#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i21 s LEU 3 N 0.00 1.51 0.99 2.46 1.43 -0.33 -4.83 118.68 119.90 1i21 s LEU 3 Ca 0.00 -1.51 -0.12 0.00 -1.03 0.00 0.00 54.13 51.47 1i21 s LEU 3 Cb 0.00 0.28 0.18 0.00 0.03 0.00 0.00 46.19 46.68 1i21 s LEU 3 CO 0.00 -0.87 1.09 -2.16 0.23 0.00 0.00 176.35 174.64 1i21 s PRO 4 N -3.91 0.53 -1.55 1.29 0.04 -1.26 -3.81 135.00 126.33 1i21 s PRO 4 Ca 0.38 0.59 -0.15 0.00 0.04 0.00 0.00 61.00 61.86 1i21 s PRO 4 Cb 0.06 -1.74 0.11 0.00 0.04 0.00 0.00 34.50 32.97 1i21 s PRO 4 CO 0.17 -2.68 0.80 -3.47 0.04 0.00 0.00 177.00 171.86 1i21 n ASP 5 N -4.15 -4.04 -0.45 6.66 2.03 -1.26 -2.45 116.55 112.89 1i21 n ASP 5 Ca 0.05 -0.78 -0.05 0.00 0.52 0.00 0.00 54.79 54.53 1i21 n ASP 5 Cb 0.57 -3.28 -0.01 0.00 -0.72 0.00 0.00 41.12 37.68 1i21 n ASP 5 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1i21 n GLY 6 N -1.46 0.50 3.61 0.27 0.00 -1.26 -4.97 105.19 101.88 1i21 n GLY 6 Ca 0.05 -0.78 -0.24 0.00 0.00 0.00 0.00 46.02 45.05 1i21 n GLY 6 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i21 s PHE 7 N -2.21 2.55 0.20 1.61 0.40 -1.02 -0.89 117.98 118.61 1i21 s PHE 7 Ca 0.00 -0.38 -0.13 0.00 -0.60 0.00 0.00 56.93 55.82 1i21 s PHE 7 Cb 0.00 -1.37 0.00 0.00 0.51 0.00 0.00 43.02 42.17 1i21 s PHE 7 CO 0.00 0.54 0.41 1.52 0.70 0.00 0.00 175.22 178.39 1i21 s TYR 8 N -2.48 0.23 0.00 0.36 -0.85 -0.40 -1.19 117.35 113.03 1i21 s TYR 8 Ca 0.34 -0.59 0.05 0.00 -0.52 0.00 0.00 57.07 56.34 1i21 s TYR 8 Cb -0.02 0.15 -0.01 0.00 0.38 0.00 0.00 41.96 42.46 1i21 s TYR 8 CO 0.19 -0.86 -0.15 -1.50 -1.52 0.00 0.00 175.55 171.71 1i21 s ILE 9 N -3.95 1.18 0.26 -3.49 2.07 -1.26 0.17 121.20 116.17 1i21 s ILE 9 Ca 0.16 -0.73 -0.16 0.00 -1.41 0.00 0.00 60.65 58.52 1i21 s ILE 9 Cb 0.01 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.61 1i21 s ILE 9 CO 0.02 0.26 0.57 0.00 -1.91 0.00 0.00 174.94 173.89 1i21 s ARG 10 N -0.53 1.63 0.00 3.50 1.70 -1.04 -4.68 118.95 119.52 1i21 s ARG 10 Ca 0.05 -1.13 0.00 0.00 -0.47 0.00 0.00 55.73 54.18 1i21 s ARG 10 Cb -0.06 0.53 0.00 0.00 -0.57 0.00 0.00 34.95 34.85 1i21 s ARG 10 CO -0.00 -0.71 0.00 0.54 -1.08 0.00 0.00 175.30 174.05 1i21 n ARG 11 N -0.41 0.98 -3.58 3.89 1.74 -1.26 -1.82 116.66 116.19 1i21 n ARG 11 Ca -0.03 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.99 1i21 n ARG 11 Cb 0.61 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 32.03 1i21 n ARG 11 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1i21 s GLU 13 N 0.00 0.82 0.32 5.56 2.02 -1.26 -4.74 118.70 121.42 1i21 s GLU 13 Ca 0.00 -0.36 0.08 0.00 0.02 0.00 0.00 54.97 54.71 1i21 s GLU 13 Cb 0.00 0.34 0.78 0.00 0.10 0.00 0.00 34.13 35.35 1i21 s GLU 13 CO 0.00 -0.36 1.80 0.93 0.02 0.00 0.00 175.26 177.65 1i21 h GLU 14 N 2.00 0.71 0.00 1.61 5.08 -1.96 0.88 114.58 122.90 1i21 h GLU 14 Ca -0.22 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1i21 h GLU 14 Cb 1.23 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1i21 h GLU 14 CO 0.28 0.47 0.00 0.41 -1.00 0.00 0.00 179.01 179.17 1i21 n GLY 15 N -1.37 -0.93 0.00 -3.84 0.00 -1.26 -3.31 105.19 94.49 1i21 n GLY 15 Ca 0.22 -0.08 0.16 0.00 0.00 0.00 0.00 46.02 46.32 1i21 n GLY 15 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1i21 n ASP 16 N -1.35 0.01 -0.29 1.61 8.00 0.30 -4.54 116.55 120.29 1i21 n ASP 16 Ca 0.07 -0.68 -0.12 0.00 0.71 0.00 0.00 54.79 54.77 1i21 n ASP 16 Cb 0.16 -0.11 -0.10 0.00 -0.02 0.00 0.00 41.12 41.05 1i21 n ASP 16 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1i21 h LEU 17 N 0.01 -2.02 0.21 0.64 5.85 -1.74 -1.47 115.31 116.80 1i21 h LEU 17 Ca 0.00 0.29 0.01 0.00 0.84 0.00 0.00 57.88 59.02 1i21 h LEU 17 Cb 0.11 0.87 -0.04 0.00 0.37 0.00 0.00 40.66 41.97 1i21 h LEU 17 CO 0.00 -0.31 -0.53 -0.33 -0.34 0.00 0.00 178.44 176.93 1i21 h GLU 18 N -0.18 -0.79 -0.64 1.25 3.07 -1.92 -1.30 114.58 114.07 1i21 h GLU 18 Ca 0.13 0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 59.02 1i21 h GLU 18 Cb 0.50 0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 28.55 1i21 h GLU 18 CO -0.79 -0.53 0.32 1.96 -1.40 0.00 0.00 179.01 178.58 1i21 h GLN 19 N -0.82 0.90 -0.11 2.33 4.20 -1.83 -1.21 115.11 118.57 1i21 h GLN 19 Ca -0.02 -0.11 -0.06 0.00 0.06 0.00 0.00 58.65 58.52 1i21 h GLN 19 Cb 0.79 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.40 1i21 h GLN 19 CO -0.23 0.69 -0.17 0.28 -0.67 0.00 0.00 178.83 178.72 1i21 h VAL 20 N 0.90 1.37 -0.59 -0.54 2.07 -1.23 -0.58 116.25 117.66 1i21 h VAL 20 Ca 0.23 -1.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.32 1i21 h VAL 20 Cb 0.07 2.