#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nn5 s ARG 5 N 0.00 2.37 0.76 5.56 1.70 -1.26 -3.97 118.95 124.11 1nn5 s ARG 5 Ca 0.00 1.14 -0.12 0.00 -0.47 0.00 0.00 55.73 56.28 1nn5 s ARG 5 Cb 0.00 -1.91 0.05 0.00 -0.57 0.00 0.00 34.95 32.51 1nn5 s ARG 5 CO 0.00 -1.55 1.13 0.20 -1.08 0.00 0.00 175.30 173.99 1nn5 s GLY 6 N -3.44 1.61 0.17 3.88 0.00 -0.28 -4.84 107.32 104.42 1nn5 s GLY 6 Ca 0.61 -0.44 -0.05 0.00 0.00 0.00 0.00 44.72 44.84 1nn5 s GLY 6 CO 0.56 -0.01 0.41 0.00 0.00 0.00 0.00 173.10 174.05 1nn5 s ALA 7 N -3.41 3.76 -0.39 3.20 0.00 -1.26 -4.84 121.76 118.82 1nn5 s ALA 7 Ca 0.60 -0.57 -0.09 0.00 0.00 0.00 0.00 51.96 51.90 1nn5 s ALA 7 Cb -0.12 -2.15 0.06 0.00 0.00 0.00 0.00 23.12 20.91 1nn5 s ALA 7 CO 0.51 0.59 0.21 -1.17 0.00 0.00 0.00 175.76 175.90 1nn5 s LEU 8 N -2.84 4.85 -0.19 0.00 2.96 -1.26 -1.05 118.68 121.15 1nn5 s LEU 8 Ca 0.41 -1.32 -0.02 0.00 -0.22 0.00 0.00 54.13 52.98 1nn5 s LEU 8 Cb -0.12 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.61 1nn5 s LEU 8 CO 0.25 -0.45 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.12 1nn5 s ILE 9 N 1.44 3.17 -0.04 6.68 1.01 0.48 -0.19 121.20 133.75 1nn5 s ILE 9 Ca 0.02 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.11 1nn5 s ILE 9 Cb -0.21 -2.40 -0.03 0.00 0.01 0.00 0.00 42.46 39.83 1nn5 s ILE 9 CO 0.03 0.47 -0.08 -0.69 0.00 0.00 0.00 174.94 174.67 1nn5 s VAL 10 N 1.10 3.59 -0.16 2.92 1.01 -0.34 -0.45 120.40 128.06 1nn5 s VAL 10 Ca 0.01 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 1nn5 s VAL 10 Cb -0.15 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 1nn5 s VAL 10 CO -0.02 0.53 -0.07 -0.76 0.00 0.00 0.00 175.10 174.78 1nn5 s LEU 11 N -1.00 2.98 0.29 3.92 1.02 0.22 -0.46 118.68 125.64 1nn5 s LEU 11 Ca 0.14 -0.26 0.04 0.00 0.02 0.00 0.00 54.13 54.07 1nn5 s LEU 11 Cb -0.11 -1.72 -0.06 0.00 0.02 0.00 0.00 46.19 44.33 1nn5 s LEU 11 CO 0.03 0.12 0.02 -1.61 0.02 0.00 0.00 176.35 174.93 1nn5 s GLU 12 N 0.66 1.54 0.00 1.70 0.41 0.24 -1.22 118.70 122.02 1nn5 s GLU 12 Ca -0.04 -1.82 0.00 0.00 -0.41 0.00 0.00 54.97 52.70 1nn5 s GLU 12 Cb -0.15 -0.82 0.00 0.00 -1.78 0.00 0.00 34.13 31.38 1nn5 s GLU 12 CO 0.02 -0.13 0.00 0.41 -0.49 0.00 0.00 175.26 175.08 1nn5 n GLY 13 N -0.58 2.84 3.60 -1.39 0.00 -1.26 -0.86 105.19 107.53 1nn5 n GLY 13 Ca -0.03 -1.11 -0.28 0.00 0.00 0.00 0.00 46.02 44.59 1nn5 n GLY 13 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nn5 s VAL 14 N -2.00 2.00 0.35 1.61 -7.23 -1.26 -4.90 120.40 108.96 1nn5 s VAL 14 Ca 0.00 0.00 -0.28 0.00 -1.81 0.00 0.00 61.98 59.89 1nn5 s VAL 14 Cb 0.00 -2.34 -0.12 0.00 0.56 0.00 0.00 36.38 34.48 1nn5 