#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2p s ARG 2 N 0.00 0.00 0.75 0.03 0.52 0.02 -4.86 118.95 115.42 2i2p s ARG 2 Ca 0.00 -0.00 -0.11 0.00 -0.52 0.00 0.00 55.73 55.10 2i2p s ARG 2 Cb 0.00 0.00 0.04 0.00 0.52 0.00 0.00 34.95 35.51 2i2p s ARG 2 CO 0.00 -0.00 1.08 -1.01 0.02 0.00 0.00 175.30 175.39 2i2p s HIS 3 N -1.36 2.84 0.36 -0.53 3.76 -1.26 -3.81 115.29 115.29 2i2p s HIS 3 Ca 0.11 1.40 -0.02 0.00 -0.15 0.00 0.00 55.06 56.39 2i2p s HIS 3 Cb -0.01 -2.99 0.01 0.00 1.11 0.00 0.00 32.58 30.70 2i2p s HIS 3 CO -0.06 -1.59 0.51 0.71 -0.85 0.00 0.00 174.74 173.46 2i2p s TYR 4 N -3.01 1.07 -0.44 1.40 2.02 -0.44 0.13 117.35 118.08 2i2p s TYR 4 Ca 0.60 -1.32 0.04 0.00 -0.37 0.00 0.00 57.07 56.02 2i2p s TYR 4 Cb -0.15 -0.03 0.25 0.00 -0.40 0.00 0.00 41.96 41.63 2i2p s TYR 4 CO 0.55 -1.20 1.00 -1.91 -1.57 0.00 0.00 175.55 172.43 2i2p n GLU 5 N -0.59 0.61 -2.68 -0.62 0.00 -1.05 -3.61 120.64 112.69 2i2p n GLU 5 Ca 0.01 -1.45 -0.32 0.00 0.00 0.00 0.00 57.16 55.39 2i2p n GLU 5 Cb 0.61 -1.09 -0.05 0.00 0.00 0.00 0.00 31.44 30.90 2i2p n GLU 5 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.13 175.63 2i2p s ILE 6 N 0.51 4.48 -0.15 6.31 1.10 -1.26 -3.71 121.20 128.49 2i2p s ILE 6 Ca 0.30 1.30 -0.05 0.00 -0.51 0.00 0.00 60.65 61.69 2i2p s ILE 6 Cb 0.23 -3.65 0.07 0.00 0.15 0.00 0.00 42.46 39.26 2i2p s ILE 6 CO -0.19 -0.47 0.30 0.54 -2.11 0.00 0.00 174.94 173.01 2i2p s VAL 7 N -2.35 -0.47 0.11 4.00 0.11 0.86 -2.77 120.40 119.90 2i2p s VAL 7 Ca 0.60 0.24 0.09 0.00 -2.93 0.00 0.00 61.98 59.97 2i2p s VAL 7 Cb -0.09 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 2i2p s VAL 7 CO 0.21 0.09 -0.23 0.72 -3.33 0.00 0.00 175.10 172.57 2i2p s PHE 8 N 2.46 1.96 -0.32 1.54 -0.12 -1.25 -1.77 117.98 120.48 2i2p s PHE 8 Ca 0.01 -0.41 -0.01 0.00 -0.05 0.00 0.00 56.93 56.47 2i2p s PHE 8 Cb -0.12 -1.07 0.06 0.00 -0.63 0.00 0.00 43.02 41.26 2i2p s PHE 8 CO -0.10 0.25 0.03 -1.64 -0.05 0.00 0.00 175.22 173.71 2i2p s MET 9 N -1.96 2.28 0.15 1.99 -1.94 -1.05 -2.81 119.30 115.95 2i2p s MET 9 Ca 0.09 -1.40 -0.16 0.00 -1.71 0.00 0.00 55.69 52.51 2i2p s MET 9 Cb -0.10 -3.22 -0.07 0.00 2.01 0.00 0.00 34.83 33.45 2i2p s MET 9 CO 0.05 -0.71 0.59 0.08 -0.01 0.00 0.00 175.02 175.02 2i2p s VAL 10 N 1.20 4.78 0.16 -6.03 1.01 -0.80 -1.00 120.40 119.72 2i2p s VAL 10 Ca -0.02 0.98 -0.34 0.00 0.00 0.00 0.00 61.98 62.60 2i2p s VAL 10 Cb -0.20 -3.78 -0.14 0.00 0.00 0.00 0.00 36.38 32.25 2i2p s VAL 10 CO -0.02 0.29 1.51 1.57 0.00 0.00 0.00 175.10 178.45 2i2p n HIS 11 N 0.93 2.15 -0.17 5.22 -0.00 -0.36 -0.89 115.22 122.10 2i2p n HIS 11 Ca -0.06 0.35 0.01 0.00 0.46 0.00 0.00 57.72 58.48 2i2p n HIS 11 Cb 0.51 -2.50 0.26 0.00 -0.12 0.00 0.00 29.99 28.15 2i2p n HIS 11 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2i2p h PRO 12 N 5.43 0.90 0.00 1.57 0.13 -1.86 -1.12 132.00 137.05 2i2p h PRO 12 Ca -0.45 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2i2p h PRO 12 Cb 1.27 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2i2p h PRO 12 CO 0.85 0.62 0.00 -0.25 -0.23 0.00 0.00 178.00 178.99 2i2p n ASP 13 N -4.41 0.03 -2.58 1.44 10.43 -1.26 -1.83 116.55 118.38 2i2p n ASP 13 Ca 0.07 0.51 -0.16 0.00 2.57 0.00 0.00 54.79 57.78 2i2p n ASP 13 Cb 0.06 -0.52 0.02 0.00 1.84 0.00 0.00 41.12 42.52 2i2p n ASP 13 CO 0.00 0.00 0.00 1.67 -1.07 0.00 0.00 177.20 177.80 2i2p n GLN 14 N -1.54 2.13 -0.07 -1.24 0.00 -0.43 -4.83 117.38 111.40 2i2p n GLN 14 Ca 0.01 -3.78 0.10 0.00 -0.00 0.00 0.00 57.00 53.33 2i2p n GLN 14 Cb 0.07 -1.68 0.39 0.00 0.00 0.00 0.00 30.24 29.02 2i2p n GLN 14 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2i2p n SER 15 N -0.26 1.27 0.06 1.69 2.88 -0.76 -3.91 113.62 114.59 2i2p n SER 15 Ca 0.22 -1.67 -0.12 0.00 -1.33 0.00 0.00 58.87 55.97 2i2p n SER 15 Cb 0.76 -0.09 -0.13 0.00 -0.75 0.00 0.00 64.21 64.00 2i2p n SER 15 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2i2p h GLU 16 N 1.67 0.13 0.00 -1.46 4.22 -1.88 -3.30 114.58 113.96 2i2p h GLU 16 Ca 0.00 -0.22 0.00 0.00 0.08 0.00 0.00 59.36 59.22 2i2p h GLU 16 Cb 0.37 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2i2p h GLU 16 CO 0.00 1.01 -0.19 0.94 -2.18 0.00 0.00 179.01 178.58 2i2p n GLN 17 N -3.38 0.18 -0.22 1.92 7.27 -1.25 -3.99 117.38 117.91 2i2p n GLN 17 Ca -0.09 0.11 0.02 0.00 0.07 0.00 0.00 57.00 57.11 2i2p n GLN 17 Cb 1.00 -1.67 0.11 0.00 2.41 0.00 0.00 30.24 32.10 2i2p n GLN 17 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2i2p h VAL 18 N 0.00 0.43 0.76 1.69 2.07 -1.75 0.58 116.25 120.03 2i2p h VAL 18 Ca 0.00 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 2i2p h VAL 18 Cb 0.66 0.32 0.01 0.00 -1.52 0.00 0.00 31.29 30.75 2i2p h VAL 18 CO 0.00 0.02 -0.36 1.55 0.02 0.00 0.00 177.57 178.79 2i2p h PRO 19 N 0.10 -0.98 -0.55 1.57 0.13 -1.81 -2.63 132.00 127.83 2i2p h PRO 19 Ca 0.35 0.07 0.05 0.00 -0.87 0.00 0.00 66.00 65.59 2i2p h PRO 19 Cb 0.58 0.22 -0.03 0.00 0.13 0.00 0.00 31.00 31.90 2i2p h PRO 19 CO -0.59 -0.64 0.37 0.78 -0.23 0.00 0.00 178.00 177.69 2i2p h GLY 20 N -1.11 0.69 0.55 1.56 0.00 -1.69 -2.50 103.07 100.57 2i2p h GLY 20 Ca -0.10 -0.23 0.04 0.00 0.00 0.00 0.00 47.33 47.03 2i2p h GLY 20 CO 0.17 0.19 -0.12 1.98 0.00 0.00 0.00 176.54 178.76 2i2p h MET 21 N 0.58 -0.15 -1.04 4.80 -1.53 0.32 -1.74 114.93 116.18 2i2p h MET 21 Ca 0.23 0.01 0.27 0.00 -3.44 0.00 0.00 59.70 56.77 2i2p h MET 21 Cb 0.18 0.03 -0.08 0.00 -0.55 0.00 0.00 31.60 31.18 2i2p h MET 21 CO -0.06 -0.10 0.68 0.82 0.14 0.00 0.00 176.91 178.39 2i2p h ILE 22 N -0.16 0.52 0.10 1.77 2.04 -1.07 -2.33 117.51 118.39 2i2p h ILE 22 Ca 0.08 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.85 2i2p h ILE 22 Cb 0.27 0.16 -0.05 0.00 -0.74 0.00 0.00 36.82 36.47 2i2p h ILE 22 CO -0.20 0.06 -0.39 -0.33 0.00 0.00 0.00 178.15 177.29 2i2p h GLU 23 N 0.33 -0.59 -0.91 2.37 5.08 -1.34 0.12 114.58 119.64 2i2p h GLU 23 Ca 0.57 0.04 0.23 0.00 -1.00 0.00 0.00 59.36 59.20 2i2p h GLU 23 Cb 1.58 0.13 -0.13 0.00 0.50 0.00 0.00 28.75 30.83 2i2p h GLU 23 CO -0.24 -0.39 0.40 -0.09 -1.00 0.00 0.00 179.01 177.69 2i2p h ARG 24 N -0.61 0.38 0.35 2.33 9.65 -1.49 0.16 114.38 125.14 2i2p h ARG 24 Ca 0.03 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.87 2i2p h ARG 24 Cb 0.65 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.15 2i2p h ARG 24 CO -0.24 0.25 -0.17 1.88 2.80 0.00 0.00 179.97 184.50 2i2p h TYR 25 N 0.39 -0.43 -0.82 2.20 0.99 -1.34 0.30 116.97 118.26 2i2p h TYR 25 Ca 0.57 -0.01 0.13 0.00 2.00 0.00 0.00 58.73 61.42 2i2p h TYR 25 Cb 1.10 0.14 -0.06 0.00 1.00 0.00 0.00 36.73 38.92 2i2p h TYR 25 CO -0.13 -0.14 0.54 1.79 -0.00 0.00 0.00 178.16 180.21 2i2p h THR 26 N -0.68 0.86 0.12 -2.88 1.35 0.80 -1.15 112.91 111.32 2i2p h THR 26 Ca -0.05 -0.21 -0.27 0.00 -0.55 