#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2p h ILE 20 N 0.00 0.08 -3.61 6.31 2.04 -1.99 -3.41 117.51 116.94 2i2p h ILE 20 Ca 0.00 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.71 2i2p h ILE 20 Cb 0.00 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.32 2i2p h ILE 20 CO 0.00 0.00 -0.12 -0.90 0.00 0.00 0.00 178.15 177.13 2i2p n ASP 21 N -3.10 1.27 -0.05 1.72 5.75 -1.26 -5.06 116.55 115.81 2i2p n ASP 21 Ca 0.09 -1.57 -0.06 0.00 -0.01 0.00 0.00 54.79 53.24 2i2p n ASP 21 Cb 0.98 0.24 -0.07 0.00 -1.03 0.00 0.00 41.12 41.23 2i2p n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2i2p n TYR 22 N -0.26 0.00 0.20 2.11 0.18 -1.26 -4.42 117.16 113.72 2i2p n TYR 22 Ca -0.02 0.00 0.11 0.00 1.88 0.00 0.00 57.90 59.86 2i2p n TYR 22 Cb 0.16 -0.49 0.56 0.00 -0.38 0.00 0.00 39.34 39.19 2i2p n TYR 22 CO 0.00 0.00 0.00 0.87 -2.08 0.00 0.00 176.86 175.65 2i2p h LYS 23 N 0.00 0.00 -1.25 -3.48 1.57 -1.96 -2.20 116.57 109.26 2i2p h LYS 23 Ca -0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2i2p h LYS 23 Cb 1.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.88 2i2p h LYS 23 CO -0.00 0.00 0.00 -3.47 -0.57 0.00 0.00 179.45 175.41 2i2p n ASP 24 N -2.32 1.04 -0.52 0.86 4.64 -1.26 -4.33 116.55 114.66 2i2p n ASP 24 Ca -0.01 -0.86 0.42 0.00 -1.38 0.00 0.00 54.79 52.96 2i2p n ASP 24 Cb 0.23 -0.21 0.68 0.00 -1.04 0.00 0.00 41.12 40.77 2i2p n ASP 24 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2i2p n ILE 25 N 0.64 -0.16 0.05 5.18 3.06 -0.83 -1.23 119.36 126.08 2i2p n ILE 25 Ca 0.00 1.60 -0.02 0.00 -2.50 0.00 0.00 62.75 61.83 2i2p n ILE 25 Cb 0.18 -2.64 -0.01 0.00 0.54 0.00 0.00 39.64 37.72 2i2p n ILE 25 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2i2p h ALA 26 N 1.32 -0.88 -0.12 1.51 0.00 -1.90 -2.74 119.26 116.46 2i2p h ALA 26 Ca 0.85 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.66 2i2p h ALA 26 Cb 2.95 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 20.76 2i2p h ALA 26 CO -0.30 -0.87 0.08 2.41 0.00 0.00 0.00 179.25 180.56 2i2p n THR 27 N -2.43 1.30 -0.00 0.00 -1.04 -0.37 -3.78 114.28 107.96 2i2p n THR 27 Ca -0.02 -0.25 -0.03 0.00 -2.04 0.00 0.00 64.05 61.71 2i2p n THR 27 Cb 0.05 -0.96 -0.01 0.00 -1.82 0.00 0.00 70.33 67.59 2i2p n THR 27 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2i2p n LEU 28 N 0.35 0.56 -0.04 -4.42 7.94 -0.36 -4.66 117.00 116.37 2i2p n LEU 28 Ca 0.07 0.08 0.24 0.00 -1.11 0.00 0.00 56.01 55.29 2i2p n LEU 28 Cb 0.63 -0.20 0.72 0.00 0.53 0.00 0.00 43.42 45.10 2i2p n LEU 28 CO 0.07 -0.18 1.22 0.07 -1.11 0.00 0.00 177.39 177.46 2i2p h LYS 29 N -0.12 0.00 -1.00 1.96 5.09 -1.58 0.17 116.57 121.09 2i2p h LYS 29 Ca -0.06 0.00 0.16 0.00 0.09 0.00 0.00 60.65 60.84 2i2p h LYS 29 Cb 0.76 0.00 -0.10 0.00 0.10 0.00 0.00 32.23 32.99 2i2p h LYS 29 CO -0.04 0.00 0.62 -2.95 -2.09 0.00 0.00 179.45 175.00 2i2p h ASN 30 N 0.00 0.85 0.15 7.07 7.08 -1.83 -1.29 115.58 127.61 2i2p h ASN 30 Ca 0.31 0.07 -0.22 0.00 -3.08 0.00 