s VAL 14 CO 0.00 0.00 1.37 0.47 -0.31 0.00 0.00 175.10 176.63 1nn5 n ASP 15 N -4.49 3.15 -0.27 4.85 9.92 -1.26 -2.51 116.55 125.94 1nn5 n ASP 15 Ca 0.04 1.21 -0.04 0.00 -0.53 0.00 0.00 54.79 55.48 1nn5 n ASP 15 Cb 0.56 -1.53 -0.02 0.00 -0.64 0.00 0.00 41.12 39.50 1nn5 n ASP 15 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1nn5 n ARG 16 N 0.63 -0.91 0.25 -1.24 1.74 -1.26 -4.84 116.66 111.04 1nn5 n ARG 16 Ca 0.04 0.46 0.17 0.00 -0.77 0.00 0.00 57.85 57.74 1nn5 n ARG 16 Cb 0.37 -4.27 0.68 0.00 -1.02 0.00 0.00 32.46 28.22 1nn5 n ARG 16 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nn5 h ALA 17 N 0.00 1.00 0.00 7.54 0.00 -1.82 -3.46 119.26 122.52 1nn5 h ALA 17 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1nn5 h ALA 17 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1nn5 h ALA 17 CO 0.11 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.77 1nn5 n GLY 18 N -0.05 1.38 0.10 0.00 0.00 -1.26 -4.86 105.19 100.50 1nn5 n GLY 18 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 1nn5 n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nn5 h LYS 19 N 0.84 -0.04 -0.23 1.61 1.57 -1.91 0.73 116.57 119.15 1nn5 h LYS 19 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 1nn5 h LYS 19 Cb 0.00 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1nn5 h LYS 19 CO 0.00 -0.02 -0.31 0.77 -0.57 0.00 0.00 179.45 179.31 1nn5 h SER 20 N -0.04 0.67 -0.11 0.86 0.02 -1.97 0.44 113.55 113.42 1nn5 h SER 20 Ca 0.07 -0.51 0.03 0.00 -0.84 0.00 0.00 61.79 60.54 1nn5 h SER 20 Cb 0.14 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 1nn5 h SER 20 CO -0.15 1.04 -0.05 0.74 -1.14 0.00 0.00 176.83 177.27 1nn5 h THR 21 N 0.30 0.82 0.00 -2.27 2.02 -1.96 -1.44 112.91 110.39 1nn5 h THR 21 Ca 0.02 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.12 1nn5 h THR 21 Cb 0.89 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1nn5 h THR 21 CO 0.07 0.00 -0.43 1.56 0.37 0.00 0.00 175.52 177.10 1nn5 h GLN 22 N -0.04 0.00 -0.34 6.66 1.08 -0.83 -1.04 115.11 120.61 1nn5 h GLN 22 Ca 0.06 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.19 1nn5 h GLN 22 Cb 0.14 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 1nn5 h GLN 22 CO -0.14 0.43 -0.07 0.66 -0.95 0.00 0.00 178.83 178.75 1nn5 h SER 23 N 0.00 0.65 -0.13 1.46 4.64 -0.57 0.05 113.55 119.66 1nn5 h SER 23 Ca -0.00 -0.36 -0.01 0.00 -0.47 0.00 0.00 61.79 60.95 1nn5 h SER 23 Cb 0.77 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 1nn5 h SER 23 CO 0.06 0.86 0.06 0.03 -0.87 0.00 0.00 176.83 176.96 1nn5 h ARG 24 N 0.43 0.19 -0.16 4.77 3.08 -1.10 -2.23 114.38 119.36 1nn5 h ARG 24 Ca 0.09 