#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2p n ILE 4 N 0.00 0.00 0.00 3.15 -5.35 -1.26 -4.05 119.36 111.85 2i2p n ILE 4 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2i2p n ILE 4 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 2i2p n ILE 4 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 2i2p n ARG 5 N 0.00 0.00 -0.94 6.28 0.63 -1.26 -5.17 116.66 116.20 2i2p n ARG 5 Ca 0.00 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.05 2i2p n ARG 5 Cb 0.00 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.88 2i2p n ARG 5 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2i2p n THR 6 N -0.33 0.00 -3.65 5.15 -2.24 -1.25 -4.98 114.28 106.99 2i2p n THR 6 Ca 0.00 0.09 -0.06 0.00 -2.27 0.00 0.00 64.05 61.80 2i2p n THR 6 Cb 0.00 -0.39 -0.07 0.00 -2.10 0.00 0.00 70.33 67.77 2i2p n THR 6 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2i2p s LEU 7 N -4.98 -0.91 -0.23 3.22 0.05 -1.15 -4.83 118.68 109.84 2i2p s LEU 7 Ca 0.00 1.48 -0.04 0.00 0.05 0.00 0.00 54.13 55.62 2i2p s LEU 7 Cb 0.00 2.29 -0.12 0.00 -2.05 0.00 0.00 46.19 46.31 2i2p s LEU 7 CO 0.00 -0.23 2.20 0.00 -0.55 0.00 0.00 176.35 177.77 2i2p n GLN 8 N 4.49 1.35 -0.29 1.48 6.02 -1.22 -1.51 117.38 127.71 2i2p n GLN 8 Ca -0.19 -0.78 -0.31 0.00 -0.01 0.00 0.00 57.00 55.71 2i2p n GLN 8 Cb 0.57 -1.95 0.30 0.00 1.02 0.00 0.00 30.24 30.18 2i2p n GLN 8 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2i2p n GLY 9 N 2.99 -3.89 3.36 1.08 0.00 0.25 -4.35 105.19 104.64 2i2p n GLY 9 Ca 0.29 -1.31 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 2i2p n GLY 9 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2i2p s ARG 10 N -5.14 3.47 -1.26 1.61 6.06 -1.24 -1.74 118.95 120.70 2i2p s ARG 10 Ca 0.68 -0.59 -0.13 0.00 -2.50 0.00 0.00 55.73 53.20 2i2p s ARG 10 Cb -0.12 -3.04 -0.05 0.00 0.06 0.00 0.00 34.95 31.80 2i2p s ARG 10 CO 0.57 -0.11 2.35 0.28 -2.50 0.00 0.00 175.30 175.88 2i2p n VAL 11 N 4.58 3.17 -0.26 7.11 0.31 -1.26 -2.45 118.33 129.52 2i2p n VAL 11 Ca -0.18 -2.30 0.16 0.00 -0.01 0.00 0.00 64.34 62.02 2i2p n VAL 11 Cb 0.51 -2.46 0.45 0.00 -0.91 0.00 0.00 33.84 31.43 2i2p n VAL 11 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 2i2p h VAL 12 N 3.71 0.72 -3.16 2.52 3.04 -1.79 -3.38 116.25 117.91 2i2p h VAL 12 Ca 0.61 -0.18 -0.65 0.00 -1.01 0.00 0.00 66.70 65.47 2i2p h VAL 12 Cb 0.45 0.15 -0.18 0.00 -2.01 0.00 0.00 31.29 29.70 2i2p h VAL 12 CO 1.79 0.10 -0.80 -0.44 -1.01 0.00 0.00 177.57 177.20 2i2p s SER 13 N -5.64 3.61 0.00 3.17 0.01 -0.64 -4.89 113.70 109.32 2i2p s SER 13 Ca -0.09 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.37 