#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2p n SER 3 N 0.00 2.23 -1.90 2.89 2.88 -1.26 -4.71 113.62 113.76 2i2p n SER 3 Ca 0.00 -0.42 0.03 0.00 -1.33 0.00 0.00 58.87 57.15 2i2p n SER 3 Cb 0.00 -1.54 0.03 0.00 -0.75 0.00 0.00 64.21 61.95 2i2p n SER 3 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2i2p n LEU 4 N 15.30 1.16 0.00 2.46 4.77 -1.26 -5.02 117.00 134.41 2i2p n LEU 4 Ca 0.39 -2.30 0.00 0.00 -0.03 0.00 0.00 56.01 54.06 2i2p n LEU 4 Cb 0.50 0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 2i2p n LEU 4 CO 0.72 0.66 0.00 0.29 -1.33 0.00 0.00 177.39 177.74 2i2p n LYS 5 N 0.17 0.00 -3.70 3.23 4.01 -1.26 -3.23 118.16 117.39 2i2p n LYS 5 Ca 0.06 0.00 -0.38 0.00 -0.51 0.00 0.00 58.31 57.48 2i2p n LYS 5 Cb 1.04 0.00 -0.10 0.00 -0.51 0.00 0.00 35.03 35.46 2i2p n LYS 5 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2i2p s LYS 6 N 0.00 2.22 0.00 1.97 -0.14 -1.26 -4.79 119.74 117.75 2i2p s LYS 6 Ca 0.00 -1.89 0.00 0.00 -1.36 0.00 0.00 55.97 52.72 2i2p s LYS 6 Cb 0.00 -3.72 0.00 0.00 -1.68 0.00 0.00 37.83 32.43 2i2p s LYS 6 CO 0.00 -1.12 0.00 0.41 -0.76 0.00 0.00 175.35 173.88 2i2p n GLY 7 N 4.57 0.77 3.49 -3.33 0.00 -1.20 -5.10 105.19 104.39 2i2p n GLY 7 Ca -0.03 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 2i2p n GLY 7 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2i2p n PRO 8 N 0.00 0.04 -3.60 1.61 -0.02 -1.26 -4.96 135.00 126.82 2i2p n PRO 8 Ca 0.00 0.07 -0.31 0.00 -2.02 0.00 0.00 63.50 61.24 2i2p n PRO 8 Cb 0.00 -1.96 -0.04 0.00 -0.02 0.00 0.00 33.50 31.47 2i2p n PRO 8 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2i2p s PHE 9 N -2.15 3.47 0.12 6.00 2.19 -1.26 -5.08 117.98 121.26 2i2p s PHE 9 Ca 0.64 0.60 -0.20 0.00 0.33 0.00 0.00 56.93 58.29 2i2p s PHE 9 Cb -0.28 -2.04 0.05 0.00 -1.31 0.00 0.00 43.02 39.44 2i2p s PHE 9 CO 0.60 0.37 0.50 -1.50 1.83 0.00 0.00 175.22 177.03 2i2p s ILE 10 N -1.75 0.04 -0.37 3.12 1.10 -1.26 -3.45 121.20 118.63 2i2p s ILE 10 Ca 0.42 -0.29 -0.12 0.00 -0.51 0.00 0.00 60.65 60.15 2i2p s ILE 10 Cb -0.12 -1.07 0.02 0.00 0.15 0.00 0.00 42.46 41.45 2i2p s ILE 10 CO 0.25 -0.16 0.22 -1.81 -2.11 0.00 0.00 174.94 171.33 2i2p s ASP 11 N -2.62 5.80 0.38 4.50 1.11 -1.26 -4.96 116.67 119.62 2i2p s ASP 11 Ca 0.01 -0.88 0.18 0.00 0.18 0.00 0.00 52.55 52.04 2i2p s ASP 11 Cb 0.00 -2.05 1.12 0.00 1.07 0.00 0.00 42.92 43.06 2i2p s ASP 11 CO -0.10 -0.36 1.71 0.25 1.18 0.00 0.00 175.17 177.85 2i2p h LEU 12 N 8.46 0.46 -1.00 1.23 6.46 -2.00 -0.68 115.31 128.24 2i2p h LEU 12 Ca -0.27 0.12 0.37 0.00 -0.12 0.00 0.00 57.88 57.99 2i2p h LEU 12 Cb 1.12 0.06 -0.18 0.00 -0.73 0.00 0.00 40.66 