0.00 56.30 53.38 2i2p h ASN 30 Cb 1.47 -0.09 0.01 0.00 -2.08 0.00 0.00 38.32 37.63 2i2p h ASN 30 CO -0.00 0.37 -0.87 1.88 -2.08 0.00 0.00 177.43 176.73 2i2p h TYR 31 N 0.86 0.78 -4.02 4.14 -1.99 -1.26 -3.44 116.97 112.04 2i2p h TYR 31 Ca 0.54 -0.39 -0.47 0.00 2.00 0.00 0.00 58.73 60.42 2i2p h TYR 31 Cb 0.72 -0.10 0.01 0.00 2.00 0.00 0.00 36.73 39.35 2i2p h TYR 31 CO -0.00 1.20 0.38 0.96 -0.00 0.00 0.00 178.16 180.69 2i2p s ILE 32 N -3.47 3.97 0.31 -2.88 -4.36 -0.49 -2.96 121.20 111.33 2i2p s ILE 32 Ca -0.07 1.35 -0.05 0.00 -0.26 0.00 0.00 60.65 61.61 2i2p s ILE 32 Cb 0.09 -3.62 0.07 0.00 1.25 0.00 0.00 42.46 40.25 2i2p s ILE 32 CO 0.88 -0.15 0.39 1.07 0.24 0.00 0.00 174.94 177.37 2i2p n THR 33 N -0.46 0.00 -0.09 8.37 5.66 0.13 -4.90 114.28 123.00 2i2p n THR 33 Ca 0.07 -0.28 -0.08 0.00 -3.05 0.00 0.00 64.05 60.72 2i2p n THR 33 Cb 0.52 -1.74 0.09 0.00 -1.55 0.00 0.00 70.33 67.66 2i2p n THR 33 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 2i2p h GLU 34 N 0.00 0.77 0.00 1.09 4.39 -1.93 -2.57 114.58 116.33 2i2p h GLU 34 Ca -0.13 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.26 2i2p h GLU 34 Cb 0.36 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2i2p h GLU 34 CO 0.09 0.92 0.00 0.43 -1.16 0.00 0.00 179.01 179.29 2i2p n SER 35 N -4.12 0.00 0.00 1.42 7.64 -1.26 -4.52 113.62 112.79 2i2p n SER 35 Ca 0.00 -0.94 0.00 0.00 1.01 0.00 0.00 58.87 58.95 2i2p n SER 35 Cb 0.43 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 2i2p n SER 35 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2i2p n GLY 36 N 0.41 2.24 3.73 0.23 0.00 -0.97 -3.96 105.19 106.88 2i2p n GLY 36 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 2i2p n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i2p s LYS 37 N -0.31 4.42 0.21 1.61 1.02 -1.26 -4.60 119.74 120.82 2i2p s LYS 37 Ca 0.00 1.96 -0.30 0.00 0.02 0.00 0.00 55.97 57.65 2i2p s LYS 37 Cb 0.00 -3.24 -0.08 0.00 -0.52 0.00 0.00 37.83 33.99 2i2p s LYS 37 CO 0.00 -0.22 1.22 0.42 -0.92 0.00 0.00 175.35 175.84 2i2p s ILE 38 N 0.32 3.43 0.27 2.17 1.01 -1.26 0.20 121.20 127.35 2i2p s ILE 38 Ca 0.57 1.23 -0.29 0.00 0.00 0.00 0.00 60.65 62.16 2i2p s ILE 38 Cb -0.34 -3.79 -0.09 0.00 0.01 0.00 0.00 42.46 38.25 2i2p s ILE 38 CO 0.35 0.21 0.95 0.68 0.00 0.00 0.00 174.94 177.14 2i2p s VAL 39 N -0.19 4.07 0.00 2.92 -7.23 -1.16 -4.87 120.40 113.95 2i2p s VAL 39 Ca 0.53 1.95 0.00 0.00 -1.81 0.00 0.00 61.98 62.65 2i2p s VAL 39 Cb -0.34 -4.19 0.00 0.00 0.56 0.00 0.00 36.38 32.41 2i2p s VAL 39 CO 0.38 0.37 0.00 -2.65 -0.31 0.00 0.00 175.10 172.89 2i2p n PRO 40 N 1.14 0.00 0.00 4.82 -0.02 -1.26 -4.94 135.00 134.74 2i2p n PRO 40 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2i2p n PRO 40 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.96 2i2p n PRO 40 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2i2p n SER 41 N 0.00 0.00 0.05 2.55 7.64 -1.26 -4.54 113.62 118.06 2i2p n SER 41 Ca 0.00 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.93 