2i2p s SER 13 Cb 0.23 -0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.10 2i2p s SER 13 CO 0.79 0.12 0.00 -0.67 0.41 0.00 0.00 173.24 173.88 2i2p n ASP 14 N 0.22 0.00 0.00 2.44 -0.08 -1.26 -3.26 116.55 114.61 2i2p n ASP 14 Ca -0.12 -0.61 0.01 0.00 -1.51 0.00 0.00 54.79 52.56 2i2p n ASP 14 Cb 0.56 0.00 0.05 0.00 2.34 0.00 0.00 41.12 44.07 2i2p n ASP 14 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2i2p n LYS 15 N 0.00 0.11 -3.05 -0.67 4.81 -1.26 -4.59 118.16 113.51 2i2p n LYS 15 Ca 0.00 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.25 2i2p n LYS 15 Cb 0.15 -1.22 0.04 0.00 0.02 0.00 0.00 35.03 34.02 2i2p n LYS 15 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 2i2p n MET 16 N -0.72 0.69 -4.60 1.64 2.81 -1.26 -5.12 117.12 110.56 2i2p n MET 16 Ca 0.01 -2.88 -0.33 0.00 -1.81 0.00 0.00 57.70 52.69 2i2p n MET 16 Cb 0.01 -0.02 -0.16 0.00 -0.71 0.00 0.00 33.22 32.34 2i2p n MET 16 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2i2p s GLU 17 N -4.22 3.15 -0.57 0.03 2.02 -1.26 -4.57 118.70 113.28 2i2p s GLU 17 Ca 0.45 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.65 2i2p s GLU 17 Cb -0.04 -2.56 0.00 0.00 0.10 0.00 0.00 34.13 31.64 2i2p s GLU 17 CO 0.28 0.01 0.00 1.63 0.02 0.00 0.00 175.26 177.21 2i2p n LYS 18 N 4.04 -1.54 -3.88 1.61 5.02 -1.24 -4.92 118.16 117.24 2i2p n LYS 18 Ca -0.19 0.63 -0.10 0.00 -2.02 0.00 0.00 58.31 56.63 2i2p n LYS 18 Cb 0.52 -4.89 -0.09 0.00 -0.02 0.00 0.00 35.03 30.55 2i2p n LYS 18 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2i2p s SER 19 N -2.25 0.10 -0.24 4.39 1.04 -1.26 0.17 113.70 115.65 2i2p s SER 19 Ca 0.00 -0.45 -0.09 0.00 0.48 0.00 0.00 55.95 55.89 2i2p s SER 19 Cb 0.00 0.26 0.10 0.00 0.10 0.00 0.00 66.02 66.48 2i2p s SER 19 CO 0.00 -0.54 0.53 0.27 0.98 0.00 0.00 173.24 174.48 2i2p s ILE 20 N -2.62 -0.66 0.10 -1.02 -5.25 -0.56 -4.30 121.20 106.89 2i2p s ILE 20 Ca -0.05 0.08 -0.31 0.00 -0.99 0.00 0.00 60.65 59.39 2i2p s ILE 20 Cb -0.01 -0.82 -0.07 0.00 2.95 0.00 0.00 42.46 44.51 2i2p s ILE 20 CO -0.04 0.03 1.35 -0.69 -1.79 0.00 0.00 174.94 173.81 2i2p s VAL 21 N 2.52 3.47 -0.08 8.37 1.01 -1.20 -1.64 120.40 132.85 2i2p s VAL 21 Ca -0.05 1.04 0.00 0.00 0.00 0.00 0.00 61.98 62.98 2i2p s VAL 21 Cb -0.11 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.62 2i2p s VAL 21 CO -0.16 0.08 -0.06 -0.69 0.00 0.00 0.00 175.10 174.26 2i2p s VAL 22 N 1.17 0.81 -0.49 2.92 1.01 0.81 -1.62 120.40 125.00 2i2p s VAL 22 Ca 0.63 -0.21 -0.17 0.00 0.00 0.00 0.00 61.98 62.23 2i2p s VAL 22 Cb -0.35 -0.83 0.08 0.00 0.00 0.00 0.00 36.38 35.27 2i2p s