40.93 2i2p h LEU 12 CO 0.67 -0.01 0.43 0.45 -0.62 0.00 0.00 178.44 179.36 2i2p h HIS 13 N 0.35 0.64 0.11 1.25 3.86 -1.98 0.11 115.15 119.50 2i2p h HIS 13 Ca 0.67 0.05 -0.17 0.00 -1.16 0.00 0.00 60.37 59.76 2i2p h HIS 13 Cb 1.69 -0.11 0.01 0.00 1.06 0.00 0.00 27.41 30.07 2i2p h HIS 13 CO -0.01 -0.43 -0.77 1.37 0.86 0.00 0.00 177.93 178.95 2i2p h LEU 14 N 0.04 0.38 -1.44 2.43 8.10 -1.55 -3.32 115.31 119.94 2i2p h LEU 14 Ca 0.78 -0.94 0.20 0.00 0.11 0.00 0.00 57.88 58.03 2i2p h LEU 14 Cb 1.95 -0.12 -0.07 0.00 -0.44 0.00 0.00 40.66 41.97 2i2p h LEU 14 CO -0.78 1.36 0.60 0.25 -4.11 0.00 0.00 178.44 175.76 2i2p h LEU 15 N -0.47 0.46 -0.64 0.17 5.85 -0.84 1.01 115.31 120.85 2i2p h LEU 15 Ca -0.14 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2i2p h LEU 15 Cb 1.55 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.55 2i2p h LEU 15 CO 0.11 0.18 0.00 0.29 -0.34 0.00 0.00 178.44 178.68 2i2p n LYS 16 N -4.54 1.40 0.00 1.25 4.76 -0.37 -3.72 118.16 116.94 2i2p n LYS 16 Ca 0.20 -0.63 0.00 0.00 -2.87 0.00 0.00 58.31 55.01 2i2p n LYS 16 Cb 0.68 -1.16 0.00 0.00 -1.84 0.00 0.00 35.03 32.71 2i2p n LYS 16 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2i2p n LYS 17 N -0.02 0.08 0.00 1.97 4.81 0.30 -4.58 118.16 120.72 2i2p n LYS 17 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 2i2p n LYS 17 Cb 0.16 -0.94 0.00 0.00 0.02 0.00 0.00 35.03 34.26 2i2p n LYS 17 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 2i2p n VAL 18 N -2.38 0.00 0.04 3.15 3.14 0.18 -2.73 118.33 119.74 2i2p n VAL 18 Ca 0.00 0.48 0.22 0.00 -2.96 0.00 0.00 64.34 62.08 2i2p n VAL 18 Cb 0.44 -1.21 0.73 0.00 -1.06 0.00 0.00 33.84 32.75 2i2p n VAL 18 CO 0.00 0.00 0.00 1.05 -6.46 0.00 0.00 176.83 171.42 2i2p h GLU 19 N 0.00 0.00 0.00 1.45 4.11 -1.82 0.61 114.58 118.93 2i2p h GLU 19 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 2i2p h GLU 19 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2i2p h GLU 19 CO 0.00 0.00 -0.02 -0.22 0.07 0.00 0.00 179.01 178.84 2i2p h LYS 20 N 0.00 0.00 -0.00 1.06 3.11 -1.71 -1.94 116.57 117.09 2i2p h LYS 20 Ca 0.24 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.08 2i2p h LYS 20 Cb 1.18 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.41 2i2p h LYS 20 CO -0.00 0.02 -0.36 0.00 -2.81 0.00 0.00 179.45 176.29 2i2p n ALA 21 N -2.40 3.07 -0.03 5.00 0.00 0.19 -4.59 120.51 121.75 2i2p n ALA 21 Ca -0.03 -0.30 -0.16 0.00 0.00 0.00 0.00 53.44 52.95 2i2p n ALA 21 Cb 0.10 -0.33 -0.08 0.00 0.00 0.00 0.00 19.45 19.14 2i2p n ALA 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2i2p h VAL 22 N 0.29 1.37 -0.48 0.00 2.07 -0.15 -3.29 116.25 