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 1i21 h VAL 20 CO -0.03 0.41 0.27 0.71 0.02 0.00 0.00 177.57 178.94 1i21 h THR 21 N -0.10 1.20 -0.50 2.57 1.35 -1.08 -0.25 112.91 116.10 1i21 h THR 21 Ca 0.01 -0.59 -0.05 0.00 -0.55 0.00 0.00 66.41 65.23 1i21 h THR 21 Cb 0.73 0.46 -0.02 0.00 -1.73 0.00 0.00 68.15 67.59 1i21 h THR 21 CO 0.04 0.24 0.11 -0.08 -0.25 0.00 0.00 175.52 175.58 1i21 h GLU 22 N 0.84 0.81 0.00 4.72 4.81 -1.02 -2.23 114.58 122.51 1i21 h GLU 22 Ca 0.21 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 1i21 h GLU 22 Cb 0.11 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1i21 h GLU 22 CO -0.02 0.79 -0.32 0.00 -0.73 0.00 0.00 179.01 178.72 1i21 h THR 23 N 0.69 0.57 0.00 0.32 1.03 -0.54 -3.09 112.91 111.89 1i21 h THR 23 Ca 0.16 -1.71 -0.02 0.00 -0.01 0.00 0.00 66.41 64.82 1i21 h THR 23 Cb 0.35 2.21 -0.00 0.00 -1.07 0.00 0.00 68.15 69.63 1i21 h THR 23 CO 0.00 0.31 -0.12 -0.07 -0.01 0.00 0.00 175.52 175.64 1i21 h LEU 24 N 0.00 0.00 -2.03 0.00 3.38 -0.91 -2.85 115.31 112.89 1i21 h LEU 24 Ca -0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1i21 h LEU 24 Cb 1.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 1i21 h LEU 24 CO 0.04 0.12 0.07 0.11 0.09 0.00 0.00 178.44 178.87 1i21 h LYS 25 N 0.00 0.00 0.00 1.13 1.57 -1.31 0.16 116.57 118.12 1i21 h LYS 25 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1i21 h LYS 25 Cb 0.70 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 1i21 h LYS 25 CO 0.01 0.00 -0.08 0.28 -0.57 0.00 0.00 179.45 179.10 1i21 h VAL 26 N 0.00 0.61 0.03 0.50 2.07 -1.68 -2.92 116.25 114.86 1i21 h VAL 26 Ca 0.04 -0.34 -0.25 0.00 0.82 0.00 0.00 66.70 66.97 1i21 h VAL 26 Cb 0.18 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1i21 h VAL 26 CO -0.00 0.08 -1.38 0.25 0.02 0.00 0.00 177.57 176.54 1i21 h LEU 27 N 0.00 0.11 0.00 2.57 5.85 -0.89 -3.51 115.31 119.45 1i21 h LEU 27 Ca -0.00 -0.64 0.00 0.00 0.84 0.00 0.00 57.88 58.08 1i21 h LEU 27 Cb 0.21 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1i21 h LEU 27 CO 0.01 1.56 0.00 1.07 -0.34 0.00 0.00 178.44 180.74 1i21 n THR 28 N -4.21 0.00 -3.12 1.05 5.66 -0.88 -5.13 114.28 107.65 1i21 n THR 28 Ca -0.31 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.30 1i21 n THR 28 Cb 0.77 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.49 1i21 n THR 28 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1i21 s THR 29 N -1.57 5.06 -0.21 1.09 2.01 -1.26 -4.19 115.64 116.56 1i21 s THR 29 Ca 0.00 1.26 0.07 0.00 0.31 0.00 0.00 61.69 63.33 1i21 s THR 29 Cb 0.00 -3.96 -0.18 0.00 0.01 0.00 0.00 72.50 68.37 1i21 s THR 29 CO 0.00 0.20 -0.11 1.33 -0.69 0.00 0.00 174.62 175.35 1i21 n VAL 30 N 4.14 1.30 -3.90 3.82 0.24 -1.26 -5.04 118.33 117.63 1i21 n VAL 30 Ca -0.02 -0.61 0.00 0.00 -2.04 0.00 0.00 64.34 61.67 1i21 n VAL 30 Cb 0.51 -1.03 -0.00 0.00 -1.47 0.00 0.00 33.84 31.85 1i21 n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1i21 n GLY 31 N 2.20 -2.05 3.71 7.63 0.00 -1.26 -4.84 105.19 110.58 1i21 n GLY 31 Ca -0.37 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 1i21 n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i21 s THR 32 N -0.04 4.90 -0.09 2.61 2.01 -1.26 -5.03 115.64 118.74 1i21 s THR 32 Ca 0.00 1.93 -0.03 0.00 0.31 0.00 0.00 61.69 63.90 1i21 s THR 32 Cb 0.00 -4.26 0.05 0.00 0.01 0.00 0.00 72.50 68.30 1i21 s THR 32 CO 0.00 0.18 0.15 -0.63 -0.69 0.00 0.00 174.62 173.63 1i21 s ILE 33 N 0.94 -0.23 0.24 1.82 1.01 -1.26 -5.14 121.20 118.58 1i21 s ILE 33 Ca 0.49 0.30 -0.23 0.00 0.00 0.00 0.00 60.65 61.21 1i21 s ILE 33 Cb -0.20 -0.32 -0.09 0.00 0.01 0.00 0.00 42.46 41.86 1i21 s ILE 33 CO 0.26 0.10 0.81 0.42 0.00 0.00 0.00 174.94 176.54 1i21 s THR 34 N 2.27 4.39 0.52 2.92 -4.23 -1.26 -4.91 115.64 115.34 1i21 s THR 34 Ca 0.04 1.58 0.40 0.00 -1.18 0.00 0.00 61.69 62.52 1i21 s THR 34 Cb -0.12 -3.99 0.60 0.00 1.34 0.00 0.00 72.50 70.33 1i21 s THR 34 CO -0.06 0.27 1.68 -0.65 -0.54 0.00 0.00 174.62 175.32 1i21 h PRO 35 N 3.58 0.04 -0.03 3.99 0.11 -1.99 0.10 132.00 137.80 1i21 h PRO 35 Ca -0.47 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 1i21 h PRO 35 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1i21 h PRO 35 CO 0.65 0.03 -0.26 0.93 -0.21 0.00 0.00 178.00 179.14 1i21 h GLU 36 N 0.04 0.22 0.01 1.05 5.08 -2.00 -2.33 114.58 116.66 1i21 h GLU 36 Ca 0.75 -0.21 0.03 0.00 -1.00 0.00 0.00 59.36 58.94 1i21 h GLU 36 Cb 2.85 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 32.11 1i21 h GLU 36 CO -0.10 0.89 -0.23 0.66 -1.00 0.00 0.00 179.01 179.24 1i21 h SER 37 N -0.38 -0.66 -0.69 1.42 4.64 -1.22 -2.37 113.55 114.29 1i21 h SER 37 Ca -0.03 0.09 0.15 0.00 -0.47 0.00 0.00 61.79 61.53 1i21 h SER 37 Cb 0.96 0.27 -0.11 0.00 -0.31 0.00 0.00 62.40 63.22 1i21 h SER 37 CO 0.05 -0.30 0.11 0.15 -0.87 0.00 0.00 176.83 175.98 1i21 h PHE 38 N -0.36 0.16 -0.47 4.77 3.57 -1.32 0.22 116.94 123.50 1i21 h PHE 38 Ca 0.06 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 1i21 h PHE 38 Cb 0.44 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 1i21 h PHE 38 CO -0.26 -0.11 0.15 0.00 -2.23 0.00 0.00 178.31 175.86 1i21 h LYS 40 N 0.67 0.48 0.06 0.00 1.57 -0.61 0.11 116.57 118.85 1i21 h LYS 40 Ca 0.16 -0.29 0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1i21 h LYS 40 Cb 0.19 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1i21 