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 1nn5 h ARG 24 Cb 0.57 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1nn5 h ARG 24 CO 0.03 0.27 -0.17 0.87 -1.07 0.00 0.00 179.97 179.90 1nn5 h LYS 25 N 0.06 0.26 -0.22 0.04 1.57 -1.13 -2.06 116.57 115.10 1nn5 h LYS 25 Ca 0.04 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1nn5 h LYS 25 Cb 0.15 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1nn5 h LYS 25 CO -0.00 0.44 -0.09 1.25 -0.57 0.00 0.00 179.45 180.47 1nn5 h LEU 26 N 0.25 0.46 -0.69 2.94 5.85 -0.70 -0.93 115.31 122.48 1nn5 h LEU 26 Ca 0.05 -0.40 -0.03 0.00 0.84 0.00 0.00 57.88 58.34 1nn5 h LEU 26 Cb 0.45 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1nn5 h LEU 26 CO 0.03 0.76 0.33 0.58 -0.34 0.00 0.00 178.44 179.79 1nn5 h VAL 27 N 0.15 1.23 -0.45 1.05 2.07 -1.21 -0.03 116.25 119.07 1nn5 h VAL 27 Ca 0.05 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 66.91 1nn5 h VAL 27 Cb 0.58 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1nn5 h VAL 27 CO 0.03 0.27 0.29 -0.08 0.02 0.00 0.00 177.57 178.11 1nn5 h GLU 28 N 0.97 0.58 -0.48 1.57 4.81 -1.23 -1.36 114.58 119.44 1nn5 h GLU 28 Ca 0.24 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.32 1nn5 h GLU 28 Cb 0.13 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1nn5 h GLU 28 CO -0.03 0.39 -0.12 0.00 -0.73 0.00 0.00 179.01 178.52 1nn5 h ALA 29 N 1.17 0.66 -0.34 2.92 0.00 -0.78 -1.32 119.26 121.57 1nn5 h ALA 29 Ca 0.17 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1nn5 h ALA 29 Cb -0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1nn5 h ALA 29 CO -0.04 0.57 0.13 -0.07 0.00 0.00 0.00 179.25 179.84 1nn5 h LEU 30 N 0.78 0.48 -1.09 0.00 3.38 -0.80 -2.07 115.31 115.99 1nn5 h LEU 30 Ca 0.12 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1nn5 h LEU 30 Cb 0.68 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1nn5 h LEU 30 CO 0.05 0.52 -0.01 0.00 0.09 0.00 0.00 178.44 179.10 1nn5 h ALA 32 N 1.39 1.03 -0.50 0.00 0.00 -0.99 -1.82 119.26 118.37 1nn5 h ALA 32 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1nn5 h ALA 32 Cb 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1nn5 h ALA 32 CO 0.01 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1nn5 n ALA 33 N -2.12 3.39 -0.85 0.00 0.00 -0.65 -4.93 120.51 115.36 1nn5 n ALA 33 Ca -0.00 -1.46 0.00 0.00 0.00 0.00 0.00 53.44 51.97 1nn5 n ALA 33 Cb 0.28 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1nn5 n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nn5 n GLY 34 N 0.71 0.82 3.88 0.00 0.00 -0.68 -5.04 105.19 104.87 1nn5 n GLY 34 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 