2i2p n SER 41 Cb 0.00 0.00 0.24 0.00 -1.01 0.00 0.00 64.21 63.44 2i2p n SER 41 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2i2p n ARG 42 N -0.73 0.05 -0.01 1.43 1.85 -1.26 0.52 116.66 118.52 2i2p n ARG 42 Ca 0.00 0.49 0.06 0.00 -1.00 0.00 0.00 57.85 57.40 2i2p n ARG 42 Cb 0.00 -1.65 -0.09 0.00 -1.05 0.00 0.00 32.46 29.67 2i2p n ARG 42 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06 2i2p n ILE 43 N -1.75 0.02 0.01 8.89 -6.64 -1.26 -4.87 119.36 113.76 2i2p n ILE 43 Ca 0.00 -0.27 -0.00 0.00 -1.77 0.00 0.00 62.75 60.71 2i2p n ILE 43 Cb 0.05 0.21 -0.00 0.00 -1.44 0.00 0.00 39.64 38.46 2i2p n ILE 43 CO 0.00 0.00 0.00 0.41 -1.77 0.00 0.00 176.55 175.19 2i2p n THR 44 N -1.92 0.43 -1.10 7.28 -1.04 -0.04 -5.06 114.28 112.83 2i2p n THR 44 Ca -0.03 0.17 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 2i2p n THR 44 Cb 0.32 -1.28 0.00 0.00 -1.82 0.00 0.00 70.33 67.55 2i2p n THR 44 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2i2p n GLY 45 N 3.25 1.10 0.93 3.41 0.00 0.19 -4.93 105.19 109.13 2i2p n GLY 45 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2i2p n GLY 45 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2i2p n THR 46 N -1.97 0.45 -2.90 2.61 5.66 -1.26 -4.82 114.28 112.04 2i2p n THR 46 Ca 0.00 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.98 2i2p n THR 46 Cb 0.25 -0.69 -0.01 0.00 -1.55 0.00 0.00 70.33 68.33 2i2p n THR 46 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2i2p n ARG 47 N 0.67 -2.43 -0.03 1.09 1.74 -1.26 -3.91 116.66 112.53 2i2p n ARG 47 Ca 0.00 2.06 -0.01 0.00 -0.77 0.00 0.00 57.85 59.14 2i2p n ARG 47 Cb 0.24 -2.95 -0.01 0.00 -1.02 0.00 0.00 32.46 28.73 2i2p n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2i2p n ALA 48 N 1.67 -0.05 -0.50 7.54 0.00 -1.26 0.76 120.51 128.67 2i2p n ALA 48 Ca -0.12 0.07 0.41 0.00 0.00 0.00 0.00 53.44 53.80 2i2p n ALA 48 Cb 0.30 -0.01 0.70 0.00 0.00 0.00 0.00 19.45 20.43 2i2p n ALA 48 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2i2p h LYS 49 N 0.00 0.03 0.00 0.00 3.11 -2.02 0.79 116.57 118.48 2i2p h LYS 49 Ca 0.01 -0.00 -0.27 0.00 -2.81 0.00 0.00 60.65 57.58 2i2p h LYS 49 Cb 0.03 -0.01 -0.05 0.00 -1.00 0.00 0.00 32.23 31.21 2i2p h LYS 49 CO -0.07 0.02 -1.62 1.88 -2.81 0.00 0.00 179.45 176.85 2i2p h TYR 50 N 0.03 0.00 -0.98 1.91 -1.99 0.17 -3.36 116.97 112.75 2i2p h TYR 50 Ca 0.87 0.00 0.28 0.00 2.00 0.00 0.00 58.73 61.88 2i2p h TYR 50 Cb 2.90 0.00 -0.14 0.00 2.00 0.00 0.00 36.73 41.49 2i2p h TYR 50 CO -0.00 0.95 0.52 0.37 -0.00 0.00 0.00 178.16 180.00 2i2p h GLN 51 N 0.00 0.38 -0.09 4.88 5.75 0.73 0.02 115.11 126.78 2i2p h GLN 51 Ca -0.25 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.25 2i2p h GLN 51 Cb 1.95 -0.09 -0.06 0.00 1.07 0.00 0.00 27.48 30.35 2i2p h GLN 51 CO 0.08 0.25 -0.54 0.00 -2.65 0.00 0.00 178.83 175.97 2i2p h ARG 52 N 0.40 -0.59 -0.61 1.69 3.08 -1.67 0.19 114.38 116.87 2i2p h ARG 52 Ca 0.67 