h LYS 40 CO -0.01 0.88 -0.16 1.25 -0.57 0.00 0.00 179.45 180.84 1i21 h LEU 41 N 0.13 -0.44 -1.52 2.94 5.85 0.19 -0.40 115.31 122.06 1i21 h LEU 41 Ca 0.02 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1i21 h LEU 41 Cb 0.83 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 1i21 h LEU 41 CO 0.06 -0.22 0.10 0.40 -0.34 0.00 0.00 178.44 178.44 1i21 h ILE 42 N -0.29 1.13 0.00 4.05 1.08 0.47 -0.41 117.51 123.53 1i21 h ILE 42 Ca 0.03 -0.42 -0.10 0.00 -0.39 0.00 0.00 64.86 63.98 1i21 h ILE 42 Cb 0.32 0.79 -0.01 0.00 -3.07 0.00 0.00 36.82 34.85 1i21 h ILE 42 CO -0.11 0.15 -0.49 0.11 -0.69 0.00 0.00 178.15 177.13 1i21 h LYS 43 N 0.42 0.00 0.24 2.37 1.79 -0.15 -1.07 116.57 120.17 1i21 h LYS 43 Ca 0.10 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.56 1i21 h LYS 43 Cb 0.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1i21 h LYS 43 CO -0.01 0.49 -0.11 -0.92 -1.08 0.00 0.00 179.45 177.82 1i21 h TYR 44 N 0.00 -0.30 -0.12 -1.35 3.20 -0.15 -2.33 116.97 115.92 1i21 h TYR 44 Ca -0.00 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.89 1i21 h TYR 44 Cb 1.11 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 39.48 1i21 h TYR 44 CO 0.00 0.07 0.18 -1.49 -1.64 0.00 0.00 178.16 175.28 1i21 h TRP 45 N -0.75 0.00 0.00 -3.82 6.55 -0.97 0.55 115.95 117.51 1i21 h TRP 45 Ca -0.03 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.81 1i21 h TRP 45 Cb 0.50 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.80 1i21 h TRP 45 CO 0.04 0.00 -0.68 0.09 -1.05 0.00 0.00 178.44 176.84 1i21 n ASN 46 N -3.56 0.67 -0.06 -3.49 3.02 -0.42 -4.28 115.26 107.14 1i21 n ASN 46 Ca 0.00 -0.49 -0.06 0.00 -0.03 0.00 0.00 54.58 54.00 1i21 n ASN 46 Cb 0.28 0.51 -0.10 0.00 -0.61 0.00 0.00 39.78 39.86 1i21 n ASN 46 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1i21 n GLU 47 N -1.52 1.90 -1.65 3.52 1.02 -0.44 -4.98 120.64 118.49 1i21 n GLU 47 Ca 0.05 -0.01 -0.44 0.00 -0.02 0.00 0.00 57.16 56.74 1i21 n GLU 47 Cb 0.34 -1.32 -0.04 0.00 -0.02 0.00 0.00 31.44 30.40 1i21 n GLU 47 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i21 n ALA 48 N -2.45 1.43 -2.37 0.62 0.00 0.06 -4.97 120.51 112.82 1i21 n ALA 48 Ca -0.20 0.16 -0.29 0.00 0.00 0.00 0.00 53.44 53.11 1i21 n ALA 48 Cb 0.89 -2.67 -0.14 0.00 0.00 0.00 0.00 19.45 17.54 1i21 n ALA 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1i21 s THR 49 N 4.94 2.22 -0.29 0.00 2.01 -1.26 -2.03 115.64 121.23 1i21 s THR 49 Ca 0.92 -1.61 -0.11 0.00 0.31 0.00 0.00 61.69 61.20 1i21 s THR 49 Cb -0.49 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.04 1i21 s THR 49 CO 0.44 0.20 0.18 -0.69 -0.69 0.00 0.00 174.62 174.05 1i21 s VAL 50 N -0.96 5.08 0.11 3.82 1.01 0.12 -4.75 120.40 124.84 1i21 s VAL 50 Ca 0.13 -0.01 -0.34 0.00 0.00 0.00 0.00 61.98 61.76 1i21 s VAL 50 Cb -0.10 -3.47 -0.13 0.00 0.00 0.00 0.00 36.38 32.68 1i21 s VAL 50 CO 0.04 0.20 1.63 1.87 0.00 0.00 0.00 175.10 178.85 1i21 n TRP 51 N 5.04 2.29 0.00 5.22 -0.00 -1.26 -4.42 117.44 124.31 1i21 n TRP 51 Ca -0.14 0.21 0.00 0.00 -0.00 0.00 0.00 57.50 57.57 1i21 n TRP 51 Cb 0.51 -2.57 0.00 0.00 -0.00 0.00 0.00 31.31 29.26 1i21 n TRP 51 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 1i21 n ASN 52 N 4.03 0.00 -2.81 5.87 2.04 -1.26 -5.04 115.26 118.09 1i21 n ASN 52 Ca 0.18 0.00 -0.10 0.00 -0.44 0.00 0.00 54.58 54.22 1i21 n ASN 52 Cb 0.29 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.51 1i21 n ASN 52 CO 0.00 0.00 0.00 -0.67 -0.44 0.00 0.00 177.26 176.15 1i21 n ASP 56 N 0.00 2.52 -4.11 0.53 2.03 -1.26 -5.19 116.55 111.08 1i21 n ASP 56 Ca 0.00 -2.05 -0.18 0.00 0.52 0.00 0.00 54.79 53.07 1i21 n ASP 56 Cb 0.00 -0.71 -0.13 0.00 -0.72 0.00 0.00 41.12 39.55 1i21 n ASP 56 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1i21 s LYS 57 N 3.37 0.81 -0.24 -0.67 1.02 -1.26 -5.11 119.74 117.66 1i21 s LYS 57 Ca 0.23 -0.67 -0.07 0.00 0.02 0.00 0.00 55.97 55.48 1i21 s LYS 57 Cb 0.08 -0.78 -0.03 0.00 -0.52 0.00 0.00 37.83 36.58 1i21 s LYS 57 CO -0.01 0.19 0.07 0.21 -0.92 0.00 0.00 175.35 174.89 1i21 s LYS 58 N -1.04 3.67 0.00 1.68 2.20 -1.26 -5.12 119.74 119.87 1i21 s LYS 58 Ca -0.00 -0.47 0.00 0.00 -0.36 0.00 0.00 55.97 55.14 1i21 s LYS 58 Cb -0.07 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.94 1i21 s LYS 58 CO 0.01 -0.16 0.00 -0.89 -0.36 0.00 0.00 175.35 173.95 1i21 n ILE 59 N 4.82 0.00 -0.02 5.43 5.41 -1.26 -5.05 119.36 128.69 1i21 n ILE 59 Ca -0.16 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.55 1i21 n ILE 59 Cb 0.51 -0.52 -0.02 0.00 -0.71 0.00 0.00 39.64 38.90 1i21 n ILE 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1i21 n GLN 61 N -0.44 0.11 -4.33 0.38 6.02 -0.86 0.13 117.38 118.39 1i21 n GLN 61 Ca 0.00 0.03 -0.34 0.00 -0.01 0.00 0.00 57.00 56.68 1i21 n GLN 61 Cb 0.00 -0.97 -0.11 0.00 1.02 0.00 0.00 30.24 30.18 1i21 n GLN 61 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1i21 s TYR 62 N -2.09 3.11 -0.48 1.08 1.51 -1.26 0.39 117.35 119.60 1i21 