0.00 0.00 66.41 65.33 2i2p h THR 26 Cb 0.48 0.18 0.01 0.00 -1.73 0.00 0.00 68.15 67.08 2i2p h THR 26 CO 0.08 0.11 -1.20 0.00 -0.25 0.00 0.00 175.52 174.26 2i2p h ALA 27 N 1.61 0.12 0.00 6.62 0.00 -0.61 -3.00 119.26 124.01 2i2p h ALA 27 Ca 0.40 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2i2p h ALA 27 Cb 0.67 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2i2p h ALA 27 CO -0.16 0.90 0.00 0.00 0.00 0.00 0.00 179.25 179.99 2i2p n ALA 28 N -2.56 1.79 0.00 0.00 0.00 0.10 -1.06 120.51 118.78 2i2p n ALA 28 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2i2p n ALA 28 Cb 0.99 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.44 2i2p n ALA 28 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2i2p n ILE 29 N 0.21 0.00 0.02 0.00 5.41 -1.16 -4.76 119.36 119.07 2i2p n ILE 29 Ca 0.00 -0.01 -0.01 0.00 1.00 0.00 0.00 62.75 63.73 2i2p n ILE 29 Cb 0.12 0.40 -0.00 0.00 -0.71 0.00 0.00 39.64 39.45 2i2p n ILE 29 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 2i2p h THR 30 N 0.00 0.00 0.00 1.39 2.02 -0.95 0.51 112.91 115.87 2i2p h THR 30 Ca 0.00 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 2i2p h THR 30 Cb 0.00 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.41 2i2p h THR 30 CO 0.00 0.00 -0.00 1.23 0.37 0.00 0.00 175.52 177.12 2i2p h GLY 31 N -0.10 0.00 -0.06 2.16 0.00 -1.91 0.22 103.07 103.40 2i2p h GLY 31 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2i2p h GLY 31 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.55 2i2p n ALA 32 N -2.10 2.58 -1.67 3.60 0.00 -1.24 -4.88 120.51 116.79 2i2p n ALA 32 Ca -0.03 -0.32 -0.20 0.00 0.00 0.00 0.00 53.44 52.89 2i2p n ALA 32 Cb 0.09 -1.22 -0.08 0.00 0.00 0.00 0.00 19.45 18.24 2i2p n ALA 32 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2i2p n GLU 33 N -0.26 -1.47 -0.41 0.00 -0.58 0.79 -4.70 120.64 113.99 2i2p n GLU 33 Ca 0.16 1.16 -0.04 0.00 -0.42 0.00 0.00 57.16 58.03 2i2p n GLU 33 Cb 0.20 -5.57 0.02 0.00 -0.57 0.00 0.00 31.44 25.53 2i2p n GLU 33 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2i2p n GLY 34 N -0.44 -0.70 3.28 0.62 0.00 0.18 -4.83 105.19 103.30 2i2p n GLY 34 Ca -0.21 -1.75 -0.11 0.00 0.00 0.00 0.00 46.02 43.96 2i2p n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i2p s LYS 35 N -3.23 0.97 -0.44 1.61 1.02 -1.26 -4.70 119.74 113.71 2i2p s LYS 35 Ca 0.10 -0.69 0.02 0.00 0.02 0.00 0.00 55.97 55.42 2i2p s LYS 35 Cb -0.00 0.42 0.13 0.00 -0.52 0.00 0.00 37.83 37.85 2i2p s LYS 35 CO 0.07 -0.35 0.21 0.42 -0.92 0.00 0.00 175.35 174.78 2i2p s ILE 36 N -3.48 1.67 -0.37 2.17 1.09 -1.26 -0.47 121.20 120.54 2i2p s ILE 36 Ca 0.01 -2.58 -0.02 0.00 -1.10 0.00 0.00 60.65 56.96 2i2p s ILE 36 Cb 0.02 -2.18 0.21 0.00 -1.06 0.00 0.00 42.46 39.45 2i2p s ILE 36 CO -0.09 -0.83 2.14 1.41 -0.10 0.00 0.00 174.94 177.46 2i2p n HIS 37 N 3.64 1.72 0.00 3.97 8.25 -1.08 -4.84 115.22 126.87 2i2p n HIS 37 Ca 0.06 -2.07 0.00 0.00 -0.26 0.00 0.00 57.72 55.45 2i2p n HIS 37 Cb 0.35 -1.07 0.00 0.00 1.12 0.00 0.00 29.99 30.39 2i2p n HIS 37 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 2i2p n ARG 38 N 0.31 0.00 0.00 -0.41 3.00 -1.24 -3.72 116.66 114.59 2i2p n ARG 38 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.21 2i2p n ARG 38 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.04 2i2p n ARG 38 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2i2p n