VAL 22 CO 0.30 0.31 0.48 0.00 0.00 0.00 0.00 175.10 176.19 2i2p s ALA 23 N 1.33 3.51 0.10 5.51 0.00 -1.02 0.10 121.76 131.30 2i2p s ALA 23 Ca -0.03 -2.05 -0.29 0.00 0.00 0.00 0.00 51.96 49.58 2i2p s ALA 23 Cb -0.14 -3.19 -0.06 0.00 0.00 0.00 0.00 23.12 19.74 2i2p s ALA 23 CO -0.03 -1.86 0.93 0.42 0.00 0.00 0.00 175.76 175.22 2i2p s ILE 24 N 1.96 4.54 0.33 0.00 1.09 -0.71 -3.72 121.20 124.69 2i2p s ILE 24 Ca 0.07 2.01 -0.22 0.00 -1.10 0.00 0.00 60.65 61.42 2i2p s ILE 24 Cb -0.23 -4.29 -0.10 0.00 -1.06 0.00 0.00 42.46 36.78 2i2p s ILE 24 CO 0.08 0.32 0.87 -1.61 -0.10 0.00 0.00 174.94 174.50 2i2p s GLU 25 N -0.01 4.32 0.06 2.79 0.41 -1.26 0.13 118.70 125.14 2i2p s GLU 25 Ca 0.46 1.07 -0.14 0.00 -0.41 0.00 0.00 54.97 55.95 2i2p s GLU 25 Cb -0.23 -2.58 0.02 0.00 -1.78 0.00 0.00 34.13 29.57 2i2p s GLU 25 CO 0.29 0.19 0.32 0.50 -0.49 0.00 0.00 175.26 176.07 2i2p s ARG 26 N -2.51 0.85 0.36 1.61 3.52 -1.11 -4.92 118.95 116.75 2i2p s ARG 26 Ca 0.53 -0.55 0.09 0.00 -0.13 0.00 0.00 55.73 55.67 2i2p s ARG 26 Cb -0.14 0.37 -0.07 0.00 -1.56 0.00 0.00 34.95 33.55 2i2p s ARG 26 CO 0.19 -0.28 -0.07 -0.06 -0.81 0.00 0.00 175.30 174.27 2i2p s PHE 27 N -2.79 2.43 0.00 5.12 0.08 -1.26 0.11 117.98 121.68 2i2p s PHE 27 Ca -0.03 -0.53 0.00 0.00 0.12 0.00 0.00 56.93 56.48 2i2p s PHE 27 Cb -0.00 -1.47 0.00 0.00 -0.57 0.00 0.00 43.02 40.98 2i2p s PHE 27 CO -0.05 0.55 0.00 1.55 -0.10 0.00 0.00 175.22 177.17 2i2p n VAL 28 N -0.84 0.00 -2.79 -0.44 3.14 -1.03 -4.93 118.33 111.45 2i2p n VAL 28 Ca -0.05 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 60.93 2i2p n VAL 28 Cb 0.64 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.37 2i2p n VAL 28 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2i2p s LYS 29 N -1.18 4.77 0.10 1.45 -0.14 -1.26 -1.46 119.74 122.02 2i2p s LYS 29 Ca 0.00 1.42 -0.31 0.00 -1.36 0.00 0.00 55.97 55.72 2i2p s LYS 29 Cb 0.00 -3.30 -0.09 0.00 -1.68 0.00 0.00 37.83 32.75 2i2p s LYS 29 CO 0.00 0.44 1.69 -1.58 -0.76 0.00 0.00 175.35 175.14 2i2p s HIS 30 N -0.85 2.46 -1.82 3.18 5.65 -1.14 -4.77 115.29 118.00 2i2p s HIS 30 Ca 0.42 0.28 0.00 0.00 0.25 0.00 0.00 55.06 56.00 2i2p s HIS 30 Cb -0.25 -4.02 0.00 0.00 -1.18 0.00 0.00 32.58 27.13 2i2p s HIS 30 CO 0.30 -4.07 0.15 -0.35 -0.65 0.00 0.00 174.74 170.12 2i2p n PRO 31 N 5.34 0.16 0.00 2.88 -0.04 -1.26 -1.71 135.00 140.37 2i2p n PRO 31 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2i2p n PRO 31 Cb 0.39 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 2i2p n PRO 31 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2i2p n ILE 32 N -0.33 0.00 0.27 0.52 