS 26 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1icc n GLY 27 N -2.14 0.49 3.39 -1.41 0.00 -1.26 -5.00 105.19 99.26 1icc n GLY 27 Ca -0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 1icc n GLY 27 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1icc s ARG 28 N -0.53 1.56 -0.14 1.61 0.52 -0.33 -1.72 118.95 119.93 1icc s ARG 28 Ca 0.00 -1.26 -0.07 0.00 -0.52 0.00 0.00 55.73 53.88 1icc s ARG 28 Cb 0.00 -1.95 -0.04 0.00 0.52 0.00 0.00 34.95 33.48 1icc s ARG 28 CO 0.00 0.47 0.11 0.08 0.02 0.00 0.00 175.30 175.98 1icc s VAL 29 N -1.00 5.21 -0.06 3.52 1.01 0.71 -0.50 120.40 129.29 1icc s VAL 29 Ca 0.14 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.24 1icc s VAL 29 Cb -0.10 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 33.01 1icc s VAL 29 CO 0.05 0.57 -0.11 -0.31 0.00 0.00 0.00 175.10 175.30 1icc s TYR 30 N -0.60 1.33 -0.73 5.22 1.51 0.18 -0.93 117.35 123.33 1icc s TYR 30 Ca 0.12 -0.47 -0.20 0.00 -1.01 0.00 0.00 57.07 55.50 1icc s TYR 30 Cb -0.12 -0.99 0.10 0.00 -0.11 0.00 0.00 41.96 40.84 1icc s TYR 30 CO 0.02 -0.26 0.95 0.34 -1.11 0.00 0.00 175.55 175.49 1icc s ASP 31 N 0.70 6.33 -0.09 2.29 -1.08 -0.08 -1.18 116.67 123.56 1icc s ASP 31 Ca -0.14 -1.47 0.12 0.00 -0.52 0.00 0.00 52.55 50.55 1icc s ASP 31 Cb -0.16 -2.38 0.52 0.00 -1.46 0.00 0.00 42.92 39.44 1icc s ASP 31 CO 0.03 -1.22 1.37 0.18 0.52 0.00 0.00 175.17 176.04 1icc n LEU 32 N 6.92 3.61 -0.22 -1.34 4.77 0.01 -4.60 117.00 126.15 1icc n LEU 32 Ca 0.04 -1.82 0.03 0.00 -0.03 0.00 0.00 56.01 54.22 1icc n LEU 32 Cb 0.46 -0.51 0.14 0.00 -2.33 0.00 0.00 43.42 41.19 1icc n LEU 32 CO 0.58 0.58 0.95 0.74 -1.33 0.00 0.00 177.39 178.91 1icc h THR 33 N 2.86 0.62 0.00 -5.08 2.02 -1.83 0.10 112.91 111.59 1icc h THR 33 Ca 0.00 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1icc h THR 33 Cb 1.16 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1icc h THR 33 CO 0.19 0.06 -0.12 0.54 0.37 0.00 0.00 175.52 176.56 1icc n ARG 34 N -5.10 0.19 0.13 6.66 1.74 -1.26 -3.73 116.66 115.29 1icc n ARG 34 Ca 0.11 0.13 0.05 0.00 -0.77 0.00 0.00 57.85 57.37 1icc n ARG 34 Cb 0.37 -1.69 0.02 0.00 -1.02 0.00 0.00 32.46 30.14 1icc n ARG 34 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1icc h PHE 35 N 0.00 0.00 -0.65 -1.55 3.57 -1.12 -3.39 116.94 113.81 1icc h PHE 35 Ca 0.00 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.63 1icc h PHE 35 Cb 0.67 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 39.28 1icc h PHE 35 CO 0.00 0.37 -0.22 -0.07 -2.23 0.00 0.00 178.31 176.16 1icc h LEU 36 N 0.00 -0.79 -2.48 0.59 3.38 -1.50 -0.47 115.31 114.05 1icc h LEU 36 Ca -0.04 0.21 0.01 0.00 0.09 0.00 0.00 57.88 58.15 1icc h LEU 36 Cb 1.32 0.47 -0.00 0.00 0.09 0.00 0.00 40.66 42.53 1icc h LEU 36 CO 0.04 -0.25 