LEU 39 N 0.00 0.00 -4.45 6.15 -0.00 -1.26 -4.51 117.00 112.93 2i2p n LEU 39 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.58 2i2p n LEU 39 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.39 2i2p n LEU 39 CO 0.00 0.00 0.86 -1.61 -0.00 0.00 0.00 177.39 176.64 2i2p s GLU 40 N 0.00 3.35 -1.35 1.96 0.41 -1.26 -4.85 118.70 116.95 2i2p s GLU 40 Ca 0.00 -1.31 -0.16 0.00 -0.41 0.00 0.00 54.97 53.10 2i2p s GLU 40 Cb 0.00 -4.59 0.07 0.00 -1.78 0.00 0.00 34.13 27.84 2i2p s GLU 40 CO 0.00 -1.79 1.91 -3.47 -0.49 0.00 0.00 175.26 171.42 2i2p n ASP 41 N 7.12 4.56 0.15 -0.19 2.03 -1.26 -0.66 116.55 128.29 2i2p n ASP 41 Ca 0.10 -2.91 0.06 0.00 0.52 0.00 0.00 54.79 52.57 2i2p n ASP 41 Cb 0.47 -1.69 0.34 0.00 -0.72 0.00 0.00 41.12 39.52 2i2p n ASP 41 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 2i2p n TRP 42 N 7.06 0.42 -2.18 -0.67 7.02 0.13 -4.87 117.44 124.35 2i2p n TRP 42 Ca 0.49 0.22 0.00 0.00 -1.02 0.00 0.00 57.50 57.19 2i2p n TRP 42 Cb 0.43 -0.66 0.00 0.00 -2.42 0.00 0.00 31.31 28.66 2i2p n TRP 42 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2i2p n GLY 43 N -1.28 2.89 3.81 6.99 0.00 -0.72 -4.63 105.19 112.24 2i2p n GLY 43 Ca -0.01 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 2i2p n GLY 43 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2i2p s ARG 44 N 0.00 3.63 -0.29 1.61 3.52 -1.25 -1.23 118.95 124.93 2i2p s ARG 44 Ca 0.00 1.23 -0.18 0.00 -0.13 0.00 0.00 55.73 56.65 2i2p s ARG 44 Cb 0.00 -2.08 0.16 0.00 -1.56 0.00 0.00 34.95 31.48 2i2p s ARG 44 CO 0.00 -0.56 1.10 0.50 -0.81 0.00 0.00 175.30 175.53 2i2p s ARG 45 N -3.70 0.28 0.44 5.12 3.52 -1.03 -4.91 118.95 118.68 2i2p s ARG 45 Ca 0.64 0.45 -0.25 0.00 -0.13 0.00 0.00 55.73 56.44 2i2p s ARG 45 Cb -0.15 0.08 -0.09 0.00 -1.56 0.00 0.00 34.95 33.23 2i2p s ARG 45 CO 0.28 -0.05 1.28 0.94 -0.81 0.00 0.00 175.30 176.94 2i2p n GLN 46 N 3.12 1.89 -3.72 5.12 -0.06 -1.26 -1.84 117.38 120.63 2i2p n GLN 46 Ca -0.16 0.68 -0.36 0.00 -2.00 0.00 0.00 57.00 55.16 2i2p n GLN 46 Cb 0.57 -2.42 -0.08 0.00 -4.06 0.00 0.00 30.24 24.26 2i2p n GLN 46 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2i2p s LEU 47 N -1.96 4.25 0.05 1.69 1.43 0.20 -4.84 118.68 119.49 2i2p s LEU 47 Ca 0.63 0.32 -0.21 0.00 -1.03 0.00 0.00 54.13 53.83 2i2p s LEU 47 Cb -0.49 -2.13 -0.10 0.00 0.03 0.00 0.00 46.19 43.49 2i2p s LEU 47 CO 0.57 0.21 1.33 0.00 0.23 0.00 0.00 176.35 178.68 2i2p h ALA 48 N 6.37 -1.02 -3.51 4.21 0.00 -1.94 -3.43 119.26 119.95 2i2p h ALA 48 Ca -0.43 -0.12 -0.67 0.00 0.00 0.00 0.00 54.91 53.68 2i2p h ALA 48 Cb 1.17 0.51 -0.16 0.00 0.00 0.00 0.00 17.79 19.31 2i2p h ALA 48 CO 0.73 -1.03 -0.68 1.52 0.00 0.00 0.00 179.25 179.79 2i2p s TYR 49 N -4.68 2.95 0.06 0.00 1.13 -1.26 -5.09 117.35 110.46 2i2p s TYR 49 Ca -0.11 -0.00 -0.31 0.00 -1.41 0.00 0.00 57.07 55.25 2i2p s TYR 49 Cb 0.02 -1.62 -0.07 0.00 -1.10 0.00 0.00 41.96 39.19 2i2p s TYR 49 CO 0.35 0.41 1.38 -1.25 -2.51 0.00 0.00 175.55 173.93 2i2p s PRO 50 N -1.51 4.31 -0.90 -3.49 0.04 -1.26 -4.97 135.00 127.23 2i2p s PRO 50 Ca 0.18 2.00 -0.05 0.00 0.04 0.00 0.00 61.00 63.16 2i2p s PRO 50 Cb -0.11 -3.41 0.23 0.00 0.04 0.00 0.00 34.50 31.24 2i2p s PRO 50 CO 0.09 -0.48 0.81 -1.50 0.04 0.00 0.00 177.00 175.96 2i2p s ILE 51 N 1.69 4.84 -0.99 0.56 2.07 -1.26 -4.68 121.20 123.43 2i2p s ILE 51 Ca 0.64 -3.43 -0.05 0.00 -1.41 0.00 0.00 60.65 