5.41 -1.26 -4.91 119.36 119.06 2i2p n ILE 32 Ca 0.00 0.00 0.15 0.00 1.00 0.00 0.00 62.75 63.90 2i2p n ILE 32 Cb 0.01 -0.00 0.47 0.00 -0.71 0.00 0.00 39.64 39.41 2i2p n ILE 32 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 2i2p h TYR 33 N 0.00 0.00 -5.05 1.39 0.99 -1.98 -3.48 116.97 108.83 2i2p h TYR 33 Ca 0.00 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.74 2i2p h TYR 33 Cb 0.00 0.00 -0.09 0.00 1.00 0.00 0.00 36.73 37.64 2i2p h TYR 33 CO 0.00 0.00 -1.43 0.41 -0.00 0.00 0.00 178.16 177.14 2i2p n GLY 34 N 0.48 -5.01 3.57 3.88 0.00 -0.69 -4.93 105.19 102.49 2i2p n GLY 34 Ca 0.02 1.42 -0.02 0.00 0.00 0.00 0.00 46.02 47.45 2i2p n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2i2p s LYS 35 N -0.97 0.43 0.05 1.61 2.20 -1.26 -4.75 119.74 117.05 2i2p s LYS 35 Ca -0.20 0.88 -0.31 0.00 -0.36 0.00 0.00 55.97 55.98 2i2p s LYS 35 Cb 0.01 0.31 -0.10 0.00 -1.51 0.00 0.00 37.83 36.54 2i2p s LYS 35 CO 0.80 -0.11 1.93 1.19 -0.36 0.00 0.00 175.35 178.79 2i2p n PHE 36 N 4.42 2.53 -4.46 4.03 3.01 -1.26 -2.86 117.46 122.87 2i2p n PHE 36 Ca -0.15 -0.28 -0.24 0.00 1.01 0.00 0.00 57.45 57.79 2i2p n PHE 36 Cb 0.55 -2.77 -0.13 0.00 -0.01 0.00 0.00 39.48 37.12 2i2p n PHE 36 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2i2p s ILE 37 N 3.93 1.62 0.38 4.37 1.01 -0.53 -4.91 121.20 127.07 2i2p s ILE 37 Ca 0.87 -1.32 -0.16 0.00 0.00 0.00 0.00 60.65 60.05 2i2p s ILE 37 Cb -0.47 -1.44 -0.09 0.00 0.01 0.00 0.00 42.46 40.47 2i2p s ILE 37 CO 0.42 0.07 0.81 -1.59 0.00 0.00 0.00 174.94 174.65 2i2p s LYS 38 N -1.48 4.00 0.00 2.79 -2.85 -1.26 -2.47 119.74 118.48 2i2p s LYS 38 Ca 0.06 0.76 0.00 0.00 -1.00 0.00 0.00 55.97 55.79 2i2p s LYS 38 Cb -0.09 -2.34 -0.00 0.00 -2.06 0.00 0.00 37.83 33.34 2i2p s LYS 38 CO 0.03 0.04 0.00 -2.13 0.10 0.00 0.00 175.35 173.38 2i2p n ARG 39 N -0.73 0.25 -3.94 1.78 0.63 0.31 -4.92 116.66 110.05 2i2p n ARG 39 Ca 0.04 -0.02 -0.09 0.00 -0.92 0.00 0.00 57.85 56.86 2i2p n ARG 39 Cb 0.54 0.01 -0.09 0.00 0.45 0.00 0.00 32.46 33.37 2i2p n ARG 39 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2i2p s THR 40 N -1.88 0.14 -0.42 5.15 2.01 -1.25 -2.76 115.64 116.63 2i2p s THR 40 Ca 0.00 -1.14 0.05 0.00 0.31 0.00 0.00 61.69 60.92 2i2p s THR 40 Cb 0.00 -0.91 0.19 0.00 0.01 0.00 0.00 72.50 71.79 2i2p s THR 40 CO 0.00 -0.63 0.44 0.41 -0.69 0.00 0.00 174.62 174.15 2i2p n THR 41 N 0.75 -0.95 -2.25 -0.82 -1.04 0.12 -4.83 114.28 105.26 2i2p n THR 41 Ca -0.19 -3.31 -0.43 0.00 -2.04 0.00 0.00 64.05 58.08 2i2p n THR 41 Cb 0.59 -1.41 -0.02 0.00 -1.82 0.00 0.00 70.33 67.67 2i2p n THR 41 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2i2p