116.06 2i2p h VAL 22 Ca 0.00 -1.78 0.09 0.00 0.82 0.00 0.00 66.70 65.83 2i2p h VAL 22 Cb 0.24 2.16 -0.10 0.00 -1.52 0.00 0.00 31.29 32.07 2i2p h VAL 22 CO 0.00 0.54 -0.27 -0.08 0.02 0.00 0.00 177.57 177.77 2i2p h GLU 23 N 0.12 -0.16 -5.37 1.57 4.57 -1.74 -3.21 114.58 110.35 2i2p h GLU 23 Ca -0.03 0.01 -0.68 0.00 -1.18 0.00 0.00 59.36 57.49 2i2p h GLU 23 Cb 1.10 0.04 -0.14 0.00 -0.16 0.00 0.00 28.75 29.59 2i2p h GLU 23 CO 0.10 -0.11 1.39 -1.12 -1.18 0.00 0.00 179.01 178.09 2i2p s SER 24 N -5.13 6.75 0.00 1.04 0.01 -1.24 -4.96 113.70 110.17 2i2p s SER 24 Ca -0.14 -2.23 0.00 0.00 1.31 0.00 0.00 55.95 54.89 2i2p s SER 24 Cb 0.15 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.91 2i2p s SER 24 CO 0.70 -1.11 0.00 0.61 0.41 0.00 0.00 173.24 173.85 2i2p n GLY 25 N 5.45 2.00 2.97 3.44 0.00 -1.21 -4.79 105.19 113.05 2i2p n GLY 25 Ca 0.34 0.11 -0.15 0.00 0.00 0.00 0.00 46.02 46.32 2i2p n GLY 25 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2i2p n ASP 26 N 1.12 -0.99 0.00 1.61 4.64 -1.26 -4.51 116.55 117.16 2i2p n ASP 26 Ca 0.00 -2.82 0.00 0.00 -1.38 0.00 0.00 54.79 50.59 2i2p n ASP 26 Cb 0.00 1.97 0.00 0.00 -1.04 0.00 0.00 41.12 42.05 2i2p n ASP 26 CO 0.00 0.00 0.00 2.29 -0.82 0.00 0.00 177.20 178.67 2i2p n LYS 27 N -0.54 0.00 -3.25 -0.67 -0.00 -1.26 -5.14 118.16 107.29 2i2p n LYS 27 Ca 0.03 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.09 2i2p n LYS 27 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.55 2i2p n LYS 27 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2i2p s LYS 28 N 3.06 3.52 0.27 -1.58 -0.14 -1.26 -5.03 119.74 118.58 2i2p s LYS 28 Ca 0.00 -0.18 -0.30 0.00 -1.36 0.00 0.00 55.97 54.13 2i2p s LYS 28 Cb 0.00 -2.62 -0.13 0.00 -1.68 0.00 0.00 37.83 33.40 2i2p s LYS 28 CO 0.00 0.11 1.35 -0.35 -0.76 0.00 0.00 175.35 175.70 2i2p n PRO 29 N -1.67 2.02 -2.90 -1.68 -0.04 -1.25 -4.92 135.00 124.57 2i2p n PRO 29 Ca -0.03 0.72 -0.42 0.00 -0.04 0.00 0.00 63.50 63.72 2i2p n PRO 29 Cb 0.55 -2.34 -0.05 0.00 -0.04 0.00 0.00 33.50 31.63 2i2p n PRO 29 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2i2p s LEU 30 N -0.21 4.09 -0.61 1.53 2.01 0.14 -4.88 118.68 120.75 2i2p s LEU 30 Ca 0.64 0.36 -0.27 0.00 0.01 0.00 0.00 54.13 54.87 2i2p s LEU 30 Cb -0.63 -3.11 -0.01 0.00 0.01 0.00 0.00 46.19 42.45 2i2p s LEU 30 CO 0.54 -0.82 1.75 -0.60 1.01 0.00 0.00 176.35 178.23 2i2p s ARG 31 N 3.29 2.78 0.00 1.70 3.52 -1.26 -1.47 118.95 127.52 2i2p s ARG 31 Ca 0.34 0.53 0.00 0.00 -0.13 0.00 0.00 55.73 56.46 2i2p s ARG 31 Cb -0.12 -4.33 0.00 0.00 -1.56 0.00 0.00 34.95 28.93 2i2p s ARG 31 CO 0.19 -2.56 0.00 2.41 -0.81 0.00 0.00 175.30 