56.40 2i2p s ILE 51 Cb -0.34 -3.99 -0.06 0.00 0.13 0.00 0.00 42.46 38.20 2i2p s ILE 51 CO 0.29 -1.07 0.88 0.59 -1.91 0.00 0.00 174.94 173.71 2i2p n ASN 52 N 2.82 -6.70 -0.45 4.50 3.02 -1.26 -4.79 115.26 112.40 2i2p n ASN 52 Ca 0.19 -0.62 0.05 0.00 -0.03 0.00 0.00 54.58 54.17 2i2p n ASN 52 Cb 0.39 -5.14 -0.03 0.00 -0.61 0.00 0.00 39.78 34.39 2i2p n ASN 52 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2i2p n LYS 53 N -3.02 -1.05 -0.91 3.52 4.76 -1.26 -5.08 118.16 115.11 2i2p n LYS 53 Ca -0.06 0.86 0.00 0.00 -2.87 0.00 0.00 58.31 56.24 2i2p n LYS 53 Cb 0.60 -1.21 0.00 0.00 -1.84 0.00 0.00 35.03 32.59 2i2p n LYS 53 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2i2p n LEU 54 N -2.66 -3.36 -2.15 -0.35 -0.00 -1.26 -4.90 117.00 102.32 2i2p n LEU 54 Ca -0.03 1.07 -0.25 0.00 -0.00 0.00 0.00 56.01 56.80 2i2p n LEU 54 Cb 0.21 -1.36 0.15 0.00 -0.00 0.00 0.00 43.42 42.42 2i2p n LEU 54 CO 0.01 -0.48 1.25 1.41 -0.00 0.00 0.00 177.39 179.58 2i2p n HIS 55 N 0.42 2.92 -3.50 1.96 8.25 -1.26 -4.15 115.22 119.86 2i2p n HIS 55 Ca 0.00 -2.19 -0.16 0.00 -0.26 0.00 0.00 57.72 55.11 2i2p n HIS 55 Cb 0.00 -1.04 -0.05 0.00 1.12 0.00 0.00 29.99 30.02 2i2p n HIS 55 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2i2p s LYS 56 N -3.46 1.10 0.00 -0.41 2.20 -1.26 0.62 119.74 118.53 2i2p s LYS 56 Ca 0.58 0.04 0.00 0.00 -0.36 0.00 0.00 55.97 56.23 2i2p s LYS 56 Cb 0.48 0.52 0.00 0.00 -1.51 0.00 0.00 37.83 37.32 2i2p s LYS 56 CO 0.06 -0.39 0.00 0.00 -0.36 0.00 0.00 175.35 174.67 2i2p n ALA 57 N 0.57 0.00 -3.73 3.13 0.00 -0.77 -4.34 120.51 115.38 2i2p n ALA 57 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.96 2i2p n ALA 57 Cb 0.59 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.91 2i2p n ALA 57 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2i2p s HIS 58 N -2.53 1.98 0.21 0.00 2.46 -0.07 -2.47 115.29 114.86 2i2p s HIS 58 Ca 0.00 -2.30 -0.30 0.00 0.47 0.00 0.00 55.06 52.94 2i2p s HIS 58 Cb 0.00 -1.88 -0.08 0.00 -0.13 0.00 0.00 32.58 30.49 2i2p s HIS 58 CO 0.00 -0.81 1.05 0.71 -2.47 0.00 0.00 174.74 173.22 2i2p s TYR 59 N 0.65 3.70 -0.24 3.88 1.51 -0.37 -1.91 117.35 124.58 2i2p s TYR 59 Ca 0.16 1.72 -0.03 0.00 -1.01 0.00 0.00 57.07 57.91 2i2p s TYR 59 Cb -0.23 -3.18 0.11 0.00 -0.11 0.00 0.00 41.96 38.54 2i2p s TYR 59 CO -0.05 -0.26 0.23 0.08 -1.11 0.00 0.00 175.55 174.45 2i2p s VAL 60 N -0.63 -0.32 0.97 0.71 1.01 -1.12 -0.69 120.40 120.33 2i2p s VAL 60 Ca 0.46 -0.31 -0.16 0.00 0.00 0.00 0.00 61.98 61.97 2i2p s VAL 60 Cb -0.28 -0.81 0.25 0.00 0.00 0.00 0.00 36.38 35.53 2i2p s VAL 60 CO 0.35 -0.35 0.56 0.18 0.00 0.00 0.00 175.10 175.84 2i2p n LEU 61 N 5.31 0.00 0.00 3.92 7.99 0.16 -3.84 117.00 130.54 2i2p n LEU 61 Ca -0.04 -0.57 0.00 0.00 -0.01 0.00 0.00 56.01 55.38 2i2p n LEU 61 Cb 0.48 -0.66 0.00 0.00 -0.11 0.00 0.00 43.42 43.13 2i2p n LEU 61 CO 0.05 -2.39 0.00 0.80 -1.51 0.00 0.00 177.39 174.34 2i2p n MET 62 N -4.36 0.00 -2.50 3.23 1.56 -1.11 -4.52 117.12 109.42 2i2p n MET 62 Ca 0.09 0.00 -0.06 0.00 -0.27 0.00 0.00 57.70 57.46 2i2p n MET 62 Cb 0.39 0.00 0.01 0.00 2.15 0.00 0.00 33.22 35.77 2i2p n MET 62 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 2i2p n ASN 63 N -0.35 -6.40 -4.32 6.12 4.13 -1.24 -3.73 115.26 109.47 2i2p n ASN 63 Ca 0.00 0.39 -0.16 0.00 1.68 0.00 0.00 54.58 56.49 2i2p n ASN 63 Cb 0.00 -4.25 0.05 0.00 -1.54 0.00 0.00 