1nn5 n GLY 34 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nn5 s HIS 35 N -3.20 3.57 -0.39 1.61 4.02 -0.55 -5.00 115.29 115.35 1nn5 s HIS 35 Ca 0.00 1.08 -0.17 0.00 1.02 0.00 0.00 55.06 56.99 1nn5 s HIS 35 Cb 0.00 -2.52 0.01 0.00 -1.02 0.00 0.00 32.58 29.04 1nn5 s HIS 35 CO 0.00 -0.42 0.46 1.03 1.02 0.00 0.00 174.74 176.83 1nn5 s ARG 36 N -4.73 3.36 -0.00 1.40 0.52 -1.26 -3.99 118.95 114.25 1nn5 s ARG 36 Ca 0.52 -0.49 -0.02 0.00 -0.52 0.00 0.00 55.73 55.22 1nn5 s ARG 36 Cb -0.11 -3.89 -0.00 0.00 0.52 0.00 0.00 34.95 31.48 1nn5 s ARG 36 CO 0.45 -0.73 0.04 0.00 0.02 0.00 0.00 175.30 175.08 1nn5 s ALA 37 N 2.24 -0.08 0.08 2.13 0.00 -1.26 -0.80 121.76 124.07 1nn5 s ALA 37 Ca 0.15 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.01 1nn5 s ALA 37 Cb -0.16 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 1nn5 s ALA 37 CO 0.14 -0.09 -0.08 -1.21 0.00 0.00 0.00 175.76 174.52 1nn5 s GLU 38 N -0.62 0.73 -0.11 0.00 2.02 0.00 -4.87 118.70 115.85 1nn5 s GLU 38 Ca -0.07 -1.10 -0.11 0.00 0.02 0.00 0.00 54.97 53.72 1nn5 s GLU 38 Cb -0.04 -0.30 -0.05 0.00 0.10 0.00 0.00 34.13 33.84 1nn5 s GLU 38 CO -0.00 0.03 0.24 -1.17 0.02 0.00 0.00 175.26 174.38 1nn5 s LEU 39 N -2.41 4.36 0.19 1.80 2.96 -1.26 -1.04 118.68 123.28 1nn5 s LEU 39 Ca 0.03 0.58 0.05 0.00 -0.22 0.00 0.00 54.13 54.57 1nn5 s LEU 39 Cb -0.02 -2.27 -0.05 0.00 0.50 0.00 0.00 46.19 44.36 1nn5 s LEU 39 CO -0.02 0.30 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.47 1nn5 s LEU 40 N -0.58 2.42 0.05 -0.68 1.43 0.18 -4.95 118.68 116.56 1nn5 s LEU 40 Ca 0.17 -1.09 -0.10 0.00 -1.03 0.00 0.00 54.13 52.07 1nn5 s LEU 40 Cb -0.13 -0.39 0.01 0.00 0.03 0.00 0.00 46.19 45.70 1nn5 s LEU 40 CO 0.06 -0.36 0.22 0.00 0.23 0.00 0.00 176.35 176.49 1nn5 s ARG 41 N -3.77 0.76 0.00 1.70 3.03 -1.26 -1.18 118.95 118.23 1nn5 s ARG 41 Ca 0.22 -0.68 0.04 0.00 2.03 0.00 0.00 55.73 57.34 1nn5 s ARG 41 Cb 0.03 0.32 -0.01 0.00 -1.03 0.00 0.00 34.95 34.26 1nn5 s ARG 41 CO 0.05 -0.23 -0.12 -0.06 -1.13 0.00 0.00 175.30 173.80 1nn5 s PHE 42 N -2.89 1.08 0.60 5.89 0.40 -0.47 -3.41 117.98 119.18 1nn5 s PHE 42 Ca -0.03 -0.25 -0.18 0.00 -0.60 0.00 0.00 56.93 55.88 1nn5 s PHE 42 Cb 0.00 -0.68 -0.03 0.00 0.51 0.00 0.00 43.02 42.82 1nn5 s PHE 42 CO -0.06 -0.01 1.18 -1.25 0.70 0.00 0.00 175.22 175.79 1nn5 s PRO 43 N -0.53 2.97 -0.57 0.24 0.04 -1.26 -4.61 135.00 131.28 1nn5 s PRO 43 Ca 0.03 1.74 -0.19 0.00 0.04 0.00 0.00 61.00 62.62 1nn5 s PRO 43 Cb -0.06 -1.94 0.08 0.00 0.04 0.00 0.00 34.50 32.63 1nn5 s PRO 43 CO 0.00 -1.19 0.71 -2.00 0.04 0.00 0.00 177.00 174.56 1nn5 s GLU 44 N -3.44 3.09 0.00 4.56 2.56 -1.22 -4.93 