174.53 2i2p n THR 32 N 7.09 0.00 0.00 4.11 -1.04 0.11 -4.96 114.28 119.59 2i2p n THR 32 Ca 0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 2i2p n THR 32 Cb 0.51 -0.83 0.00 0.00 -1.82 0.00 0.00 70.33 68.19 2i2p n THR 32 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 2i2p n TRP 33 N -0.15 0.00 -2.95 -1.42 8.01 -1.26 -4.54 117.44 115.13 2i2p n TRP 33 Ca 0.00 0.00 -0.44 0.00 -1.31 0.00 0.00 57.50 55.75 2i2p n TRP 33 Cb 0.00 0.00 -0.00 0.00 -2.01 0.00 0.00 31.31 29.30 2i2p n TRP 33 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 2i2p s SER 34 N 0.00 7.02 0.38 -0.99 1.04 -1.26 -4.78 113.70 115.12 2i2p s SER 34 Ca 0.00 -2.89 0.28 0.00 0.48 0.00 0.00 55.95 53.82 2i2p s SER 34 Cb 0.00 -2.40 1.26 0.00 0.10 0.00 0.00 66.02 64.98 2i2p s SER 34 CO 0.00 -0.78 1.83 0.03 0.98 0.00 0.00 173.24 175.30 2i2p h ARG 35 N 7.35 0.00 -0.38 4.02 3.08 -1.93 -1.74 114.38 124.79 2i2p h ARG 35 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.35 2i2p h ARG 35 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.94 2i2p h ARG 35 CO 1.22 0.00 0.00 2.89 -1.07 0.00 0.00 179.97 183.01 2i2p n ARG 36 N -2.53 1.78 -3.90 0.04 1.85 -1.26 -2.18 116.66 110.45 2i2p n ARG 36 Ca 0.01 -1.01 -0.36 0.00 -1.00 0.00 0.00 57.85 55.48 2i2p n ARG 36 Cb 0.19 -1.31 -0.07 0.00 -1.05 0.00 0.00 32.46 30.22 2i2p n ARG 36 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 2i2p s SER 37 N -0.87 6.12 -0.03 2.89 1.04 -0.66 -4.85 113.70 117.34 2i2p s SER 37 Ca 0.19 0.31 -0.30 0.00 0.48 0.00 0.00 55.95 56.63 2i2p s SER 37 Cb 0.11 -2.00 -0.05 0.00 0.10 0.00 0.00 66.02 64.17 2i2p s SER 37 CO 0.11 0.31 1.39 -0.89 0.98 0.00 0.00 173.24 175.14 2i2p s THR 38 N -0.41 3.83 0.16 2.02 2.01 -1.22 -2.77 115.64 119.26 2i2p s THR 38 Ca 0.11 1.16 -0.34 0.00 0.31 0.00 0.00 61.69 62.93 2i2p s THR 38 Cb -0.12 -3.75 -0.15 0.00 0.01 0.00 0.00 72.50 68.50 2i2p s THR 38 CO 0.02 -0.03 1.41 2.30 -0.69 0.00 0.00 174.62 177.62 2i2p n ILE 39 N 4.85 0.38 -3.42 1.82 -5.35 0.77 -4.94 119.36 113.47 2i2p n ILE 39 Ca 0.13 -0.09 -0.38 0.00 -0.27 0.00 0.00 62.75 62.14 2i2p n ILE 39 Cb 0.44 -1.22 -0.06 0.00 -1.74 0.00 0.00 39.64 37.06 2i2p n ILE 39 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2i2p s PHE 40 N 0.38 3.60 -2.00 4.28 0.40 -1.26 -4.79 117.98 118.60 2i2p s PHE 40 Ca 0.77 0.91 0.15 0.00 -0.60 0.00 0.00 56.93 58.15 2i2p s PHE 40 Cb -0.77 -2.41 0.88 0.00 0.51 0.00 0.00 43.02 41.23 2i2p s PHE 40 CO 0.45 0.39 1.30 -0.35 0.70 0.00 0.00 175.22 177.71 2i2p n PRO 41 N 2.83 0.49 -0.07 0.24 -0.04 -1.26 -2.03 135.00 135.16 2i2p n PRO 41 Ca -0.11 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.30 2i2p