39.78 34.04 2i2p n ASN 63 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2i2p n VAL 64 N -0.36 0.00 0.00 2.41 0.31 -1.24 -2.63 118.33 116.81 2i2p n VAL 64 Ca 0.09 -1.57 0.00 0.00 -0.01 0.00 0.00 64.34 62.85 2i2p n VAL 64 Cb 0.34 -0.54 0.00 0.00 -0.91 0.00 0.00 33.84 32.73 2i2p n VAL 64 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2i2p n GLU 65 N -1.93 2.22 -1.14 5.55 2.13 0.38 -1.33 120.64 126.53 2i2p n GLU 65 Ca 0.11 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.55 2i2p n GLU 65 Cb 0.48 -0.77 0.02 0.00 0.27 0.00 0.00 31.44 31.44 2i2p n GLU 65 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2i2p n ALA 66 N -1.24 -3.97 -0.66 4.31 0.00 -1.26 -0.80 120.51 116.89 2i2p n ALA 66 Ca 0.00 -0.28 -0.31 0.00 0.00 0.00 0.00 53.44 52.85 2i2p n ALA 66 Cb 0.23 -1.29 0.18 0.00 0.00 0.00 0.00 19.45 18.57 2i2p n ALA 66 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2i2p n PRO 67 N 1.86 -0.98 -0.15 0.00 -0.04 -1.26 -3.77 135.00 130.66 2i2p n PRO 67 Ca 0.04 -0.24 -0.03 0.00 -0.04 0.00 0.00 63.50 63.23 2i2p n PRO 67 Cb 0.50 -2.14 0.06 0.00 -0.04 0.00 0.00 33.50 31.88 2i2p n PRO 67 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2i2p h GLN 68 N -2.01 0.23 -0.73 0.54 3.07 -1.89 -3.05 115.11 111.26 2i2p h GLN 68 Ca -0.48 -0.01 0.12 0.00 0.09 0.00 0.00 58.65 58.36 2i2p h GLN 68 Cb 1.30 -0.05 -0.13 0.00 0.08 0.00 0.00 27.48 28.68 2i2p h GLN 68 CO 0.41 0.15 -0.38 1.49 0.09 0.00 0.00 178.83 180.58 2i2p h GLU 69 N 0.23 -0.12 0.18 0.06 4.57 -1.99 0.20 114.58 117.72 2i2p h GLU 69 Ca 0.24 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.41 2i2p h GLU 69 Cb 0.31 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 2i2p h GLU 69 CO -0.31 -0.08 -0.09 0.28 -1.18 0.00 0.00 179.01 177.64 2i2p h VAL 70 N -0.12 0.90 -0.62 0.32 2.07 -1.90 -2.79 116.25 114.12 2i2p h VAL 70 Ca 0.25 -0.43 0.12 0.00 0.82 0.00 0.00 66.70 67.47 2i2p h VAL 70 Cb 0.56 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 2i2p h VAL 70 CO -0.79 0.10 0.42 0.16 0.02 0.00 0.00 177.57 177.48 2i2p h ILE 71 N -0.46 0.84 -0.97 4.57 -0.00 -1.35 0.23 117.51 120.38 2i2p h ILE 71 Ca -0.03 -0.12 0.01 0.00 -0.00 0.00 0.00 64.86 64.73 2i2p h ILE 71 Cb 0.35 0.48 -0.05 0.00 -0.00 0.00 0.00 36.82 37.60 2i2p h ILE 71 CO 0.04 0.06 0.64 -0.78 -0.00 0.00 0.00 178.15 178.11 2i2p h ASP 72 N 0.34 1.10 -0.96 2.16 3.58 -0.36 -1.61 116.42 120.67 2i2p h ASP 72 Ca 0.29 -0.03 0.09 0.00 0.42 0.00 0.00 57.03 57.81 2i2p h ASP 72 Cb 0.69 -0.27 -0.07 0.00 1.72 0.00 0.00 39.33 41.40 2i2p h ASP 72 CO -0.07 0.79 0.62 -0.08 -2.88 0.00 0.00 179.24 177.61 2i2p h GLU 73 N 1.29 0.99 -0.98 0.28 4.57 -0.32 -1.35 114.58 119.06 2i2p h GLU 73 Ca 0.36 -0.06 0.05 0.00 -1.18 0.00 0.00 59.36 58.53 2i2p h GLU 73 Cb -0.12 -0.22 -0.06 0.00 -0.16 0.00 0.00 28.75 28.18 2i2p h GLU 73 CO -0.09 0.65 0.63 1.25 -1.18 0.00 0.00 179.01 180.28 2i2p h LEU 74 N 1.02 1.04 -1.21 1.64 5.85 -1.16 -0.45 115.31 122.03 2i2p h LEU 74 Ca 0.44 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.14 2i2p h LEU 74 Cb 0.34 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 2i2p h LEU 74 CO -0.20 0.69 0.24 -0.33 -0.34 0.00 0.00 178.44 178.50 2i2p h GLU 75 N 1.19 0.78 -0.04 1.25 5.08 -1.18 0.13 114.58 121.80 2i2p h GLU 75 Ca 0.40 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 58.55 2i2p h GLU 75 Cb 0.07 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.18 