0.02 0.28 0.09 0.00 0.00 178.44 178.62 1icc h SER 37 N -0.05 0.00 -0.37 -0.43 0.02 -1.85 -2.77 113.55 108.09 1icc h SER 37 Ca 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1icc h SER 37 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1icc h SER 37 CO -0.69 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 174.38 1icc n GLU 38 N -3.79 2.36 -2.54 3.45 -0.58 -0.20 -4.95 120.64 114.40 1icc n GLU 38 Ca -0.03 -2.16 -0.43 0.00 -0.42 0.00 0.00 57.16 54.12 1icc n GLU 38 Cb 0.11 -1.45 -0.02 0.00 -0.57 0.00 0.00 31.44 29.51 1icc n GLU 38 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1icc s HIS 39 N -1.30 2.98 0.53 -0.32 2.46 -1.05 -4.92 115.29 113.68 1icc s HIS 39 Ca 0.34 1.11 0.23 0.00 0.47 0.00 0.00 55.06 57.21 1icc s HIS 39 Cb 0.20 -3.65 1.36 0.00 -0.13 0.00 0.00 32.58 30.36 1icc s HIS 39 CO 0.27 -1.18 2.04 -1.35 -2.47 0.00 0.00 174.74 172.05 1icc h PRO 40 N 8.35 0.01 0.00 2.88 0.11 -1.92 0.24 132.00 141.66 1icc h PRO 40 Ca -0.23 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1icc h PRO 40 Cb 1.08 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1icc h PRO 40 CO 1.01 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.22 1icc n GLY 41 N -1.61 -0.96 0.00 -0.55 0.00 -1.26 -5.01 105.19 95.79 1icc n GLY 41 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1icc n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1icc n GLY 42 N 0.82 0.08 0.17 -0.02 0.00 0.83 -4.66 105.19 102.41 1icc n GLY 42 Ca 0.19 -1.80 -0.22 0.00 0.00 0.00 0.00 46.02 44.19 1icc n GLY 42 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1icc h GLU 43 N 0.00 0.60 -0.47 1.61 5.08 -1.81 -3.38 114.58 116.21 1icc h GLU 43 Ca 0.00 -0.81 0.08 0.00 -1.00 0.00 0.00 59.36 57.63 1icc h GLU 43 Cb 0.00 0.27 -0.07 0.00 0.50 0.00 0.00 28.75 29.45 1icc h GLU 43 CO 0.00 1.37 0.07 1.49 -1.00 0.00 0.00 179.01 180.94 1icc h GLU 44 N 0.26 0.19 0.00 2.33 4.57 -1.96 0.22 114.58 120.20 1icc h GLU 44 Ca -0.19 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 57.98 1icc h GLU 44 Cb 1.92 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 30.47 1icc h GLU 44 CO 0.24 0.13 -0.02 -0.39 -1.18 0.00 0.00 179.01 177.78 1icc h VAL 45 N 0.20 0.28 0.19 0.32 -1.51 -1.83 0.32 116.25 114.22 1icc h VAL 45 Ca 0.23 -0.12 -0.31 0.00 -1.23 0.00 0.00 66.70 65.28 1icc h VAL 45 Cb 0.32 1.09 0.02 0.00 -2.13 0.00 0.00 31.29 30.58 1icc h VAL 45 CO -0.33 0.02 -1.48 -0.07 -1.23 0.00 0.00 177.57 174.48 1icc h LEU 46 N 0.00 0.63 -0.78 4.19 3.38 -0.84 -3.31 115.31 118.59 1icc h LEU 46 Ca -0.00 -0.92 0.05 0.00 0.09 0.00 0.00 57.88 57.09 1icc h LEU 46 Cb 0.09 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 1icc h LEU 46 CO 0.00 1.68 0.48 0.03 0.09 0.00 0.00 178.44 180.73 1icc h ARG 47 N -0.02 0.88 -0.95 1.13 