118.70 119.32 1nn5 s GLU 44 Ca 0.75 -1.09 0.31 0.00 0.00 0.00 0.00 54.97 54.94 1nn5 s GLU 44 Cb -0.28 -4.20 1.76 0.00 2.00 0.00 0.00 34.13 33.42 1nn5 s GLU 44 CO 0.33 -1.45 2.16 0.54 -0.56 0.00 0.00 175.26 176.29 1nn5 n ARG 45 N 6.43 0.79 0.21 4.30 1.74 -1.26 -3.74 116.66 125.13 1nn5 n ARG 45 Ca -0.08 -0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.10 1nn5 n ARG 45 Cb 0.44 -1.50 0.36 0.00 -1.02 0.00 0.00 32.46 30.73 1nn5 n ARG 45 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1nn5 h SER 46 N 0.01 0.00 -3.33 0.55 4.64 -1.91 -2.98 113.55 110.53 1nn5 h SER 46 Ca 0.00 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.87 1nn5 h SER 46 Cb 0.11 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.27 1nn5 h SER 46 CO 0.00 0.21 0.16 0.42 -0.87 0.00 0.00 176.83 176.75 1nn5 s THR 47 N -3.44 2.34 0.16 2.95 -4.23 -1.25 -4.83 115.64 107.35 1nn5 s THR 47 Ca 0.02 -0.38 -0.15 0.00 -1.18 0.00 0.00 61.69 60.00 1nn5 s THR 47 Cb 0.09 -2.96 0.05 0.00 1.34 0.00 0.00 72.50 71.01 1nn5 s THR 47 CO 0.65 0.00 1.74 -0.33 -0.54 0.00 0.00 174.62 176.14 1nn5 h GLU 48 N -0.48 0.23 -0.54 3.99 5.08 -1.93 0.23 114.58 121.17 1nn5 h GLU 48 Ca -0.43 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.90 1nn5 h GLU 48 Cb 1.30 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 1nn5 h GLU 48 CO 0.56 0.15 0.26 0.82 -1.00 0.00 0.00 179.01 179.80 1nn5 h ILE 49 N 0.24 1.20 -0.92 3.13 2.04 -1.93 -2.75 117.51 118.52 1nn5 h ILE 49 Ca 0.19 -0.56 0.06 0.00 1.00 0.00 0.00 64.86 65.54 1nn5 h ILE 49 Cb 0.20 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 36.80 1nn5 h ILE 49 CO -0.22 0.22 0.60 1.23 0.00 0.00 0.00 178.15 179.98 1nn5 h GLY 50 N 0.72 1.34 1.07 5.37 0.00 -1.39 -1.80 103.07 108.38 1nn5 h GLY 50 Ca 0.19 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 1nn5 h GLY 50 CO -0.02 0.32 0.25 0.50 0.00 0.00 0.00 176.54 177.58 1nn5 h LYS 51 N 1.06 1.17 -0.74 4.80 1.57 -0.29 0.21 116.57 124.34 1nn5 h LYS 51 Ca 0.39 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1nn5 h LYS 51 Cb 0.16 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1nn5 h LYS 51 CO -0.14 0.98 0.34 -0.07 -0.57 0.00 0.00 179.45 179.99 1nn5 h LEU 52 N 1.12 0.97 -0.53 2.94 3.38 -1.24 -1.00 115.31 120.95 1nn5 h LEU 52 Ca 0.25 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 1nn5 h LEU 52 Cb 0.29 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1nn5 h LEU 52 CO -0.01 0.83 -0.36 -0.07 0.09 0.00 0.00 178.44 178.92 1nn5 h LEU 53 N 1.05 0.85 -0.51 1.67 3.38 -0.94 -1.70 115.31 119.11 1nn5 h LEU 53 Ca 0.25 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 1nn5 h LEU 53 Cb 0.13 