n PRO 41 Cb 0.52 -1.48 -0.15 0.00 -0.04 0.00 0.00 33.50 32.35 2i2p n PRO 41 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2i2p n ASN 42 N -0.98 0.16 -0.65 3.54 6.94 -1.26 -4.13 115.26 118.88 2i2p n ASN 42 Ca 0.11 0.07 0.00 0.00 -0.02 0.00 0.00 54.58 54.74 2i2p n ASN 42 Cb 0.05 1.00 0.01 0.00 -2.36 0.00 0.00 39.78 38.48 2i2p n ASN 42 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 2i2p n MET 43 N -2.71 1.13 -1.55 -3.83 2.81 -0.86 -4.94 117.12 107.18 2i2p n MET 43 Ca -0.24 -0.12 -0.60 0.00 -1.81 0.00 0.00 57.70 54.93 2i2p n MET 43 Cb 1.02 -1.44 -0.08 0.00 -0.71 0.00 0.00 33.22 32.01 2i2p n MET 43 CO 0.00 0.00 0.00 1.51 1.51 0.00 0.00 175.97 178.99 2i2p n ILE 44 N 0.10 0.00 -2.24 2.02 0.13 -1.26 -1.33 119.36 116.79 2i2p n ILE 44 Ca 0.01 -0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.66 2i2p n ILE 44 Cb 0.34 -0.14 0.00 0.00 -0.84 0.00 0.00 39.64 39.00 2i2p n ILE 44 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2i2p n GLY 45 N 1.98 -0.43 3.77 4.50 0.00 -1.25 -4.86 105.19 108.90 2i2p n GLY 45 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 2i2p n GLY 45 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2i2p s LEU 46 N -4.37 4.20 -1.07 0.99 1.98 -0.44 -4.92 118.68 115.05 2i2p s LEU 46 Ca 0.00 2.38 -0.22 0.00 -2.89 0.00 0.00 54.13 53.40 2i2p s LEU 46 Cb 0.00 -4.00 0.03 0.00 0.66 0.00 0.00 46.19 42.88 2i2p s LEU 46 CO 0.00 -0.68 1.63 -0.89 -1.89 0.00 0.00 176.35 174.52 2i2p s THR 47 N -1.39 3.86 0.00 3.68 2.01 -1.26 -4.77 115.64 117.77 2i2p s THR 47 Ca 0.57 -0.96 0.00 0.00 0.31 0.00 0.00 61.69 61.61 2i2p s THR 47 Cb -0.32 -4.88 0.00 0.00 0.01 0.00 0.00 72.50 67.32 2i2p s THR 47 CO 0.40 -1.73 0.00 2.30 -0.69 0.00 0.00 174.62 174.90 2i2p n ILE 48 N 7.01 0.00 -3.32 1.82 -5.35 -1.26 0.27 119.36 118.53 2i2p n ILE 48 Ca 0.39 0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.89 2i2p n ILE 48 Cb 0.49 0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 38.35 2i2p n ILE 48 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2i2p s ALA 49 N -2.00 -2.95 -0.06 -1.28 0.00 -0.54 -3.77 121.76 111.17 2i2p s ALA 49 Ca 0.00 1.94 -0.23 0.00 0.00 0.00 0.00 51.96 53.67 2i2p s ALA 49 Cb 0.00 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.93 2i2p s ALA 49 CO 0.00 -0.93 0.69 0.08 0.00 0.00 0.00 175.76 175.60 2i2p s VAL 50 N 2.20 5.02 0.38 0.00 1.01 -0.02 -0.72 120.40 128.28 2i2p s VAL 50 Ca -0.01 1.42 -0.27 0.00 0.00 0.00 0.00 61.98 63.12 2i2p s VAL 50 Cb -0.04 -4.03 -0.10 0.00 0.00 0.00 0.00 36.38 32.22 2i2p s VAL 50 CO -0.17 0.27 1.35 -2.28 0.00 0.00 0.00 175.10 174.28 2i2p s HIS 51 N 0.67 2.82 -0.13 5.22 2.46 -1.26 