3.08 0.50 -1.14 114.38 117.87 1icc h ARG 47 Ca -0.28 -0.05 0.23 0.00 0.07 0.00 0.00 59.98 59.95 1icc h ARG 47 Cb 2.00 -0.20 -0.07 0.00 0.08 0.00 0.00 29.97 31.78 1icc h ARG 47 CO 0.18 0.58 0.63 0.93 -1.07 0.00 0.00 179.97 181.23 1icc h GLU 48 N 0.91 0.31 -0.07 0.04 5.08 -1.09 -2.20 114.58 117.55 1icc h GLU 48 Ca 0.33 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1icc h GLU 48 Cb 0.09 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1icc h GLU 48 CO -0.14 0.21 0.00 1.04 -1.00 0.00 0.00 179.01 179.11 1icc n GLN 49 N -4.49 2.17 -2.04 2.33 6.02 -0.86 -5.04 117.38 115.48 1icc n GLN 49 Ca 0.21 -2.28 -0.38 0.00 -0.01 0.00 0.00 57.00 54.54 1icc n GLN 49 Cb 0.81 -1.40 0.01 0.00 1.02 0.00 0.00 30.24 30.68 1icc n GLN 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1icc s ALA 50 N -2.18 3.01 0.00 -1.58 0.00 -0.49 -2.15 121.76 118.37 1icc s ALA 50 Ca 0.24 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1icc s ALA 50 Cb 0.20 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1icc s ALA 50 CO 0.04 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.27 1icc n GLY 51 N 0.60 1.63 3.46 0.00 0.00 0.39 -4.67 105.19 106.61 1icc n GLY 51 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 1icc n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1icc s ALA 52 N -3.07 2.45 -0.21 4.61 0.00 -0.91 -2.49 121.76 122.13 1icc s ALA 52 Ca 0.00 -2.05 -0.29 0.00 0.00 0.00 0.00 51.96 49.61 1icc s ALA 52 Cb 0.00 0.50 -0.01 0.00 0.00 0.00 0.00 23.12 23.60 1icc s ALA 52 CO 0.00 -0.24 1.36 0.34 0.00 0.00 0.00 175.76 177.23 1icc s ASP 53 N -3.50 6.74 -0.20 0.00 -1.08 -1.26 -1.52 116.67 115.85 1icc s ASP 53 Ca 0.35 1.57 0.15 0.00 -0.52 0.00 0.00 52.55 54.09 1icc s ASP 53 Cb 0.08 -2.54 0.47 0.00 -1.46 0.00 0.00 42.92 39.47 1icc s ASP 53 CO 0.15 -0.96 1.37 0.00 0.52 0.00 0.00 175.17 176.25 1icc n ALA 54 N 7.27 3.26 -0.15 3.66 0.00 0.73 -4.76 120.51 130.52 1icc n ALA 54 Ca 0.15 -2.68 -0.03 0.00 0.00 0.00 0.00 53.44 50.88 1icc n ALA 54 Cb 0.45 -0.63 0.03 0.00 0.00 0.00 0.00 19.45 19.30 1icc n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1icc h THR 55 N 1.14 0.52 -0.48 0.00 2.02 -1.89 0.19 112.91 114.40 1icc h THR 55 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.25 1icc h THR 55 Cb 1.39 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 1icc h THR 55 CO 0.21 0.00 0.31 -0.08 0.37 0.00 0.00 175.52 176.33 1icc h GLU 56 N -0.01 0.64 -0.44 6.66 4.81 -1.94 0.17 114.58 124.48 1icc h GLU 56 Ca 0.23 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.34 1icc h GLU 56 Cb 0.35 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1icc h GLU 56 CO -0.49 0.44 -0.03 0.77 -0.73 0.00 0.00 179.01 178.97 1icc h SER 57 N 0.65 0.78 -0.27 1.04 0.02 -1.81 0.40 113.55 114.37 1icc h SER 