s TYR 62 Ca -0.06 -0.05 0.06 0.00 -1.01 0.00 0.00 57.07 56.01 1i21 s TYR 62 Cb 0.02 -1.91 0.22 0.00 -0.11 0.00 0.00 41.96 40.18 1i21 s TYR 62 CO 0.10 0.19 0.52 0.09 -1.11 0.00 0.00 175.55 175.34 1i21 n ASN 63 N 3.00 1.05 -4.84 2.29 4.13 -0.88 -4.92 115.26 115.08 1i21 n ASN 63 Ca -0.18 -2.82 -0.32 0.00 1.68 0.00 0.00 54.58 52.94 1i21 n ASN 63 Cb 0.53 -0.64 -0.04 0.00 -1.54 0.00 0.00 39.78 38.09 1i21 n ASN 63 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1i21 s PRO 64 N -1.16 3.99 -0.28 3.52 0.04 -1.26 -2.91 135.00 136.93 1i21 s PRO 64 Ca 0.34 0.88 -0.24 0.00 0.04 0.00 0.00 61.00 62.02 1i21 s PRO 64 Cb 0.11 -2.22 0.13 0.00 0.04 0.00 0.00 34.50 32.55 1i21 s PRO 64 CO -0.12 -0.13 1.04 0.14 0.04 0.00 0.00 177.00 177.97 1i21 s VAL 66 N -2.41 0.00 -0.19 -0.36 -7.23 -0.76 -4.44 120.40 105.00 1i21 s VAL 66 Ca 0.58 0.00 -0.12 0.00 -1.81 0.00 0.00 61.98 60.63 1i21 s VAL 66 Cb -0.10 -1.00 -0.05 0.00 0.56 0.00 0.00 36.38 35.79 1i21 s VAL 66 CO 0.26 0.00 0.22 -0.63 -0.31 0.00 0.00 175.10 174.64 1i21 s ILE 67 N 0.37 5.34 -0.06 -0.62 1.01 0.77 -2.50 121.20 125.51 1i21 s ILE 67 Ca 0.02 0.37 0.04 0.00 0.00 0.00 0.00 60.65 61.08 1i21 s ILE 67 Cb -0.05 -3.56 -0.02 0.00 0.01 0.00 0.00 42.46 38.84 1i21 s ILE 67 CO -0.08 0.38 -0.18 -0.69 0.00 0.00 0.00 174.94 174.37 1i21 s VAL 68 N 0.65 2.73 -0.37 2.92 1.01 0.13 0.09 120.40 127.56 1i21 s VAL 68 Ca 0.12 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 60.98 1i21 s VAL 68 Cb -0.13 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.21 1i21 s VAL 68 CO 0.02 0.58 1.26 -0.62 0.00 0.00 0.00 175.10 176.34 1i21 s ASP 69 N -0.49 6.62 0.52 3.32 -1.08 0.97 -1.27 116.67 125.27 1i21 s ASP 69 Ca 0.06 0.92 0.18 0.00 -0.52 0.00 0.00 52.55 53.19 1i21 s ASP 69 Cb -0.12 -2.54 1.31 0.00 -1.46 0.00 0.00 42.92 40.11 1i21 s ASP 69 CO 0.01 -1.18 2.12 0.50 0.52 0.00 0.00 175.17 177.15 1i21 h LYS 70 N 9.43 0.00 -1.00 4.34 1.63 -1.33 0.97 116.57 130.62 1i21 h LYS 70 Ca -0.25 0.00 0.16 0.00 -0.85 0.00 0.00 60.65 59.71 1i21 h LYS 70 Cb 1.08 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 32.62 1i21 h LYS 70 CO 1.07 0.00 0.62 0.00 -3.45 0.00 0.00 179.45 177.69 1i21 h ARG 71 N 0.00 0.82 0.00 1.90 3.08 -1.90 -3.21 114.38 115.06 1i21 h ARG 71 Ca 0.05 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1i21 h ARG 71 Cb 0.19 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1i21 h ARG 71 CO -0.00 0.54 -0.37 0.25 -1.07 0.00 0.00 179.97 179.32 1i21 n THR 72 N -4.69 0.00 -4.06 2.04 -2.24 -1.16 -5.01 114.28 99.16 1i21 n THR 72 Ca 0.21 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.72 1i21 n THR 72 Cb 0.49 0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 69.26 1i21 n THR 72 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1i21 n GLU 73 N 0.00 -2.67 -4.54 -0.78 -0.58 0.31 -4.96 120.64 107.43 1i21 n GLU 73 Ca 0.00 0.32 -0.34 0.00 -0.42 0.00 0.00 57.16 56.72 1i21 n GLU 73 Cb 0.65 -4.31 -0.11 0.00 -0.57 0.00 0.00 31.44 27.09 1i21 n GLU 73 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1i21 s THR 74 N -4.04 3.82 -0.14 2.62 -4.23 -1.05 -4.89 115.64 107.74 1i21 s THR 74 Ca 0.04 -0.42 -0.29 0.00 -1.18 0.00 0.00 61.69 59.84 1i21 s THR 74 Cb -0.02 -2.60 -0.03 0.00 1.34 0.00 0.00 72.50 71.18 1i21 s THR 74 CO 0.92 0.57 1.54 -0.69 -0.54 0.00 0.00 174.62 176.42 1i21 s VAL 75 N -0.49 3.80 -0.31 2.29 1.01 -1.26 -0.02 120.40 125.41 1i21 s VAL 75 Ca 0.08 0.94 0.22 0.00 0.00 0.00 0.00 61.98 63.22 1i21 s VAL 75 Cb -0.12 -3.68 -0.20 0.00 0.00 0.00 0.00 36.38 32.38 1i21 s VAL 75 CO 0.02 -0.16 0.78 0.00 0.00 0.00 0.00 175.10 175.74 1i21 n ALA 76 N 7.45 3.08 -3.61 5.51 0.00 0.11 -4.83 120.51 128.23 1i21 n ALA 76 Ca 0.17 -0.44 -0.04 0.00 0.00 0.00 0.00 53.44 53.13 1i21 n ALA 76 Cb 0.44 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 1i21 n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i21 s ALA 77 N -3.36 -2.08 0.03 0.00 0.00 -1.08 -0.39 121.76 114.89 1i21 s ALA 77 Ca -0.02 1.71 -0.03 0.00 0.00 0.00 0.00 51.96 53.62 1i21 s ALA 77 Cb 0.13 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 1i21 s ALA 77 CO 0.85 -0.45 0.04 -0.08 0.00 0.00 0.00 175.76 176.12 1i21 s THR 78 N -1.81 0.14 -0.02 0.00 -1.32 -0.14 -0.17 115.64 112.33 1i21 s THR 78 Ca 0.08 -1.17 -0.29 0.00 -1.21 0.00 0.00 61.69 59.10 1i21 s THR 78 Cb -0.01 -0.83 0.09 0.00 -1.51 0.00 0.00 72.50 70.24 1i21 s THR 78 CO -0.05 -0.65 0.80 -0.83 -2.21 0.00 0.00 174.62 171.69 1i21 s GLY 79 N -2.08 -0.48 0.09 6.08 0.00 -1.26 -0.87 107.32 108.82 1i21 s GLY 79 Ca -0.06 1.24 0.04 0.00 0.00 0.00 0.00 44.72 45.94 1i21 s GLY 79 CO -0.04 0.64 -0.11 0.21 0.00 0.00 0.00 173.10 173.80 1i21 s ASN 80 N -1.85 1.47 -0.06 1.64 3.84 -0.61 -4.47 114.94 114.89 1i21 s ASN 80 Ca -0.02 -0.77 -0.01 0.00 0.21 0.00 0.00 52.86 52.27 1i21 s ASN 80 Cb -0.01 -0.00 0.03 0.00 -0.55 0.00 0.00 41.25 40.72 1i21 s ASN 80 CO -0.02 -0.23 0.02 -0.51 -2.79 0.00 0.00 177.10 173.57 1i21 s ILE 81 N -2.20 0.21 -0.16 -5.21 2.07 -1.15 -0.94 121.20 113.83 1i21 s ILE 81 Ca 0.04 0.20 -0.10 0.00 -1.41 0.00 0.00 60.65 59.38 1i21 s ILE 81 Cb -0.04 -0.39 -0.05 0.00 0.13 0.00 0.00 42.46 42.11 1i21 s ILE 81 CO 0.00 0.22 0.17 -0.63 -1.91 0.00 0.00 174.94 172.79 1i21 s ILE 82 N 1.89 5.41 -0.18 2.00 -1.09 -0.06 -2.08 121.20 127.09 1i21 s ILE 82 Ca 0.03 0.27 -0.08 0.00 -2.23 0.00 0.00 60.65 58.64 1i21 s ILE 82 Cb -0.12 -3.48 -0.04 0.00 -1.58 0.00 0.00 42.46 37.24 1i21 s ILE 82 CO -0.04 0.50 0.10 -0.63 -1.23 0.00 0.00 174.94 173.64 1i21 s ILE 83 N -0.17 5.10 -0.01 2.92 -1.09 0.16 -0.21 121.20 127.90 1i21 s ILE 83 Ca 0.12 0.07 0.07 0.00 -2.23 0.00 0.00 60.65 58.68 1i21 s ILE 83 Cb -0.12 -3.30 -0.02 0.00 -1.58 0.00 0.00 42.46 37.44 1i21 s ILE 83 CO 0.01 0.47 -0.22 -0.70 -1.23 0.00 0.00 174.94 173.28 1i21 s GLU 84 N 0.22 1.70 -0.21 2.79 2.12 -0.47 -4.76 118.70 120.09 1i21 s GLU 84 Ca 0.06 -0.81 -0.08 0.00 0.36 0.00 0.00 54.97 54.50 1i21 s GLU 84 Cb -0.12 -1.68 -0.04 0.00 0.26 0.00 0.00 34.13 32.55 1i21 s GLU 84 CO -0.00 0.46 0.10 0.50 -0.54 0.00 0.00 175.26 175.77 1i21 s ARG 85 N -0.63 3.98 0.13 4.30 3.52 -1.26 -0.77 118.95 128.21 1i21 s ARG 85 Ca 0.08 -0.33 0.01 0.00 -0.13 0.00 0.00 55.73 55.36 1i21 s ARG 85 Cb -0.08 -3.34 0.01 0.00 -1.56 0.00 0.00 34.95 29.98 1i21 s ARG 85 CO -0.00 0.16 0.08 1.63 -0.81 0.00 0.00 175.30 176.36 1i21 n LYS 86 N 3.91 1.36 -0.12 5.12 5.02 0.15 -5.00 118.16 128.61 1i21 n LYS 86 Ca -0.16 -0.81 -0.18 0.00 -2.02 0.00 0.00 58.31 55.13 1i21 n LYS 86 Cb 0.52 0.11 -0.10 0.00 -0.02 0.00 0.00 35.03 35.54 1i21 n LYS 86 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1i21 n ILE 87 N -0.74 1.31 -0.53 -0.18 5.41 -1.26 -3.65 119.36 119.72 1i21 n ILE 87 Ca -0.01 -0.46 -0.29 0.00 1.00 0.00 0.00 62.75 62.99 1i21 n ILE 87 Cb 0.15 -1.43 0.24 0.00 -0.71 0.00 0.00 39.64 37.88 1i21 n ILE 87 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1i21 n ILE 88 N -3.39 0.00 -3.78 1.39 -5.35 -1.26 -0.81 119.36 106.16 1i21 n ILE 88 Ca -0.42 -0.33 -0.25 0.00 -0.27 0.00 0.00 62.75 61.47 1i21 n ILE 88 Cb 0.91 -0.99 0.03 0.00 -1.74 0.00 0.00 39.64 37.85 1i21 n ILE 88 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1i21 n HIS 89 N -4.81 -2.10 -3.61 4.28 8.25 -1.26 -1.28 115.22 114.69 1i21 n HIS 89 Ca 0.05 0.87 -0.21 0.00 -0.26 0.00 0.00 57.72 58.18 1i21 n HIS 89 Cb 0.53 -4.26 0.06 0.00 1.12 0.00 0.00 29.99 27.44 1i21 n HIS 89 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1i21 n GLU 90 N -4.46 -5.94 -3.24 -0.41 4.71 -1.22 -1.54 120.64 108.53 1i21 n GLU 90 Ca -0.16 0.72 -0.16 0.00 -0.01 0.00 0.00 57.16 57.56 1i21 n GLU 90 Cb 0.61 -5.54 0.07 0.00 -1.01 0.00 0.00 31.44 25.57 1i21 n GLU 90 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1i21 n LEU 91 N -4.34 -3.32 -4.66 -4.62 4.77 0.01 -4.99 117.00 99.86 1i21 n LEU 91 Ca -0.23 -0.45 -0.28 0.00 -0.03 0.00 0.00 56.01 55.02 1i21 n LEU 91 Cb 0.65 -2.51 0.19 0.00 -2.33 0.00 0.00 43.42 39.42 1i21 n LEU 91 CO 0.66 0.41 0.63 -0.83 -1.33 0.00 0.00 177.39 176.93 1i21 s GLY 92 N -3.62 1.56 -0.11 -0.72 0.00 -0.41 -4.56 107.32 99.46 1i21 s GLY 92 Ca 0.25 -0.38 -0.02 0.00 0.00 0.00 0.00 44.72 44.57 1i21 s GLY 92 CO 0.57 0.26 -0.03 1.08 0.00 0.00 0.00 173.10 174.97 1i21 s LEU 93 N -6.56 3.33 -0.08 0.66 1.43 -1.26 0.34 118.68 116.54 1i21 s LEU 93 Ca 0.66 -0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.77 1i21 s LEU 93 Cb -0.19 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.27 1i21 s LEU 93 CO 0.58 0.29 -0.16 0.00 0.23 0.00 0.00 176.35 177.29 1i21 s GLY 95 N 0.66 2.33 -0.23 0.00 0.00 -0.43 -1.37 107.32 108.29 1i21 s GLY 95 Ca -0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 44.72 44.29 1i21 s GLY 95 CO 0.04 -0.11 -0.01 0.30 0.00 0.00 0.00 173.10 173.33 1i21 s HIS 96 N -1.65 1.84 -0.12 1.90 3.76 0.70 -1.02 115.29 120.71 1i21 s HIS 96 Ca 0.42 -1.43 -0.29 0.00 -0.15 0.00 0.00 55.06 53.61 1i21 s HIS 96 Cb -0.13 -1.40 -0.01 0.00 1.11 0.00 0.00 32.58 32.15 1i21 s HIS 96 CO 0.21 -0.72 1.00 0.42 -0.85 0.00 0.00 174.74 174.80 1i21 s ILE 97 N 1.58 4.78 0.19 0.60 1.01 0.20 -0.88 121.20 128.68 1i21 s ILE 97 Ca -0.02 2.03 0.05 0.00 0.00 0.00 0.00 60.65 62.70 1i21 s ILE 97 Cb -0.18 -4.31 -0.05 0.00 0.01 0.00 0.00 42.46 37.93 1i21 s ILE 97 CO -0.08 -0.01 -0.07 -1.61 0.00 0.00 0.00 174.94 173.17 1i21 s GLU 98 N 2.09 1.21 -1.22 2.79 0.41 -0.11 -4.53 118.70 119.35 1i21 s GLU 98 Ca 0.48 -1.56 -0.27 0.00 -0.41 0.00 0.00 54.97 53.21 1i21 s GLU 98 Cb -0.18 -0.72 0.02 0.00 -1.78 0.00 0.00 34.13 31.47 1i21 s GLU 98 CO 0.17 0.04 0.67 -0.25 -0.49 0.00 0.00 175.26 175.40 1i21 n ASP 99 N -0.31 -4.09 -4.68 -0.19 8.00 -1.26 -1.58 116.55 112.44 1i21 n ASP 99 Ca -0.08 -1.19 -0.41 0.00 0.71 0.00 0.00 54.79 53.81 1i21 n ASP 99 Cb 0.62 -2.30 -0.04 0.00 -0.02 0.00 0.00 41.12 39.38 1i21 n ASP 99 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1i21 s ILE 100 N -3.57 4.87 -0.14 0.53 -1.09 -1.26 -3.98 121.20 116.55 1i21 s ILE 100 Ca 0.44 1.73 -0.06 0.00 -2.23 