0.78 115.29 125.85 2i2p s HIS 51 Ca 0.37 1.35 0.18 0.00 0.47 0.00 0.00 55.06 57.43 2i2p s HIS 51 Cb -0.18 -3.76 0.30 0.00 -0.13 0.00 0.00 32.58 28.81 2i2p s HIS 51 CO 0.18 -2.26 1.17 0.27 -2.47 0.00 0.00 174.74 171.63 2i2p n ASN 52 N 0.37 2.46 0.00 9.88 6.94 0.27 -4.87 115.26 130.31 2i2p n ASN 52 Ca 0.02 -3.04 0.00 0.00 -0.02 0.00 0.00 54.58 51.54 2i2p n ASN 52 Cb 0.42 -0.42 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2i2p n ASN 52 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2i2p n GLY 53 N -1.33 0.85 1.98 4.83 0.00 -1.26 -4.73 105.19 105.53 2i2p n GLY 53 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2i2p n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i2p n ARG 54 N -2.00 0.00 -1.78 1.61 1.74 -1.26 -5.15 116.66 109.82 2i2p n ARG 54 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2i2p n ARG 54 Cb 0.00 -0.01 0.00 0.00 -1.02 0.00 0.00 32.46 31.43 2i2p n ARG 54 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2i2p n GLN 55 N -2.49 0.00 -5.22 5.56 0.00 -1.26 -5.15 117.38 108.83 2i2p n GLN 55 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.00 56.69 2i2p n GLN 55 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 30.24 30.08 2i2p n GLN 55 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 2i2p s HIS 56 N -3.35 2.33 -0.33 3.69 3.76 -1.26 0.95 115.29 121.09 2i2p s HIS 56 Ca 0.00 -0.66 -0.12 0.00 -0.15 0.00 0.00 55.06 54.14 2i2p s HIS 56 Cb 0.00 -1.52 -0.02 0.00 1.11 0.00 0.00 32.58 32.15 2i2p s HIS 56 CO 0.00 -0.19 0.21 0.14 -0.85 0.00 0.00 174.74 174.05 2i2p s VAL 57 N -0.20 5.06 -0.48 -0.90 -7.23 0.23 -4.64 120.40 112.24 2i2p s VAL 57 Ca -0.02 -0.26 -0.27 0.00 -1.81 0.00 0.00 61.98 59.62 2i2p s VAL 57 Cb -0.13 -3.58 -0.02 0.00 0.56 0.00 0.00 36.38 33.22 2i2p s VAL 57 CO 0.03 0.03 1.79 -2.16 -0.31 0.00 0.00 175.10 174.48 2i2p s PRO 58 N 1.69 3.00 0.14 4.82 0.04 -1.25 -0.84 135.00 142.60 2i2p s PRO 58 Ca 0.06 0.96 0.08 0.00 0.04 0.00 0.00 61.00 62.13 2i2p s PRO 58 Cb -0.17 -4.28 -0.04 0.00 0.04 0.00 0.00 34.50 30.05 2i2p s PRO 58 CO 0.09 -2.27 -0.17 0.14 0.04 0.00 0.00 177.00 174.83 2i2p s VAL 59 N 7.85 1.65 0.13 -0.36 -7.23 -1.26 -4.95 120.40 116.23 2i2p s VAL 59 Ca 0.71 -1.81 0.09 0.00 -1.81 0.00 0.00 61.98 59.16 2i2p s VAL 59 Cb -0.16 -1.71 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 2i2p s VAL 59 CO 0.27 -0.32 -0.21 -0.36 -0.31 0.00 0.00 175.10 174.18 2i2p s PHE 60 N -1.97 1.85 -0.03 2.82 0.08 -1.26 -4.67 117.98 114.80 2i2p s PHE 60 Ca 0.12 -0.43 0.00 0.00 0.12 0.00 0.00 56.93 56.75 2i2p s PHE 60 Cb -0.06 -0.98 -0.04 0.00 -0.57 0.00 0.00 43.02 41.37 2i2p s PHE 60 CO 0.05 0.26 0.01 