s LYS 42 N -0.18 3.78 0.28 -2.82 1.02 -1.23 -1.74 119.74 118.86 2i2p s LYS 42 Ca 0.33 1.40 0.10 0.00 0.02 0.00 0.00 55.97 57.83 2i2p s LYS 42 Cb 0.08 -3.99 -0.05 0.00 -0.52 0.00 0.00 37.83 33.35 2i2p s LYS 42 CO -0.17 -1.30 -0.16 -0.51 -0.92 0.00 0.00 175.35 172.30 2i2p s LEU 43 N 5.04 2.60 -1.00 3.17 1.02 0.12 -4.88 118.68 124.75 2i2p s LEU 43 Ca 0.65 -1.08 -0.07 0.00 0.02 0.00 0.00 54.13 53.65 2i2p s LEU 43 Cb -0.20 -0.96 0.25 0.00 0.02 0.00 0.00 46.19 45.30 2i2p s LEU 43 CO 0.28 -0.08 0.95 -1.00 0.02 0.00 0.00 176.35 176.51 2i2p s HIS 44 N -2.66 4.08 1.00 0.29 3.76 -1.26 -0.13 115.29 120.36 2i2p s HIS 44 Ca 0.29 -2.72 -0.12 0.00 -0.15 0.00 0.00 55.06 52.36 2i2p s HIS 44 Cb -0.02 -3.64 0.19 0.00 1.11 0.00 0.00 32.58 30.22 2i2p s HIS 44 CO 0.13 -0.89 1.08 0.08 -0.85 0.00 0.00 174.74 174.30 2i2p s VAL 45 N -1.09 2.28 -0.06 -0.90 1.01 -0.65 -3.93 120.40 117.06 2i2p s VAL 45 Ca 0.28 0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.40 2i2p s VAL 45 Cb -0.10 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.87 2i2p s VAL 45 CO -0.09 -0.12 -0.21 -2.28 0.00 0.00 0.00 175.10 172.40 2i2p s HIS 46 N -2.77 2.13 -0.39 5.22 2.46 0.16 -1.49 115.29 120.61 2i2p s HIS 46 Ca 0.66 -0.67 0.02 0.00 0.47 0.00 0.00 55.06 55.55 2i2p s HIS 46 Cb -0.21 -1.42 0.16 0.00 -0.13 0.00 0.00 32.58 30.98 2i2p s HIS 46 CO 0.59 -0.23 0.32 0.16 -2.47 0.00 0.00 174.74 173.12 2i2p s ASP 47 N 0.01 1.79 0.25 9.88 -4.77 0.45 -0.42 116.67 123.87 2i2p s ASP 47 Ca -0.06 -2.39 -0.10 0.00 -3.30 0.00 0.00 52.55 46.70 2i2p s ASP 47 Cb -0.14 -0.11 0.38 0.00 -1.09 0.00 0.00 42.92 41.97 2i2p s ASP 47 CO 0.04 -0.23 1.59 -0.08 0.70 0.00 0.00 175.17 177.19 2i2p h GLU 48 N 6.38 0.01 0.00 2.11 4.57 -1.96 0.58 114.58 126.27 2i2p h GLU 48 Ca 0.14 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 2i2p h GLU 48 Cb 0.97 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 2i2p h GLU 48 CO 0.28 0.01 -0.19 -0.91 -1.18 0.00 0.00 179.01 177.01 2i2p h ASN 49 N 0.01 0.00 -5.97 1.04 4.21 -1.95 -3.42 115.58 109.49 2i2p h ASN 49 Ca 0.41 -0.05 -0.37 0.00 1.21 0.00 0.00 56.30 57.50 2i2p h ASN 49 Cb 0.65 0.00 0.12 0.00 -1.12 0.00 0.00 38.32 37.97 2i2p h ASN 49 CO -0.84 0.02 -0.91 -3.20 -1.29 0.00 0.00 177.43 171.21 2i2p n ASN 50 N -2.41 -5.68 -1.84 5.81 4.05 0.20 -4.91 115.26 110.48 2i2p n ASN 50 Ca 0.04 -0.92 -0.21 0.00 0.45 0.00 0.00 54.58 53.95 2i2p n ASN 50 Cb 0.46 -3.98 0.10 0.00 1.23 0.00 0.00 39.78 37.59 2i2p n ASN 50 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 177.26 172.37 2i2p n GLU 51 N -3.88 2.77 0.00 1.20 0.00 -1.26 -4.83 