0.00 0.00 60.65 60.53 1i21 s ILE 100 Cb -0.21 -4.18 0.06 0.00 -1.58 0.00 0.00 42.46 36.55 1i21 s ILE 100 CO 0.93 0.05 0.32 0.00 -1.23 0.00 0.00 174.94 175.01 1i21 s ALA 101 N 1.94 -0.78 -0.19 9.38 0.00 -0.05 -4.90 121.76 127.15 1i21 s ALA 101 Ca 0.41 1.20 -0.11 0.00 0.00 0.00 0.00 51.96 53.46 1i21 s ALA 101 Cb -0.17 -0.95 -0.05 0.00 0.00 0.00 0.00 23.12 21.95 1i21 s ALA 101 CO 0.15 -0.45 0.16 0.08 0.00 0.00 0.00 175.76 175.70 1i21 s VAL 102 N 1.90 5.39 0.56 0.00 1.01 -1.26 -0.96 120.40 127.04 1i21 s VAL 102 Ca -0.05 0.27 -0.20 0.00 0.00 0.00 0.00 61.98 61.99 1i21 s VAL 102 Cb -0.11 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1i21 s VAL 102 CO -0.10 0.43 1.28 0.21 0.00 0.00 0.00 175.10 176.92 1i21 s ASN 103 N 0.34 5.26 0.32 3.32 3.84 0.48 -4.85 114.94 123.64 1i21 s ASN 103 Ca 0.10 2.58 0.02 0.00 0.21 0.00 0.00 52.86 55.77 1i21 s ASN 103 Cb -0.11 -2.62 0.59 0.00 -0.55 0.00 0.00 41.25 38.56 1i21 s ASN 103 CO -0.01 -1.56 1.92 0.77 -2.79 0.00 0.00 177.10 175.43 1i21 h SER 104 N 1.23 0.84 -0.01 -4.21 4.64 -1.90 -1.17 113.55 112.98 1i21 h SER 104 Ca -0.51 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1i21 h SER 104 Cb 1.30 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1i21 h SER 104 CO 0.56 0.53 0.00 0.29 -0.87 0.00 0.00 176.83 177.35 1i21 n LYS 105 N -4.49 1.09 -0.02 4.77 5.02 -1.26 -3.40 118.16 119.86 1i21 n LYS 105 Ca 0.13 -0.13 0.01 0.00 -2.02 0.00 0.00 58.31 56.31 1i21 n LYS 105 Cb 0.22 -1.46 0.02 0.00 -0.02 0.00 0.00 35.03 33.79 1i21 n LYS 105 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1i21 n TYR 106 N -0.81 0.05 -1.13 2.13 4.02 -0.47 -5.04 117.16 115.92 1i21 n TYR 106 Ca 0.22 -0.36 -0.31 0.00 -0.01 0.00 0.00 57.90 57.43 1i21 n TYR 106 Cb 0.13 -0.03 0.11 0.00 -0.02 0.00 0.00 39.34 39.53 1i21 n TYR 106 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1i21 s GLN 107 N -0.76 1.89 -0.71 -0.72 -0.21 -1.07 -3.36 119.66 114.72 1i21 s GLN 107 Ca 0.03 1.35 0.00 0.00 0.02 0.00 0.00 55.36 56.77 1i21 s GLN 107 Cb 0.02 -1.84 0.00 0.00 1.00 0.00 0.00 33.01 32.19 1i21 s GLN 107 CO 0.02 -1.95 0.00 0.41 -2.12 0.00 0.00 175.29 171.66 1i21 n GLY 108 N -0.58 0.75 1.01 3.09 0.00 -1.26 -4.87 105.19 103.33 1i21 n GLY 108 Ca 0.10 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.10 1i21 n GLY 108 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i21 n GLN 109 N -1.06 2.65 -0.73 1.61 6.02 -1.22 -4.95 117.38 119.71 1i21 n GLN 109 Ca -0.07 -2.31 0.00 0.00 -0.01 0.00 0.00 57.00 54.62 1i21 n GLN 109 Cb 0.44 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.27 1i21 n GLN 109 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1i21 n GLY 110 N 1.14 0.74 0.20 1.08 0.00 -1.26 -4.94 105.19 102.15 1i21 n GLY 110 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1i21 n GLY 110 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1i21 h LEU 111 N 0.00 0.16 -0.34 0.99 3.38 -1.92 -2.83 115.31 114.74 1i21 h LEU 111 Ca 0.00 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1i21 h LEU 111 Cb 0.00 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1i21 h LEU 111 CO 0.00 0.51 0.20 1.23 0.09 0.00 0.00 178.44 180.47 1i21 h GLY 112 N 1.13 0.48 1.41 0.83 0.00 -1.93 0.22 103.07 105.21 1i21 h GLY 112 Ca 0.02 -0.16 -0.11 0.00 0.00 0.00 0.00 47.33 47.08 1i21 h GLY 112 CO 0.05 0.14 -0.25 1.70 0.00 0.00 0.00 176.54 178.18 1i21 h LYS 113 N 0.42 0.67 -0.67 4.80 3.64 -1.97 -2.02 116.57 121.44 1i21 h LYS 113 Ca 0.13 -0.28 -0.06 0.00 -1.27 0.00 0.00 60.65 59.18 1i21 h LYS 113 Cb -0.01 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1i21 h LYS 113 CO -0.06 0.86 0.18 -0.07 -2.27 0.00 0.00 179.45 178.10 1i21 h LEU 114 N 0.59 1.01 -0.14 5.20 3.38 -1.14 -1.30 115.31 122.92 1i21 h LEU 114 Ca 0.08 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1i21 h LEU 114 Cb 0.74 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1i21 h LEU 114 CO 0.06 0.97 0.08 0.25 0.09 0.00 0.00 178.44 179.89 1i21 h LEU 115 N 1.00 0.17 -0.09 1.67 5.85 -0.26 -1.11 115.31 122.54 1i21 h LEU 115 Ca 0.21 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1i21 h LEU 115 Cb 0.34 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 1i21 h LEU 115 CO -0.00 0.18 0.06 0.40 -0.34 0.00 0.00 178.44 178.73 1i21 h ILE 116 N 0.14 1.02 -0.84 4.05 1.08 -1.32 -1.11 117.51 120.53 1i21 h ILE 116 Ca 0.05 -0.04 0.13 0.00 -0.39 0.00 0.00 64.86 64.61 1i21 h ILE 116 Cb 0.04 0.89 -0.09 0.00 -3.07 0.00 0.00 36.82 34.60 1i21 h ILE 116 CO -0.01 0.02 0.45 0.44 -0.69 0.00 0.00 178.15 178.36 1i21 h ASP 117 N 0.12 0.58 -0.69 1.72 3.32 -0.95 -0.46 116.42 120.06 1i21 h ASP 117 Ca 0.03 0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 1i21 h ASP 117 Cb -0.01 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1i21 h ASP 117 CO -0.01 0.27 0.12 1.56 -1.72 0.00 0.00 179.24 179.47 1i21 h GLN 118 N 0.68 1.13 -0.35 3.56 1.08 -0.64 -1.67 115.11 118.90 1i21 h GLN 118 Ca 0.44 -0.30 -0.03 0.00 -1.45 0.00 0.00 58.65 57.32 