57 Ca 0.18 -0.33 0.06 0.00 -0.84 0.00 0.00 61.79 60.86 1icc h SER 57 Cb -0.05 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.22 1icc h SER 57 CO -0.04 0.92 -0.08 0.15 -1.14 0.00 0.00 176.83 176.65 1icc h PHE 58 N 0.63 -0.17 -0.23 3.45 3.57 -0.44 -1.82 116.94 121.93 1icc h PHE 58 Ca 0.12 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.48 1icc h PHE 58 Cb 0.54 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 1icc h PHE 58 CO 0.04 -0.13 -0.52 0.93 -2.23 0.00 0.00 178.31 176.40 1icc h GLU 59 N -0.02 0.65 -0.16 1.11 4.39 -0.52 -3.14 114.58 116.89 1icc h GLU 59 Ca 0.13 -0.39 -0.06 0.00 0.34 0.00 0.00 59.36 59.38 1icc h GLU 59 Cb 0.22 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1icc h GLU 59 CO -0.29 1.00 -0.19 -0.44 -1.16 0.00 0.00 179.01 177.94 1icc h ASP 60 N 0.50 0.25 0.25 1.42 3.32 -0.52 -1.69 116.42 119.96 1icc h ASP 60 Ca 0.02 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 1icc h ASP 60 Cb 1.07 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 1icc h ASP 60 CO 0.10 0.46 -0.32 0.58 -1.72 0.00 0.00 179.24 178.34 1icc h VAL 61 N 0.24 1.25 -1.68 -1.35 2.07 -1.30 -3.47 116.25 112.01 1icc h VAL 61 Ca 0.04 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1icc h VAL 61 Cb 0.47 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1icc h VAL 61 CO 0.03 0.36 0.00 0.61 0.02 0.00 0.00 177.57 178.59 1icc n GLY 62 N -0.50 0.58 3.77 2.17 0.00 -0.63 -5.03 105.19 105.55 1icc n GLY 62 Ca -0.02 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 1icc n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1icc s HIS 63 N -2.55 2.73 0.92 1.61 3.76 -1.25 -5.00 115.29 115.51 1icc s HIS 63 Ca 0.00 1.30 -0.12 0.00 -0.15 0.00 0.00 55.06 56.09 1icc s HIS 63 Cb 0.00 -3.84 0.14 0.00 1.11 0.00 0.00 32.58 30.00 1icc s HIS 63 CO 0.00 -2.49 1.10 -1.54 -0.85 0.00 0.00 174.74 170.96 1icc s SER 64 N -0.43 3.30 0.26 1.40 1.04 -1.26 -4.82 113.70 113.18 1icc s SER 64 Ca 0.54 1.33 -0.04 0.00 0.48 0.00 0.00 55.95 58.27 1icc s SER 64 Cb -0.42 -2.00 0.38 0.00 0.10 0.00 0.00 66.02 64.07 1icc s SER 64 CO 0.56 -2.73 1.87 -0.65 0.98 0.00 0.00 173.24 173.27 1icc h PRO 65 N -1.61 1.04 -0.02 4.02 0.11 -1.99 -1.04 132.00 132.52 1icc h PRO 65 Ca -0.51 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.45 1icc h PRO 65 Cb 1.30 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1icc h PRO 65 CO 0.57 0.69 -0.40 -0.44 -0.21 0.00 0.00 178.00 178.21 1icc h ASP 66 N 1.08 0.03 -0.54 -2.05 3.32 -1.99 -0.28 116.42 115.99 1icc h ASP 66 Ca 0.41 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.35 1icc h ASP 66 Cb 0.18 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1icc h ASP 66 CO -0.18 0.43 -0.04 0.00 -1.72 0.00 0.00 179.24 177.73 1icc h ALA 67 N 1.57 0.74 -0.26 3.45 0.00 -1.59 -1.69 119.26 121.48 1icc h ALA 67 Ca -0.00 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.44 1icc h ALA 67 Cb 0.72 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1icc h ALA 67 CO 0.05 0.59 -0.46 0.00 0.00 0.00 0.00 179.25 179.44 1icc h ARG 68 N 0.86 0.67 -0.96 0.00 3.08 -0.70 -2.75 114.38 114.58 1icc h ARG 68 Ca 0.15 -0.38 0.03 0.00 0.07 0.00 0.00 59.98 59.86 1icc h ARG 68 Cb 0.59 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.61 1icc h ARG 68 CO 0.04 0.99 0.63 1.49 -1.07 0.00 0.00 179.97 182.05 1icc h GLU 69 N 0.53 1.19 -0.02 0.04 4.57 -0.79 -2.09 114.58 118.01 1icc h GLU 69 Ca 0.03 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1icc h GLU 69 Cb 1.00 -0.27 -0.00 0.00 -0.16 0.00 0.00 28.75 29.33 1icc h GLU 69 CO 0.09 0.79 0.06 1.98 -1.18 0.00 0.00 179.01 180.76 1icc h MET 70 N 1.22 0.00 -0.55 1.92 4.05 -1.00 -2.47 114.93 118.11 1icc h MET 70 Ca 0.38 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.72 1icc h MET 70 Cb -0.01 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.77 1icc h MET 70 CO -0.11 0.00 0.03 -0.07 0.23 0.00 0.00 176.91 176.99 1icc h LEU 71 N 0.00 0.88 -0.78 3.39 3.38 -1.33 -3.30 115.31 117.54 1icc h LEU 71 Ca 0.01 -0.22 0.13 0.00 0.09 0.00 0.00 57.88 57.89 1icc h LEU 71 Cb 0.14 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 40.57 1icc h LEU 71 CO -0.00 0.92 0.37 0.11 0.09 0.00 0.00 178.44 179.93 1icc h LYS 72 N 0.85 0.55 0.00 1.13 1.57 -1.59 -1.14 116.57 117.93 1icc h LYS 72 Ca 0.16 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1icc h LYS 72 Cb 0.46 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 1icc h LYS 72 CO 0.02 0.36 -0.01 -0.56 -0.57 0.00 0.00 179.45 178.69 1icc h GLN 73 N 0.56 0.00 -0.28 3.15 3.07 -1.77 -2.27 115.11 117.57 1icc h GLN 73 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.15 1icc h GLN 73 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.11 1icc h GLN 73 CO -0.35 0.01 0.00 0.66 0.09 0.00 0.00 178.83 179.24 1icc n TYR 74 N -3.17 0.35 -1.95 0.06 4.01 -0.44 -4.97 117.16 111.05 1icc n TYR 74 Ca -0.02 -0.19 -0.42 0.00 -0.16 0.00 0.00 57.90 57.10 1icc n TYR 74 Cb 0.13 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.13 1icc n TYR 74 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1icc s TYR 75 N -1.50 2.14 -0.04 -0.72 5.04 -0.86 -0.90 117.35 120.51 1icc s TYR 75 Ca 0.33 0.21 0.01 0.00 -2.44 0.00 0.00 57.07 55.19 1icc s TYR 75 Cb 0.20 -3.95 -0.01 0.00 0.35 0.00 0.00 41.96 38.55 1icc s TYR 75 CO 0.29 -3.95 0.04 0.44 -1.34 0.00 0.00 175.55 171.03 1icc n ILE 76 N 5.13 0.00 -1.22 3.14 -5.35 -0.11 -4.92 119.36 116.03 1icc n ILE 76 Ca 0.17 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 1icc n ILE 76 Cb 0.42 0.89 0.00 0.00 -1.74 0.00 0.00 39.64 39.21 1icc