2i2p h GLU 75 CO -0.14 0.63 -0.37 1.79 -1.00 0.00 0.00 179.01 179.91 2i2p h THR 76 N 0.78 1.45 -0.07 1.13 1.35 -1.15 -2.95 112.91 113.44 2i2p h THR 76 Ca 0.19 -1.85 -0.06 0.00 -0.55 0.00 0.00 66.41 64.13 2i2p h THR 76 Cb 0.13 2.47 -0.01 0.00 -1.73 0.00 0.00 68.15 69.01 2i2p h THR 76 CO -0.02 0.53 -0.25 0.71 -0.25 0.00 0.00 175.52 176.24 2i2p h THR 77 N -0.21 1.21 -0.61 6.82 1.35 -0.92 -2.68 112.91 117.87 2i2p h THR 77 Ca -0.04 -1.00 -0.07 0.00 -0.55 0.00 0.00 66.41 64.76 2i2p h THR 77 Cb 1.06 1.44 -0.02 0.00 -1.73 0.00 0.00 68.15 68.90 2i2p h THR 77 CO 0.08 0.30 0.12 -0.26 -0.25 0.00 0.00 175.52 175.50 2i2p h PHE 78 N 0.11 1.07 0.00 4.73 0.05 -0.74 -2.57 116.94 119.58 2i2p h PHE 78 Ca 0.02 -0.14 0.00 0.00 3.82 0.00 0.00 57.97 61.67 2i2p h PHE 78 Cb 0.51 -0.29 0.00 0.00 2.00 0.00 0.00 35.95 38.16 2i2p h PHE 78 CO 0.00 0.91 0.00 0.54 -0.18 0.00 0.00 178.31 179.58 2i2p n ARG 79 N -4.30 0.00 -0.35 1.51 1.74 -1.01 -3.52 116.66 110.72 2i2p n ARG 79 Ca 0.03 0.06 0.03 0.00 -0.77 0.00 0.00 57.85 57.21 2i2p n ARG 79 Cb 0.27 -1.02 0.10 0.00 -1.02 0.00 0.00 32.46 30.80 2i2p n ARG 79 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 2i2p h PHE 80 N 0.00 -0.69 -1.85 -1.55 0.04 -1.68 -3.34 116.94 107.85 2i2p h PHE 80 Ca 0.00 0.09 -0.54 0.00 2.80 0.00 0.00 57.97 60.32 2i2p h PHE 80 Cb 0.00 0.45 0.00 0.00 2.20 0.00 0.00 35.95 38.61 2i2p h PHE 80 CO 0.00 -0.41 1.55 1.21 -0.60 0.00 0.00 178.31 180.06 2i2p s ASN 81 N -5.28 5.06 0.00 2.17 3.84 -0.97 -4.79 114.94 114.97 2i2p s ASN 81 Ca -0.15 1.58 0.28 0.00 0.21 0.00 0.00 52.86 54.79 2i2p s ASN 81 Cb 0.24 -2.51 1.70 0.00 -0.55 0.00 0.00 41.25 40.13 2i2p s ASN 81 CO 0.76 -2.31 2.07 -0.90 -2.79 0.00 0.00 177.10 173.92 2i2p n ASP 82 N 13.31 0.00 0.26 -4.21 3.85 -1.26 -3.48 116.55 125.03 2i2p n ASP 82 Ca 0.32 -1.00 0.13 0.00 -0.71 0.00 0.00 54.79 53.53 2i2p n ASP 82 Cb 0.49 0.00 0.73 0.00 -1.35 0.00 0.00 41.12 40.99 2i2p n ASP 82 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2i2p h ALA 83 N 3.83 1.28 -4.21 2.12 0.00 -1.89 -3.42 119.26 116.97 2i2p h ALA 83 Ca 0.00 -0.10 -0.62 0.00 0.00 0.00 0.00 54.91 54.19 2i2p h ALA 83 Cb 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 17.79 17.47 2i2p h ALA 83 CO 0.00 0.14 -0.86 0.54 0.00 0.00 0.00 179.25 179.07 2i2p s VAL 84 N -4.18 1.69 0.00 0.00 0.11 -1.23 -1.23 120.40 115.56 2i2p s VAL 84 Ca -0.03 -0.89 0.00 0.00 -2.93 0.00 0.00 61.98 58.13 2i2p s VAL 84 Cb 0.13 -1.42 0.00 0.00 -1.53 0.00 0.00 36.38 33.56 2i2p s VAL 84 CO 0.58 0.48 0.00 2.30 -3.33 0.00 0.00 175.10 175.13 2i2p n ILE 85 N 2.80 0.00 -1.39 7.04 -5.35 -0.17 -4.91 119.36 117.37 2i2p n ILE 85 Ca -0.16 0.00 -0.37 0.00 -0.27 0.00 0.00 62.75 61.95 2i2p n ILE 85 Cb 0.53 0.00 0.06 0.00 -1.74 0.00 0.00 39.64 38.49 2i2p n ILE 85 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2i2p n ARG 86 N 0.00 0.49 -2.49 6.28 5.12 -1.26 -4.75 116.66 120.06 2i2p n ARG 86 Ca 0.00 0.21 -0.05 0.00 -1.93 0.00 0.00 57.85 56.07 2i2p n ARG 86 Cb 0.00 -1.94 -0.01 0.00 -1.16 0.00 0.00 32.46 29.34 2i2p n ARG 86 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2i2p n SER 87 N -0.49 -0.43 -3.65 0.55 2.88 -1.26 -2.53 113.62 108.69 2i2p n SER 87 Ca 0.12 -1.68 0.01 0.00 -1.33 0.00 0.00 58.87 55.98 2i2p n SER 87 Cb 0.49 0.83 -0.06 0.00 -0.75 0.00 0.00 64.21 64.72 2i2p n SER 87 