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1nn5 h LEU 53 CO -0.03 1.12 0.01 -1.28 0.09 0.00 0.00 178.44 178.34 1nn5 h SER 54 N 0.66 0.88 -0.76 -0.43 0.87 -0.65 -1.30 113.55 112.82 1nn5 h SER 54 Ca 0.06 -0.30 -0.06 0.00 -1.23 0.00 0.00 61.79 60.26 1nn5 h SER 54 Cb 0.92 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.61 1nn5 h SER 54 CO 0.08 0.97 0.25 -1.28 -0.53 0.00 0.00 176.83 176.32 1nn5 h SER 55 N 0.77 1.10 -0.09 6.23 0.87 -1.06 -1.82 113.55 119.55 1nn5 h SER 55 Ca 0.15 -0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1nn5 h SER 55 Cb 0.52 -0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1nn5 h SER 55 CO 0.03 1.01 0.05 0.22 -0.53 0.00 0.00 176.83 177.61 1nn5 h TYR 56 N 1.13 0.12 -0.02 2.24 3.20 -1.09 -0.89 116.97 121.66 1nn5 h TYR 56 Ca 0.25 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.07 1nn5 h TYR 56 Cb 0.30 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1nn5 h TYR 56 CO 0.03 0.12 -0.20 -0.07 -1.64 0.00 0.00 178.16 176.39 1nn5 h LEU 57 N 0.09 0.03 0.00 2.82 3.38 -1.02 -0.96 115.31 119.65 1nn5 h LEU 57 Ca 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1nn5 h LEU 57 Cb 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1nn5 h LEU 57 CO -0.01 0.23 0.00 0.00 0.09 0.00 0.00 178.44 178.76 1nn5 n GLN 58 N -4.29 0.48 -1.67 1.13 6.02 -0.71 -0.41 117.38 117.93 1nn5 n GLN 58 Ca -0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.86 1nn5 n GLN 58 Cb 0.27 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.00 1nn5 n GLN 58 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1nn5 n LYS 59 N -1.26 -0.85 0.04 -1.09 5.02 -0.36 -4.86 118.16 114.80 1nn5 n LYS 59 Ca 0.15 0.77 0.12 0.00 -2.02 0.00 0.00 58.31 57.33 1nn5 n LYS 59 Cb 0.22 -4.82 0.21 0.00 -0.02 0.00 0.00 35.03 30.62 1nn5 n LYS 59 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1nn5 n LYS 60 N -2.45 0.19 -3.81 1.97 5.02 -0.39 -4.87 118.16 113.82 1nn5 n LYS 60 Ca -0.12 0.05 -0.11 0.00 -2.02 0.00 0.00 58.31 56.11 1nn5 n LYS 60 Cb 0.47 -1.62 -0.08 0.00 -0.02 0.00 0.00 35.03 33.78 1nn5 n LYS 60 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1nn5 s SER 61 N -3.79 -0.04 -0.07 4.39 1.04 -1.16 -4.96 113.70 109.12 1nn5 s SER 61 Ca 0.08 -0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.25 1nn5 s SER 61 Cb 0.15 0.31 -0.03 0.00 0.10 0.00 0.00 66.02 66.55 1nn5 s SER 61 CO 0.71 -0.57 -0.08 -1.81 0.98 0.00 0.00 173.24 172.47 1nn5 s ASP 62 N -2.02 4.56 -0.02 7.02 1.01 -1.26 -4.33 116.67 121.63 1nn5 s ASP 62 Ca -0.06 -0.05 0.01 0.00 0.71 0.00 0.00 52.55 53.16 1nn5 s ASP 62 Cb -0.01 -1.14 0.02 0.00 1.01 0.00 0.00 42.92 42.79 1nn5 s ASP 62 CO -0.03 0.36 -0.02 -0.69 0.21 0.00 0.00 175.17 175.00 1nn5 s VAL 63 N -0.77 0.25 0.30 -1.27 1.01 -1.26 -5.06 120.40 113.61 1nn5 s VAL 63 Ca 0.12 -0.