n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1icc n GLY 77 N 1.31 -1.97 3.65 3.28 0.00 -1.20 -4.74 105.19 105.53 1icc n GLY 77 Ca 0.00 -1.17 -0.26 0.00 0.00 0.00 0.00 46.02 44.59 1icc n GLY 77 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1icc s ASP 78 N -1.34 4.65 0.18 1.61 1.11 -0.58 -0.21 116.67 122.08 1icc s ASP 78 Ca 0.00 -0.47 -0.31 0.00 0.18 0.00 0.00 52.55 51.95 1icc s ASP 78 Cb 0.00 -0.94 -0.09 0.00 1.07 0.00 0.00 42.92 42.96 1icc s ASP 78 CO 0.00 0.07 1.40 -0.69 1.18 0.00 0.00 175.17 177.14 1icc s VAL 79 N -1.83 3.02 0.28 -1.27 1.01 -0.70 -0.81 120.40 120.10 1icc s VAL 79 Ca 0.28 0.79 -0.29 0.00 0.00 0.00 0.00 61.98 62.76 1icc s VAL 79 Cb -0.09 -3.50 -0.14 0.00 0.00 0.00 0.00 36.38 32.65 1icc s VAL 79 CO 0.18 0.09 1.14 1.57 0.00 0.00 0.00 175.10 178.08 1icc n HIS 80 N 3.19 1.60 -0.10 5.22 -0.00 0.13 -4.73 115.22 120.53 1icc n HIS 80 Ca 0.09 0.63 0.14 0.00 0.46 0.00 0.00 57.72 59.04 1icc n HIS 80 Cb 0.41 -2.32 0.52 0.00 -0.12 0.00 0.00 29.99 28.49 1icc n HIS 80 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1icc h PRO 81 N 2.58 0.36 -0.09 1.57 0.13 -1.91 -1.50 132.00 133.14 1icc h PRO 81 Ca -0.42 -0.02 0.03 0.00 -0.87 0.00 0.00 66.00 64.71 1icc h PRO 81 Cb 1.32 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1icc h PRO 81 CO 0.64 0.24 0.09 -0.91 -0.23 0.00 0.00 178.00 177.83 1icc h ASN 82 N 0.37 0.00 -0.10 1.44 4.21 -1.98 -1.51 115.58 118.00 1icc h ASN 82 Ca 0.30 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.81 1icc h ASN 82 Cb 0.68 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.88 1icc h ASN 82 CO -0.08 0.00 0.00 0.47 -1.29 0.00 0.00 177.43 176.53 1icc n ASP 83 N -3.98 2.03 -4.87 5.81 8.00 -0.56 -4.95 116.55 118.03 1icc n ASP 83 Ca -0.01 -1.70 -0.31 0.00 0.71 0.00 0.00 54.79 53.48 1icc n ASP 83 Cb 0.19 -0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.22 1icc n ASP 83 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1icc s LEU 84 N -1.82 3.56 0.57 0.64 1.43 -0.57 -5.02 118.68 117.47 1icc s LEU 84 Ca 0.35 1.32 -0.20 0.00 -1.03 0.00 0.00 54.13 54.57 1icc s LEU 84 Cb 0.20 -4.28 -0.04 0.00 0.03 0.00 0.00 46.19 42.10 1icc s LEU 84 CO 0.31 -0.62 1.21 -1.59 0.23 0.00 0.00 176.35 175.88 1icc s LYS 85 N -4.45 3.10 0.46 1.70 0.00 -1.26 -4.92 119.74 114.37 1icc s LYS 85 Ca 0.54 1.84 0.30 0.00 0.00 0.00 0.00 55.97 58.65 1icc s LYS 85 Cb -0.10 -2.01 1.22 0.00 0.00 0.00 0.00 37.83 36.93 1icc s LYS 85 CO 0.40 -1.10 1.89 -1.00 0.00 0.00 0.00 175.35 175.54 1icc h PRO 86 N 1.08 0.00 0.00 1.78 0.13 -1.97 -3.53 132.00 129.50 1icc h PRO 86 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1icc h PRO 86 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1icc h PRO 86 CO 0.56 0.00 0.00 0.36 -0.23 0.00 0.00 178.00 178.69