0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.75 2i2p h ARG 52 Cb 1.42 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 31.57 2i2p h ARG 52 CO -0.57 -0.39 0.33 1.96 -1.07 0.00 0.00 179.97 180.23 2i2p h GLN 53 N -0.61 0.84 0.42 0.04 4.20 -1.30 -2.33 115.11 116.38 2i2p h GLN 53 Ca 0.03 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 2i2p h GLN 53 Cb 0.70 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.31 2i2p h GLN 53 CO -0.41 0.63 -0.24 1.25 -0.67 0.00 0.00 178.83 179.39 2i2p h LEU 54 N 0.85 -0.59 -0.60 1.46 5.85 0.38 0.08 115.31 122.73 2i2p h LEU 54 Ca 0.22 0.03 0.08 0.00 0.84 0.00 0.00 57.88 59.05 2i2p h LEU 54 Cb 0.03 0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.16 2i2p h LEU 54 CO -0.03 -0.38 0.25 0.00 -0.34 0.00 0.00 178.44 177.93 2i2p h ALA 55 N -1.60 0.77 -0.25 1.25 0.00 -0.68 -1.34 119.26 117.42 2i2p h ALA 55 Ca -0.06 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2i2p h ALA 55 Cb 0.48 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2i2p h ALA 55 CO 0.07 -0.16 0.16 0.00 0.00 0.00 0.00 179.25 179.33 2i2p h ARG 56 N 0.45 0.33 -0.19 0.00 3.08 -1.42 -1.74 114.38 114.90 2i2p h ARG 56 Ca 0.29 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.34 2i2p h ARG 56 Cb 0.32 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 2i2p h ARG 56 CO -0.27 0.24 0.05 0.00 -1.07 0.00 0.00 179.97 178.92 2i2p h ALA 57 N 1.07 0.20 0.60 0.04 0.00 -0.46 -2.25 119.26 118.46 2i2p h ALA 57 Ca 0.09 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2i2p h ALA 57 Cb -0.02 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2i2p h ALA 57 CO -0.02 -0.38 -0.39 0.82 0.00 0.00 0.00 179.25 179.28 2i2p h ILE 58 N 0.13 0.21 -0.14 0.00 2.04 -1.11 -1.33 117.51 117.32 2i2p h ILE 58 Ca 0.08 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.98 2i2p h ILE 58 Cb 0.06 0.21 -0.07 0.00 -0.74 0.00 0.00 36.82 36.29 2i2p h ILE 58 CO -0.10 0.00 -0.44 0.11 0.00 0.00 0.00 178.15 177.72 2i2p h LYS 59 N -0.94 -0.49 -0.01 2.37 1.57 -1.27 0.63 116.57 118.43 2i2p h LYS 59 Ca -0.07 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2i2p h LYS 59 Cb 0.77 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.19 2i2p h LYS 59 CO 0.06 -0.33 0.02 0.07 -0.57 0.00 0.00 179.45 178.70 2i2p h ARG 60 N -0.51 0.00 0.07 3.15 0.11 -1.40 -2.52 114.38 113.28 2i2p h ARG 60 Ca 0.07 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.97 2i2p h ARG 60 Cb 0.64 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.74 2i2p h ARG 60 CO -0.41 0.00 -0.72 0.00 0.10 0.00 0.00 179.97 178.94 2i2p h ALA 61 N 1.98 -0.01 -0.53 0.08 0.00 0.25 -3.26 119.26 117.77 2i2p h ALA 61 Ca 0.00 -0.64 0.15 0.00 0.00 0.00 0.00 54.91 54.43 2i2p h ALA 61 Cb 0.04 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2i2p h ALA 61 CO -0.00 0.37 0.47 0.00 0.00 0.00 0.00 179.25 180.09 2i2p h ARG 62 N -0.22 0.00 0.00 0.00 3.08 -0.63 0.44 114.38 117.05 2i2p h ARG 62 Ca -0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.94 2i2p h ARG 62 Cb 1.