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2i2p s MET 88 N -2.32 0.06 -0.30 -1.46 -1.94 -0.73 -4.94 119.30 107.67 2i2p s MET 88 Ca 0.11 0.09 -0.03 0.00 -1.71 0.00 0.00 55.69 54.15 2i2p s MET 88 Cb -0.00 0.02 0.10 0.00 2.01 0.00 0.00 34.83 36.96 2i2p s MET 88 CO 0.08 -0.01 0.13 0.54 -0.01 0.00 0.00 175.02 175.75 2i2p s VAL 89 N 0.79 0.18 0.55 -6.03 0.11 -1.26 -0.10 120.40 114.64 2i2p s VAL 89 Ca -0.04 -0.99 -0.02 0.00 -2.93 0.00 0.00 61.98 57.99 2i2p s VAL 89 Cb -0.03 -1.16 0.02 0.00 -1.53 0.00 0.00 36.38 33.68 2i2p s VAL 89 CO -0.11 -0.74 0.81 -0.04 -3.33 0.00 0.00 175.10 171.69 2i2p s MET 90 N 1.90 2.81 0.00 1.54 -1.94 -1.24 -4.93 119.30 117.44 2i2p s MET 90 Ca 0.10 -0.35 0.00 0.00 -1.71 0.00 0.00 55.69 53.73 2i2p s MET 90 Cb -0.17 -2.40 0.00 0.00 2.01 0.00 0.00 34.83 34.27 2i2p s MET 90 CO -0.31 -0.62 0.00 2.89 -0.01 0.00 0.00 175.02 176.97 2i2p n ARG 91 N -2.40 1.35 0.00 2.03 1.85 -1.26 -2.53 116.66 115.70 2i2p n ARG 91 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.89 2i2p n ARG 91 Cb 0.58 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.99 2i2p n ARG 91 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 2i2p n THR 92 N -0.13 0.00 -1.90 8.89 5.66 0.34 -3.86 114.28 123.29 2i2p n THR 92 Ca 0.00 0.54 -0.11 0.00 -3.05 0.00 0.00 64.05 61.43 2i2p n THR 92 Cb 0.00 -0.85 -0.02 0.00 -1.55 0.00 0.00 70.33 67.91 2i2p n THR 92 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2i2p n LYS 93 N -0.64 -0.84 -2.82 1.09 0.00 -1.26 -4.12 118.16 109.57 2i2p n LYS 93 Ca 0.00 0.66 -0.01 0.00 0.00 0.00 0.00 58.31 58.96 2i2p n LYS 93 Cb 0.00 -4.72 -0.01 0.00 0.00 0.00 0.00 35.03 30.31 2i2p n LYS 93 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 2i2p n HIS 94 N -3.55 -3.02 0.00 5.64 -0.00 -1.26 -4.76 115.22 108.26 2i2p n HIS 94 Ca -0.12 1.45 0.00 0.00 -0.00 0.00 0.00 57.72 59.05 2i2p n HIS 94 Cb 0.52 -3.19 0.00 0.00 -0.00 0.00 0.00 29.99 27.32 2i2p n HIS 94 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2i2p n ALA 95 N 1.13 -0.67 -3.87 1.57 0.00 -1.26 -4.96 120.51 112.44 2i2p n ALA 95 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.08 2i2p n ALA 95 Cb 0.22 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.51 2i2p n ALA 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2i2p s VAL 96 N 0.00 1.35 -0.15 0.00 -7.23 -1.26 -5.13 120.40 107.98 2i2p s VAL 96 Ca 0.00 -0.51 -0.09 0.00 -1.81 0.00 0.00 61.98 59.57 2i2p s VAL 96 Cb 0.00 -1.28 -0.05 0.00 0.56 0.00 0.00 36.38 35.61 2i2p s VAL 96 CO 0.00 0.42 0.16 -0.89 -0.31 0.00 0.00 175.10 174.48 2i2p s THR 97 N 1.41 5.43 0.09 5.32 2.01 -1.25 -4.53 115.64 124.13 2i2p s THR 97 Ca 0.01 0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.28 2i2p s THR 97 Cb -0.13 -3.46 0.00 0.00 0.01 0.00 0.00 72.50 68.92 2i2p s THR 97 CO -0.07 0.53 0.00 1.21 -0.69 0.00 0.00 174.62 175.60 2i2p n GLU 98 N 2.67 -0.82 0.00 4.92 2.13 -1.24 -4.97 120.64 123.33 2i2p n GLU 98 Ca -0.18 0.54 0.00 0.00 0.66 0.00 0.00 57.16 58.18 2i2p n GLU 98 Cb 0.53 -1.00 0.00 0.00 0.27 0.00 0.00 31.44 31.25 2i2p n GLU 98 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2i2p n ALA 99 N -0.84 0.00 -0.83 4.31 0.00 -1.26 -5.06 120.51 116.83 2i2p n ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2i2p n ALA 99 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 2i2p n ALA 99 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93