120.64 114.64 2i2p n GLU 51 Ca -0.09 -3.60 0.00 0.00 0.00 0.00 0.00 57.16 53.47 2i2p n GLU 51 Cb 0.60 -2.13 0.00 0.00 0.00 0.00 0.00 31.44 29.91 2i2p n GLU 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2i2p n GLY 53 N 2.77 2.54 3.84 0.00 0.00 -1.26 -4.90 105.19 108.18 2i2p n GLY 53 Ca 0.00 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 43.95 2i2p n GLY 53 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2i2p s ILE 54 N -2.16 3.12 0.00 -0.61 2.07 -1.26 -3.45 121.20 118.91 2i2p s ILE 54 Ca 0.00 0.36 0.00 0.00 -1.41 0.00 0.00 60.65 59.60 2i2p s ILE 54 Cb 0.00 -3.22 0.00 0.00 0.13 0.00 0.00 42.46 39.37 2i2p s ILE 54 CO 0.00 -0.47 0.00 0.61 -1.91 0.00 0.00 174.94 173.17 2i2p n GLY 55 N -2.55 1.16 0.53 1.50 0.00 -1.26 -4.81 105.19 99.76 2i2p n GLY 55 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 2i2p n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2i2p n ASP 56 N 0.00 -0.00 -3.69 1.61 9.92 -1.22 -4.69 116.55 118.47 2i2p n ASP 56 Ca 0.00 -1.06 -0.12 0.00 -0.53 0.00 0.00 54.79 53.08 2i2p n ASP 56 Cb 0.00 -0.14 -0.12 0.00 -0.64 0.00 0.00 41.12 40.22 2i2p n ASP 56 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2i2p s VAL 57 N -1.40 -0.23 0.10 2.53 1.01 0.11 -4.07 120.40 118.45 2i2p s VAL 57 Ca 0.10 0.19 -0.06 0.00 0.00 0.00 0.00 61.98 62.21 2i2p s VAL 57 Cb -0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 2i2p s VAL 57 CO 0.07 0.08 0.14 0.68 0.00 0.00 0.00 175.10 176.07 2i2p s VAL 58 N 1.83 0.14 -0.15 2.92 -7.23 -0.71 -1.16 120.40 116.02 2i2p s VAL 58 Ca -0.05 -1.50 -0.12 0.00 -1.81 0.00 0.00 61.98 58.50 2i2p s VAL 58 Cb -0.11 -1.62 -0.05 0.00 0.56 0.00 0.00 36.38 35.16 2i2p s VAL 58 CO -0.10 -0.62 0.22 -1.61 -0.31 0.00 0.00 175.10 172.69 2i2p s GLU 59 N -3.93 4.07 0.00 4.82 0.41 -0.79 0.86 118.70 124.13 2i2p s GLU 59 Ca 0.12 -0.02 0.05 0.00 -0.41 0.00 0.00 54.97 54.70 2i2p s GLU 59 Cb 0.06 -3.37 -0.03 0.00 -1.78 0.00 0.00 34.13 29.01 2i2p s GLU 59 CO -0.06 0.39 -0.12 0.42 -0.49 0.00 0.00 175.26 175.40 2i2p s ILE 60 N 0.06 3.26 -0.03 -1.63 -1.09 -0.57 -2.39 121.20 118.81 2i2p s ILE 60 Ca 0.14 -0.90 0.05 0.00 -2.23 0.00 0.00 60.65 57.71 2i2p s ILE 60 Cb -0.12 -2.38 -0.01 0.00 -1.58 0.00 0.00 42.46 38.37 2i2p s ILE 60 CO 0.03 0.42 -0.17 0.00 -1.23 0.00 0.00 174.94 173.98 2i2p s ARG 61 N -1.29 1.60 0.56 2.79 1.04 -0.97 -2.94 118.95 119.74 2i2p s ARG 61 Ca 0.15 -0.60 -0.16 0.00 -1.04 0.00 0.00 55.73 54.08 2i2p s ARG 61 Cb -0.11 -1.45 -0.05 0.00 -2.04 0.00 0.00 34.95 31.30 2i2p s ARG 61 CO 0.05 0.29 1.03 -1.83 -0.04 0.00 0.00 175.30 174.81 2i2p s GLU 62 N -0.14 3.55 0.00 3.89 -1.05 -1.26 -1.09 118.70 122.60 2i2p s GLU 62 Ca 0.01 1.12 0.00 0.00 -0.15 0.00 0.00 54.97 55.95 2i2p s GLU 62 Cb -0.09 -2.07 0.00 0.00 -0.44 0.00 0.00 34.13 31.53 2i2p s GLU 62 CO 0.01 -0.62 0.00 0.00 0.95 0.00 0.00 175.26 175.60 2i2p n ARG 64 N 0.00 0.91 -1.72 0.00 0.63 -1.26 -4.67 116.66 110.55 2i2p n ARG 64 Ca 0.00 0.32 -0.23 0.00 -0.92 0.00 0.00 57.85 57.02 2i2p n ARG 64 Cb 0.00 -1.58 -0.05 0.00 0.45 0.00 0.00 32.46 31.28 2i2p n ARG 64 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2i2p s PRO 65 N -1.34 1.99 0.04 -0.14 0.04 -1.26 -4.65 135.00 129.67 2i2p s PRO 65 Ca 0.61 0.49 -0.22 0.00 0.04 0.00 0.00 61.00 61.92 2i2p s PRO 65 Cb -0.78 -4.78 -0.15 0.00 0.04 0.00 0.00 34.50 28.83 2i2p s PRO 65 CO 0.59 -3.85 1.43 -0.07 0.04 0.00 0.00 177.00 175.14 2i2p h LEU 66 N 20.45 0.18 -8.14 -3.56 3.38 -1.46 -3.47 115.31 122.68 2i2p h LEU 66 Ca -0.04 -0.35 -0.12 0.00 0.09 0.00 0.00 57.88 57.45 2i2p h LEU 66 Cb 1.07 -0.05 -0.14 0.00 0.09 0.00 0.00 40.66 41.63 2i2p h LEU 66 CO 1.10 0.49 -0.46 -0.44 0.09 0.00 0.00 178.44 179.22 2i2p s SER 67 N -5.74 0.18 -0.83 -0.43 0.01 0.47 -4.99 113.70 102.36 2i2p s SER 67 Ca -0.15 -0.93 -0.24 0.00 1.31 0.00 0.00 55.95 55.94 2i2p s SER 67 Cb 0.05 0.35 -0.17 0.00 0.21 0.00 0.00 66.02 66.46 2i2p s SER 67 CO 0.70 -0.79 2.34 1.17 0.41 0.00 0.00 173.24 177.08 2i2p n LYS 68 N -0.12 0.44 0.00 12.44 4.81 -1.26 0.06 118.16 134.54 2i2p n LYS 68 Ca -0.09 -0.84 0.00 0.00 -0.87 0.00 0.00 58.31 56.51 2i2p n LYS 68 Cb 0.63 -3.41 0.00 0.00 0.02 0.00 0.00 35.03 32.27 2i2p n LYS 68 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2i2p n THR 69 N 8.44 0.00 -2.97 3.15 -1.04 -1.26 -5.05 114.28 115.54 2i2p n THR 69 Ca 0.48 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 62.06 2i2p n THR 69 Cb 0.40 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.86 2i2p n THR 69 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2i2p s LYS 70 N -0.06 3.24 -0.04 -2.82 2.20 0.11 -4.25 119.74 118.11 2i2p s LYS 70 Ca 0.00 -0.55 0.06 0.00 -0.36 0.00 0.00 55.97 55.12 2i2p s LYS 70 Cb 0.00 -4.08 0.09 0.00 -1.51 0.00 0.00 37.83 32.33 2i2p s LYS 70 CO 0.00 -1.39 0.99 0.43 -0.36 0.00 0.00 175.35 175.02 2i2p n SER 71 N 6.93 0.94 -4.16 1.43 7.64 -1.25 -0.40 113.62 124.74 2i2p n SER 71 Ca -0.02 -2.23 -0.15 0.00 1.01 0.00 0.00 58.87 57.48 2i2p n SER 71 Cb 0.46 -0.23 -0.11 0.00 -1.01 0.00 0.00 64.21 63.32 2i2p n SER 71 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 2i2p s TRP 72 N -1.02 1.05 0.14 1.43 0.52 -1.26 0.45 118.94 120.25 2i2p s TRP 72 Ca 0.10 -0.60 0.05 0.00 0.02 0.00 0.00 56.10 55.68 2i2p s TRP 72 Cb 0.09 -0.58 -0.04 0.00 -1.15 0.00 0.00 33.47 31.79 2i2p s TRP 72 CO 0.01 0.01 -0.12 0.99 0.02 0.00 0.00 176.95 177.86 2i2p s THR 73 N -2.09 1.28 0.25 2.01 2.01 -0.25 0.39 115.64 119.24 2i2p s THR 73 Ca 0.02 -1.91 -0.30 0.00 0.31 0.00 0.00 61.69 59.81 2i2p s THR 73 Cb -0.05 -1.71 -0.09 0.00 0.01 0.00 0.00 72.50 70.66 2i2p s THR 73 CO 0.01 -0.59 1.23 -0.22 -0.69 0.00 0.00 174.62 174.35 2i2p s LEU 74 N -2.86 4.46 -0.05 4.42 1.98 0.44 -2.30 118.68 124.77 2i2p s LEU 74 Ca 0.13 2.40 0.03 0.00 -2.89 0.00 0.00 54.13 53.81 2i2p s LEU 74 Cb -0.01 -3.62 -0.05 0.00 0.66 0.00 0.00 46.19 43.16 2i2p s LEU 74 CO 0.02 -0.39 -0.01 1.33 -1.89 0.00 0.00 176.35 175.41 2i2p n VAL 75 N 1.78 0.34 -3.59 1.68 0.24 -1.00 -4.94 118.33 112.83 2i2p n VAL 75 Ca 0.02 -0.18 -0.06 0.00 -2.04 0.00 0.00 64.34 62.08 2i2p n VAL 75 Cb 0.43 -0.82 -0.04 0.00 -1.47 0.00 0.00 33.84 31.95 2i2p n VAL 75 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2i2p s ARG 76 N -2.12 0.37 -0.61 7.34 1.70 -1.25 -5.01 118.95 119.37 2i2p s ARG 76 Ca -0.04 -0.01 -0.04 0.00 -0.47 0.00 0.00 55.73 55.16 2i2p s ARG 76 Cb 0.02 0.17 0.16 0.00 -0.57 0.00 0.00 34.95 34.73 2i2p s ARG 76 CO 0.18 -0.14 0.44 0.08 -1.08 0.00 0.00 175.30 174.78 2i2p s VAL 77 N -1.68 3.86 0.00 4.99 1.01 -1.26 -1.89 120.40 125.43 2i2p s VAL 77 Ca 0.05 -2.76 0.00 0.00 0.00 0.00 0.00 61.98 59.28 2i2p s VAL 77 Cb -0.01 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.85 2i2p s VAL 77 CO -0.04 -0.87 0.90 0.52 0.00 0.00 0.00 175.10 175.62 2i2p n VAL 78 N 3.73 0.00 -3.97 2.92 0.31 -0.31 -4.83 118.33 116.17 2i2p n VAL 78 Ca 0.06 1.40 -0.23 0.00 -0.01 0.00 0.00 64.34 65.57 2i2p n VAL 78 Cb 0.39 -2.32 -0.05 0.00 -0.91 0.00 0.00 33.84 30.94 2i2p n VAL 78 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2i2p s GLU 79 N -2.61 2.45 0.00 5.55 2.56 -0.88 -4.97 118.70 120.81 2i2p s GLU 79 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 54.97 53.45 2i2p s GLU 79 Cb 0.00 -2.25 0.00 0.00 2.00 0.00 0.00 34.13 33.88 2i2p s GLU 79 CO 0.00 0.04 0.00 0.36 -0.56 0.00 0.00 175.26 175.10 2i2p n LYS 80 N -1.26 0.00 0.00 4.30 -0.00 -1.26 0.09 118.16 120.03 2i2p n LYS 80 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 2i2p n LYS 80 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.64 2i2p n LYS 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2i2p n ALA 81 N -3.00 0.00 -1.12 0.58 0.00 -1.26 -4.47 120.51 111.23 2i2p n ALA 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2i2p n ALA 81 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2i2p n ALA 81 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05