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.54 2i2p h ARG 62 CO 0.14 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.70 2i2p n TYR 63 N -3.99 0.55 -0.65 3.04 0.53 -1.22 -2.17 117.16 113.25 2i2p n TYR 63 Ca 0.10 0.20 0.08 0.00 -1.02 0.00 0.00 57.90 57.26 2i2p n TYR 63 Cb 0.68 -0.82 0.31 0.00 -1.03 0.00 0.00 39.34 38.48 2i2p n TYR 63 CO 0.00 0.00 0.00 -0.11 -1.02 0.00 0.00 176.86 175.73 2i2p n LEU 64 N -1.98 4.41 0.00 7.72 7.94 0.15 -4.91 117.00 130.33 2i2p n LEU 64 Ca 0.04 -2.53 0.00 0.00 -1.11 0.00 0.00 56.01 52.40 2i2p n LEU 64 Cb 0.26 -0.53 0.00 0.00 0.53 0.00 0.00 43.42 43.69 2i2p n LEU 64 CO 0.21 0.76 0.00 -0.24 -1.11 0.00 0.00 177.39 177.01 2i2p n SER 65 N 0.67 -1.82 0.21 1.96 2.88 -0.92 -4.80 113.62 111.80 2i2p n SER 65 Ca 0.23 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.81 2i2p n SER 65 Cb 0.85 -2.04 0.45 0.00 -0.75 0.00 0.00 64.21 62.72 2i2p n SER 65 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2i2p h LEU 66 N 0.00 0.00 -7.80 2.46 3.38 -1.76 -3.43 115.31 108.16 2i2p h LEU 66 Ca 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 2i2p h LEU 66 Cb 0.25 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 40.76 2i2p h LEU 66 CO 0.00 0.25 -0.65 -0.76 0.09 0.00 0.00 178.44 177.37 2i2p s LEU 67 N -8.47 1.94 0.15 1.67 1.02 -1.26 -4.98 118.68 108.75 2i2p s LEU 67 Ca -0.03 -0.17 -0.30 0.00 0.02 0.00 0.00 54.13 53.65 2i2p s LEU 67 Cb 0.15 0.21 -0.07 0.00 0.02 0.00 0.00 46.19 46.51 2i2p s LEU 67 CO 0.71 -0.17 1.06 -2.16 0.02 0.00 0.00 176.35 175.80 2i2p s PRO 68 N -0.73 4.62 0.56 1.29 0.04 -1.26 -4.29 135.00 135.23 2i2p s PRO 68 Ca -0.08 1.62 0.28 0.00 0.04 0.00 0.00 61.00 62.86 2i2p s PRO 68 Cb -0.05 -3.32 1.65 0.00 0.04 0.00 0.00 34.50 32.82 2i2p s PRO 68 CO -0.00 0.10 2.18 -0.92 0.04 0.00 0.00 177.00 178.40 2i2p h TYR 69 N 5.39 0.00 -1.58 0.56 3.20 -1.86 -3.44 116.97 119.24 2i2p h TYR 69 Ca -0.44 0.00 0.17 0.00 3.14 0.00 0.00 58.73 61.60 2i2p h TYR 69 Cb 1.21 0.00 -0.21 0.00 1.54 0.00 0.00 36.73 39.27 2i2p h TYR 69 CO 0.64 0.05 0.69 -0.08 -1.64 0.00 0.00 178.16 177.81 2i2p s THR 70 N -4.52 0.00 0.09 1.81 -1.32 -1.26 -4.76 115.64 105.68 2i2p s THR 70 Ca -0.04 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.20 2i2p s THR 70 Cb 0.15 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 70.05 2i2p s THR 70 CO 0.57 0.00 1.39 0.44 -2.21 0.00 0.00 174.62 174.81 2i2p h ASP 71 N 2.19 -1.29 -1.04 8.08 5.19 -1.79 -1.65 116.42 126.11 2i2p h ASP 71 Ca -0.14 0.16 0.29 0.00 -0.62 0.00 0.00 57.03 56.72 2i2p h ASP 71 Cb 1.18 0.52 -0.13 0.00 0.18 0.00 0.00 39.33 41.08 2i2p h ASP 71 CO 0.27 -0.32 0.63 0.03 -3.12 0.00 0.00 179.24 176.73 2i2p h ARG 72 N -0.35 0.39 0.00 3.56 -0.00 -1.96 -3.52 114.38 112.50 2i2p h ARG 72 Ca 0.04 -0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.49 2i2p h ARG 72 Cb 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 29.97 30.34 2i2p h ARG 72 CO -0.37 0.26 0.00 0.72 0.00 0.00 0.00 179.97 180.58