1i21 h GLN 118 Cb 0.57 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 1i21 h GLN 118 CO -0.33 1.02 0.11 -0.07 -0.95 0.00 0.00 178.83 178.61 1i21 h LEU 119 N 1.06 0.51 -0.13 1.46 3.38 0.11 -0.25 115.31 121.45 1i21 h LEU 119 Ca 0.21 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1i21 h LEU 119 Cb 0.43 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1i21 h LEU 119 CO 0.01 0.58 0.00 0.58 0.09 0.00 0.00 178.44 179.70 1i21 h VAL 120 N 0.41 0.91 -0.52 1.22 2.07 -1.12 0.46 116.25 119.69 1i21 h VAL 120 Ca 0.11 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.68 1i21 h VAL 120 Cb 0.25 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 1i21 h VAL 120 CO -0.00 0.01 0.21 0.74 0.02 0.00 0.00 177.57 178.55 1i21 h THR 121 N 0.04 0.87 -0.51 2.57 2.02 -1.07 0.20 112.91 117.03 1i21 h THR 121 Ca 0.06 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 1i21 h THR 121 Cb 0.07 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 1i21 h THR 121 CO -0.10 0.08 0.22 0.40 0.37 0.00 0.00 175.52 176.49 1i21 h ILE 122 N 0.42 1.21 0.02 3.11 2.04 -0.50 -1.44 117.51 122.36 1i21 h ILE 122 Ca 0.24 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 1i21 h ILE 122 Cb 0.23 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1i21 h ILE 122 CO -0.22 0.24 -0.01 1.23 0.00 0.00 0.00 178.15 179.38 1i21 h GLY 123 N 0.68 -0.03 1.77 5.37 0.00 0.29 -2.78 103.07 108.37 1i21 h GLY 123 Ca 0.17 0.01 -0.07 0.00 0.00 0.00 0.00 47.33 47.45 1i21 h GLY 123 CO -0.02 -0.01 -0.20 0.74 0.00 0.00 0.00 176.54 177.05 1i21 h PHE 124 N -0.13 0.30 -0.25 5.60 0.04 -0.60 -2.38 116.94 119.51 1i21 h PHE 124 Ca -0.00 -0.05 -0.06 0.00 2.80 0.00 0.00 57.97 60.66 1i21 h PHE 124 Cb 0.12 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 1i21 h PHE 124 CO -0.04 0.47 -0.11 -0.44 -0.60 0.00 0.00 178.31 177.58 1i21 h ASP 125 N 0.25 0.39 0.71 2.17 3.32 -1.12 -0.93 116.42 121.21 1i21 h ASP 125 Ca 0.05 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 1i21 h ASP 125 Cb 0.50 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1i21 h ASP 125 CO 0.03 0.54 -0.18 1.88 -1.72 0.00 0.00 179.24 179.79 1i21 h TYR 126 N 0.38 0.00 0.00 4.55 0.05 -1.16 -3.46 116.97 117.33 1i21 h TYR 126 Ca 0.08 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.86 1i21 h TYR 126 Cb 0.43 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.17 1i21 h TYR 126 CO 0.01 0.18 0.00 0.41 -1.05 0.00 0.00 178.16 177.71 1i21 n GLY 127 N -0.16 1.44 3.77 3.88 0.00 -0.35 -5.06 105.19 108.71 1i21 n GLY 127 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1i21 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i21 n TYR 129 N 0.72 0.54 -3.48 0.00 0.18 -0.70 -4.72 117.16 109.71 1i21 n TYR 129 Ca 0.01 0.16 -0.10 0.00 1.88 0.00 0.00 57.90 59.85 1i21 n TYR 129 Cb 0.40 -0.65 -0.02 0.00 -0.38 0.00 0.00 39.34 38.68 1i21 n TYR 129 CO 0.00 0.00 0.00 -1.59 -2.08 0.00 0.00 176.86 173.19 1i21 s LYS 130 N -3.14 0.95 -0.05 -3.48 -2.85 -1.26 -5.10 119.74 104.81 1i21 s LYS 130 Ca 0.07 -0.30 0.02 0.00 -1.00 0.00 0.00 55.97 54.76 1i21 s LYS 130 Cb 0.14 0.44 0.02 0.00 -2.06 0.00 0.00 37.83 36.36 1i21 s LYS 130 CO 0.70 -0.41 -0.07 0.42 0.10 0.00 0.00 175.35 176.10 1i21 s ILE 131 N -3.10 0.70 0.26 3.79 1.01 -1.26 -1.32 121.20 121.29 1i21 s ILE 131 Ca 0.03 -0.24 0.08 0.00 0.00 0.00 0.00 60.65 60.52 1i21 s ILE 131 Cb -0.01 -0.69 -0.05 0.00 0.01 0.00 0.00 42.46 41.72 1i21 s ILE 131 CO -0.09 0.26 -0.11 0.27 0.00 0.00 0.00 174.94 175.27 1i21 s ILE 132 N 0.75 1.83 0.15 2.92 -4.36 -0.18 -4.96 121.20 117.33 1i21 s ILE 132 Ca -0.12 -2.20 -0.24 0.00 -0.26 0.00 0.00 60.65 57.84 1i21 s ILE 132 Cb -0.14 -2.30 0.07 0.00 1.25 0.00 0.00 42.46 41.34 1i21 s ILE 132 CO 0.01 -0.41 0.66 -1.48 0.24 0.00 0.00 174.94 173.96 1i21 s LEU 133 N -3.42 -0.50 0.02 0.37 0.05 -1.26 -0.62 118.68 113.32 1i21 s LEU 133 Ca 0.27 -0.07 0.05 0.00 0.05 0.00 0.00 54.13 54.43 1i21 s LEU 133 Cb 0.01 2.52 -0.03 0.00 -2.05 0.00 0.00 46.19 46.63 1i21 s LEU 133 CO 0.11 -0.95 -0.12 -1.81 -0.55 0.00 0.00 176.35 173.03 1i21 s ASP 134 N -2.73 4.25 0.30 1.48 1.01 -1.26 -5.04 116.67 114.68 1i21 s ASP 134 Ca 0.03 -0.27 -0.08 0.00 0.71 0.00 0.00 52.55 52.94 1i21 s ASP 134 Cb -0.02 -0.87 0.00 0.00 1.01 0.00 0.00 42.92 43.05 1i21 s ASP 134 CO -0.10 0.27 0.48 0.00 0.21 0.00 0.00 175.17 176.03 1i21 s ASP 136 N -3.13 6.45 0.26 0.00 1.01 -1.26 -4.97 116.67 115.03 1i21 s ASP 136 Ca 0.27 0.91 -0.01 0.00 0.71 0.00 0.00 52.55 54.42 1i21 s ASP 136 Cb -0.00 -2.23 0.49 0.00 1.01 0.00 0.00 42.92 42.18 1i21 s ASP 136 CO 0.15 -0.33 1.81 -0.08 0.21 0.00 0.00 175.17 176.93 1i21 h GLU 137 N 1.31 0.82 -0.00 8.23 4.22 -2.01 0.42 114.58 127.56 1i21 h GLU 137 Ca -0.47 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 58.92 1i21 h GLU 137 Cb 1.19 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 1i21 h GLU 137 CO 0.64 0.54 0.00 1.57 -2.18 0.00 0.00 179.01 179.59 1i21 h LYS 138 N 0.84 0.00 -0.50 1.92 2.10 -2.06 -1.21 116.57 117.66 1i21 h LYS 138 Ca 0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.10 1i21 h LYS 138 Cb 0.