0.08 -0.10 0.00 0.00 175.22 175.52 2i2p s VAL 61 N -1.45 4.23 0.16 -0.44 1.01 -1.26 -4.94 120.40 117.71 2i2p s VAL 61 Ca 0.10 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.62 2i2p s VAL 61 Cb -0.09 -2.85 0.03 0.00 0.00 0.00 0.00 36.38 33.47 2i2p s VAL 61 CO 0.05 0.45 0.22 0.41 0.00 0.00 0.00 175.10 176.23 2i2p n THR 62 N 1.61 0.00 0.91 3.92 -1.04 -1.26 -3.90 114.28 114.53 2i2p n THR 62 Ca -0.16 -0.48 0.00 0.00 -2.04 0.00 0.00 64.05 61.38 2i2p n THR 62 Cb 0.53 -0.97 0.00 0.00 -1.82 0.00 0.00 70.33 68.07 2i2p n THR 62 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2i2p n ASP 63 N -2.86 3.00 0.00 8.00 10.43 -1.26 -2.96 116.55 130.89 2i2p n ASP 63 Ca 0.04 -1.96 0.00 0.00 2.57 0.00 0.00 54.79 55.45 2i2p n ASP 63 Cb 0.15 -0.51 0.00 0.00 1.84 0.00 0.00 41.12 42.61 2i2p n ASP 63 CO 0.00 0.00 0.00 -1.84 -1.07 0.00 0.00 177.20 174.29 2i2p n GLU 64 N 0.55 0.90 -3.87 -1.24 -0.00 -1.26 -5.03 120.64 110.69 2i2p n GLU 64 Ca 0.00 -0.05 -0.35 0.00 -0.00 0.00 0.00 57.16 56.76 2i2p n GLU 64 Cb 0.49 -0.32 -0.14 0.00 -0.00 0.00 0.00 31.44 31.47 2i2p n GLU 64 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.13 175.49 2i2p s MET 65 N -0.14 3.28 0.00 3.44 -1.94 -1.16 -4.96 119.30 117.81 2i2p s MET 65 Ca 0.00 -0.70 0.00 0.00 -1.71 0.00 0.00 55.69 53.28 2i2p s MET 65 Cb 0.00 -3.10 0.00 0.00 2.01 0.00 0.00 34.83 33.74 2i2p s MET 65 CO 0.00 -0.27 0.00 0.28 -0.01 0.00 0.00 175.02 175.02 2i2p n VAL 66 N 4.80 0.00 0.24 -6.03 0.31 -1.26 -4.77 118.33 111.62 2i2p n VAL 66 Ca -0.17 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.27 2i2p n VAL 66 Cb 0.50 -0.20 0.60 0.00 -0.91 0.00 0.00 33.84 33.82 2i2p n VAL 66 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2i2p h GLY 67 N 0.00 0.00 -1.28 2.92 0.00 -1.93 -3.33 103.07 99.44 2i2p h GLY 67 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 2i2p h GLY 67 CO 0.00 0.00 0.29 0.30 0.00 0.00 0.00 176.54 177.13 2i2p s HIS 68 N -3.70 2.40 0.19 5.60 4.02 -1.26 -2.88 115.29 119.66 2i2p s HIS 68 Ca -0.02 1.55 0.11 0.00 1.02 0.00 0.00 55.06 57.72 2i2p s HIS 68 Cb 0.06 -3.10 -0.04 0.00 -1.02 0.00 0.00 32.58 28.48 2i2p s HIS 68 CO 0.20 -2.03 -0.22 0.15 1.02 0.00 0.00 174.74 173.86 2i2p s LYS 69 N -4.87 1.59 0.64 1.40 1.02 -1.26 -0.16 119.74 118.10 2i2p s LYS 69 Ca 0.62 -1.50 0.24 0.00 0.02 0.00 0.00 55.97 55.35 2i2p s LYS 69 Cb -0.18 -1.89 1.23 0.00 -0.52 0.00 0.00 37.83 36.47 2i2p s LYS 69 CO 0.56 0.40 1.69 -0.07 -0.92 0.00 0.00 175.35 177.02 2i2p h LEU 70 N 3.16 0.00 -0.22 3.17 4.07 -1.63 0.48 115.31 124.34 2i2p h LEU 70 Ca -0.46 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.49 2i2p h LEU 70 Cb 1.21 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.94 2i2p h LEU 70 CO 0.49 0.00 0.12 1.23 -1.08 0.00 0.00 178.44 179.20 2i2p h GLY 71 N 0.00 0.33 -0.27 0.83 0.00 -1.73 -3.21 103.07 99.02 2i2p h GLY 71 Ca 0.09 -0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.30 2i2p h GLY 71 CO -0.00 0.15 -0.35 0.83 0.00 0.00 0.00 176.54 177.17 2i2p h GLU 72 N 0.25 -0.23 -2.08 4.80 4.39 -1.17 -1.27 114.58 119.26 2i2p h GLU 72 Ca 0.08 0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.74 2i2p h GLU 72 Cb 0.07 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 2i2p h GLU 72 CO -0.01 -0.16 -0.08 0.34 -1.16 0.00 0.00 179.01 177.94 2i2p n PHE 73 N -4.38 0.00 -3.40 4.33 -0.00 -1.21 -4.62 117.46 108.18 2i2p n PHE 73 Ca -0.02 -0.95 0.02 0.00 -0.00 0.00 0.00 57.45 56.50 2i2p n PHE 73 Cb 0.21 -0.79 -0.03 0.00 -0.00 0.00 0.00 39.48 38.87 2i2p n PHE 73 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2i2p s ALA 74 N 0.79 -2.40 0.42 3.13 0.00 -0.48 -4.91 121.76 118.30 2i2p s ALA 74 Ca 0.20 2.04 -0.25 0.00 0.00 0.00 0.00 51.96 53.96 2i2p s ALA 74 Cb 0.10 -2.03 -0.08 0.00 0.00 0.00 0.00 23.12 21.11 2i2p s ALA 74 CO 0.00 -1.11 1.18 -1.25 0.00 0.00 0.00 175.76 174.58 2i2p s PRO 75 N 2.79 3.97 0.00 0.00 0.04 -1.26 -4.86 135.00 135.68 2i2p s PRO 75 Ca 0.03 1.85 0.00 0.00 0.04 0.00 0.00 61.00 62.92 2i2p s PRO 75 Cb -0.11 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.82 2i2p s PRO 75 CO -0.18 -0.39 0.57 0.25 0.04 0.00 0.00 177.00 177.28 2i2p n THR 76 N -0.07 0.29 -2.70 1.26 -2.24 -1.26 -4.74 114.28 104.83 2i2p n THR 76 Ca 0.05 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 2i2p n THR 76 Cb 0.47 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 2i2p n THR 76 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2i2p n ARG 77 N -0.15 1.47 -3.56 -0.78 0.63 -1.26 -5.01 116.66 108.01 2i2p n ARG 77 Ca 0.00 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.77 2i2p n ARG 77 Cb 0.33 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.18 2i2p n ARG 77 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2i2p s THR 78 N 0.23 0.00 0.16 5.15 -4.23 -1.26 -5.18 115.64 110.51 2i2p s THR 78 Ca 0.00 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.37 2i2p s THR 78 Cb 0.00 -1.00 0.05 0.00 1.34 0.00 0.00 72.50 72.89 2i2p s THR 78 CO 0.00 0.00 0.68 0.00 -0.54 0.00 0.00 174.62 174.76 2i2p n TYR 79 N 1.41 -1.31 -0.41 3.99 0.18 -1.26 -5.32 117.16 114.44 2i2p n TYR 79 Ca -0.17 -0.98 0.00 0.00 1.88 0.00 0.00 57.90 58.63 2i2p n TYR 79 Cb 0.57 0.48 0.00 0.00 -0.38 0.00 0.00 39.34 40.01 2i2p n TYR 79 CO 0.00 0.00 0.00 -2.13 -2.08 0.00 0.00 176.86 172.65