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 1i21 h LYS 138 CO -0.28 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.26 1i21 n ASN 139 N -3.17 3.47 -0.34 7.07 3.02 0.13 -4.46 115.26 120.97 1i21 n ASN 139 Ca -0.03 -1.97 -0.02 0.00 -0.03 0.00 0.00 54.58 52.54 1i21 n ASN 139 Cb 0.07 -0.33 0.11 0.00 -0.61 0.00 0.00 39.78 39.02 1i21 n ASN 139 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1i21 h VAL 140 N 3.78 1.20 0.55 2.41 2.07 -1.10 -2.24 116.25 122.91 1i21 h VAL 140 Ca 0.00 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 1i21 h VAL 140 Cb 0.91 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1i21 h VAL 140 CO 0.00 0.22 -0.35 0.11 0.02 0.00 0.00 177.57 177.57 1i21 h LYS 141 N 1.22 -0.83 -0.56 1.57 1.79 -1.78 -0.42 116.57 117.56 1i21 h LYS 141 Ca 0.35 0.06 0.11 0.00 -2.18 0.00 0.00 60.65 58.99 1i21 h LYS 141 Cb -0.08 0.19 -0.10 0.00 -1.58 0.00 0.00 32.23 30.65 1i21 h LYS 141 CO -0.09 -0.55 -0.11 0.35 -1.08 0.00 0.00 179.45 177.96 1i21 h PHE 142 N -0.86 -0.25 0.00 -1.35 3.57 -1.80 0.23 116.94 116.48 1i21 h PHE 142 Ca -0.06 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1i21 h PHE 142 Cb 0.71 0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.64 1i21 h PHE 142 CO -0.11 -0.22 0.00 1.88 -2.23 0.00 0.00 178.31 177.63 1i21 h TYR 143 N 0.02 0.00 -0.15 0.41 -1.99 -1.18 -1.27 116.97 112.81 1i21 h TYR 143 Ca 0.28 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.86 1i21 h TYR 143 Cb 0.43 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.15 1i21 h TYR 143 CO -0.44 0.00 -0.52 0.93 -0.00 0.00 0.00 178.16 178.13 1i21 h GLU 144 N 0.00 0.41 0.00 4.88 5.08 0.11 0.19 114.58 125.25 1i21 h GLU 144 Ca 0.00 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.06 1i21 h GLU 144 Cb 0.47 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1i21 h GLU 144 CO 0.00 0.83 -0.25 0.87 -1.00 0.00 0.00 179.01 179.46 1i21 h LYS 145 N 0.32 0.00 -0.12 2.33 1.57 -0.03 -1.31 116.57 119.33 1i21 h LYS 145 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1i21 h LYS 145 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.33 1i21 h LYS 145 CO 0.09 0.25 0.00 0.00 -0.57 0.00 0.00 179.45 179.22 1i21 n GLY 147 N 1.01 0.81 3.90 0.00 0.00 -0.49 -4.94 105.19 105.47 1i21 n GLY 147 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 1i21 n GLY 147 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i21 s PHE 148 N -2.07 3.57 0.11 1.61 0.40 0.62 -4.99 117.98 117.23 1i21 s PHE 148 Ca 0.00 0.88 0.07 0.00 -0.60 0.00 0.00 56.93 57.28 1i21 s PHE 148 Cb 0.00 -2.36 -0.04 0.00 0.51 0.00 0.00 43.02 41.13 1i21 s PHE 148 CO 0.00 -0.32 -0.16 -1.12 0.70 0.00 0.00 175.22 174.32 1i21 s SER 149 N -4.06 2.12 0.26 1.36 0.01 -1.26 -4.15 113.70 107.98 1i21 s SER 149 Ca 0.48 -0.75 -0.30 0.00 1.31 0.00 0.00 55.95 56.70 1i21 s SER 149 Cb -0.10 -0.09 -0.10 0.00 0.21 0.00 0.00 66.02 65.94 1i21 s SER 149 CO 0.45 -0.07 1.43 0.21 0.41 0.00 0.00 173.24 175.67 1i21 s ASN 150 N -2.21 6.65 0.00 2.44 3.84 -1.26 -4.88 114.94 119.52 1i21 s ASN 150 Ca 0.07 2.68 0.00 0.00 0.21 0.00 0.00 52.86 55.82 1i21 s ASN 150 Cb -0.07 -2.63 0.00 0.00 -0.55 0.00 0.00 41.25 38.00 1i21 s ASN 150 CO 0.04 -0.70 0.00 0.00 -2.79 0.00 0.00 177.10 173.65 1i21 n ALA 151 N 2.20 0.26 0.00 1.71 0.00 -1.26 -5.14 120.51 118.28 1i21 n ALA 151 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1i21 n ALA 151 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 1i21 n ALA 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i21 n GLY 152 N 0.14 -0.54 3.21 0.00 0.00 -1.26 -5.14 105.19 101.60 1i21 n GLY 152 Ca 0.00 -0.82 -0.26 0.00 0.00 0.00 0.00 46.02 44.94 1i21 n GLY 152 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i21 s VAL 153 N -3.10 1.56 0.73 1.61 1.01 -1.26 -5.14 120.40 115.81 1i21 s VAL 153 Ca 0.00 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 61.04 1i21 s VAL 153 Cb 0.00 -1.32 0.14 0.00 0.00 0.00 0.00 36.38 35.21 1i21 s VAL 153 CO 0.00 0.36 0.99 1.21 0.00 0.00 0.00 175.10 177.66 1i21 n GLU 154 N 2.36 -0.10 0.00 2.72 2.13 -1.26 -5.20 120.64 121.29 1i21 n GLU 154 Ca -0.16 -2.72 0.00 0.00 0.66 0.00 0.00 57.16 54.94 1i21 n GLU 154 Cb 0.53 -0.66 0.00 0.00 0.27 0.00 0.00 31.44 31.59 1i21 n GLU 154 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1i21 n GLN 156 N -2.83 0.00 -3.68 5.31 10.64 -1.26 -5.17 117.38 120.39 1i21 n GLN 156 Ca 0.16 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 55.21 1i21 n GLN 156 Cb 0.59 0.00 -0.12 0.00 -0.86 0.00 0.00 30.24 29.85 1i21 n GLN 156 CO 0.00 0.00 0.00 -1.50 -1.83 0.00 0.00 177.06 173.73 1i21 s ILE 157 N -2.00 -0.35 -2.97 -0.39 2.07 -1.26 -5.40 121.20 110.89 1i21 s ILE 157 Ca 0.00 0.23 0.24 0.00 -1.41 0.00 0.00 60.65 59.71 1i21 s ILE 157 Cb 0.00 -0.47 0.21 0.00 0.13 0.00 0.00 42.46 42.32 1i21 s ILE 157 CO 0.00 0.10 1.28 0.54 -1.91 0.00 0.00 174.94 174.95