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.79 1nn5 s VAL 63 Cb -0.11 -0.29 -0.13 0.00 0.00 0.00 0.00 36.38 35.84 1nn5 s VAL 63 CO 0.01 0.13 1.21 1.21 0.00 0.00 0.00 175.10 177.66 1nn5 n GLU 64 N 3.73 1.81 -0.37 2.72 0.00 -1.26 -4.73 120.64 122.54 1nn5 n GLU 64 Ca -0.22 0.64 -0.01 0.00 0.00 0.00 0.00 57.16 57.56 1nn5 n GLU 64 Cb 0.53 -2.16 0.12 0.00 0.00 0.00 0.00 31.44 29.94 1nn5 n GLU 64 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1nn5 h ASP 65 N 2.67 1.13 -0.14 4.31 3.45 -2.00 -0.37 116.42 125.47 1nn5 h ASP 65 Ca -0.44 -0.03 -0.05 0.00 0.43 0.00 0.00 57.03 56.94 1nn5 h ASP 65 Cb 1.30 -0.28 -0.00 0.00 -0.56 0.00 0.00 39.33 39.79 1nn5 h ASP 65 CO 0.64 0.81 -0.12 0.45 -1.57 0.00 0.00 179.24 179.45 1nn5 h HIS 66 N 1.33 0.39 -0.49 4.55 3.86 -2.00 -2.31 115.15 120.49 1nn5 h HIS 66 Ca 0.37 -0.11 0.07 0.00 -1.16 0.00 0.00 60.37 59.54 1nn5 h HIS 66 Cb -0.13 -0.08 -0.06 0.00 1.06 0.00 0.00 27.41 28.20 1nn5 h HIS 66 CO -0.00 0.71 0.15 0.77 0.86 0.00 0.00 177.93 180.42 1nn5 h SER 67 N -0.04 0.12 -0.33 2.45 0.02 -1.80 -1.72 113.55 112.26 1nn5 h SER 67 Ca 0.02 0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 60.95 1nn5 h SER 67 Cb 0.64 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.23 1nn5 h SER 67 CO 0.03 0.10 -0.13 1.62 -1.14 0.00 0.00 176.83 177.31 1nn5 h VAL 68 N 0.31 1.26 -0.69 2.27 3.04 -1.10 -0.94 116.25 120.40 1nn5 h VAL 68 Ca 0.24 -1.19 0.07 0.00 -1.01 0.00 0.00 66.70 64.81 1nn5 h VAL 68 Cb 0.27 1.07 -0.06 0.00 -2.01 0.00 0.00 31.29 30.56 1nn5 h VAL 68 CO -0.26 0.40 0.38 -0.74 -1.01 0.00 0.00 177.57 176.33 1nn5 h HIS 69 N 0.69 0.68 -0.16 3.17 6.17 -1.01 -0.75 115.15 123.95 1nn5 h HIS 69 Ca 0.11 0.03 -0.13 0.00 0.71 0.00 0.00 60.37 61.09 1nn5 h HIS 69 Cb 0.61 -0.20 -0.01 0.00 2.52 0.00 0.00 27.41 30.32 1nn5 h HIS 69 CO 0.03 0.30 -0.46 -0.07 0.71 0.00 0.00 177.93 178.44 1nn5 h LEU 70 N 0.67 0.44 -0.61 0.26 3.38 -0.78 -2.24 115.31 116.43 1nn5 h LEU 70 Ca 0.32 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1nn5 h LEU 70 Cb 0.25 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1nn5 h LEU 70 CO -0.21 0.84 0.29 -0.07 0.09 0.00 0.00 178.44 179.37 1nn5 h LEU 71 N 0.33 0.81 -0.94 1.67 3.38 -0.70 0.22 115.31 120.08 1nn5 h LEU 71 Ca 0.02 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1nn5 h LEU 71 Cb 0.94 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 1nn5 h LEU 71 CO 0.08 0.72 0.59 -0.26 0.09 0.00 0.00 178.44 179.66 1nn5 h PHE 72 N 0.84 1.22 -0.20 1.13 -1.00 -0.77 0.05 116.94 118.22 1nn5 h PHE 72 Ca 0.21 0.01 -0.17 0.00 2.81 0.00 0.00 57.97 60.83 1nn5 h PHE 72 Cb 0.13 -0.41 0.00 0.00 3.61 0.00 0.00 35.95 39.29 1nn5 h PHE 72 CO 0.00 0.80 -0.55 1.03 -1.61 0.00 0.00 178.31 177.98 1nn5 h SER 73 N 1.29 0.83 -0.58 2.17 0.87 -1.05 -3.02 113.55 114.07 1nn5 h SER 73 Ca 0.34 -0.58 0.02 0.00 -1.23 0.00 0.00 61.79 60.34 1nn5 h SER 73 Cb -0.09 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.60 1nn5 h SER 73 CO -0.07 1.26 0.38 0.00 -0.53 0.00 0.00 176.83 177.87 1nn5 h ALA 74 N 0.59 1.65 0.00 6.23 0.00 -0.21 -0.23 119.26 127.29 1nn5 h ALA 74 Ca -0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1nn5 h ALA 74 Cb 1.17 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1nn5 h ALA 74 CO 0.12 0.31 -0.19 -0.97 0.00 0.00 0.00 179.25 178.51 1nn5 h ASN 75 N 0.72 0.00 -0.01 0.00 -0.73 -0.88 -0.80 115.58 113.88 1nn5 h ASN 75 Ca 0.22 0.00 -0.09 0.00 1.87 0.00 0.00 56.30 58.31 1nn5 h ASN 75 Cb 0.00 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.60 1nn5 h ASN 75 CO -0.05 0.19 -0.32 0.03 -0.37 0.00 0.00 177.43 176.90 1nn5 h ARG 76 N 0.00 0.25 -0.63 6.67 3.08 -0.96 -3.32 114.38 119.47 1nn5 h ARG 76 Ca -0.00 -0.24 0.02 0.00 0.07 0.00 0.00 59.98 59.83 1nn5 h ARG 76 Cb 0.34 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 1nn5 h ARG 76 CO 0.02 0.95 0.42 -1.49 -1.07 0.00 0.00 179.97 178.80 1nn5 h TRP 77 N -0.36 0.75 0.00 3.04 4.06 -0.92 -0.54 115.95 121.97 1nn5 h TRP 77 Ca -0.04 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.93 1nn5 h TRP 77 Cb 1.05 -0.25 -0.00 0.00 -1.00 0.00 0.00 29.16 28.96 1nn5 h TRP 77 CO 0.16 0.45 -0.02 1.05 -3.56 0.00 0.00 178.44 176.52 1nn5 h GLU 78 N 0.79 0.00 -0.02 0.49 4.11 -1.26 -1.17 114.58 117.52 1nn5 h GLU 78 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.67 1nn5 h GLU 78 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1nn5 h GLU 78 CO -0.06 0.02 -0.03 1.04 0.07 0.00 0.00 179.01 180.05 1nn5 n GLN 79 N -3.21 1.88 -0.18 1.06 1.13 -0.22 -4.49 117.38 113.35 1nn5 n GLN 79 Ca -0.02 -1.34 -0.08 0.00 -1.94 0.00 0.00 57.00 53.62 1nn5 n GLN 79 Cb 0.16 -1.47 0.01 0.00 0.11 0.00 0.00 30.24 29.06 1nn5 n GLN 79 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1nn5 h VAL 80 N 3.27 1.22 -0.97 5.09 2.07 -1.11 -0.29 116.25 125.53 1nn5 h VAL 80 Ca 0.00 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 66.81 1nn5 h VAL 80 Cb 0.71 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 1nn5 h VAL 80 CO 0.00 0.27 0.64 -0.65 0.02 0.00 0.00 177.57 177.85 1nn5 h PRO 81 N 0.71 1.29 -0.33 1.57 0.11 -1.79 0.34 132.00 133.91 1nn5 h PRO 81 Ca 0.17 -0.08 -0.04 0.00 0.11 0.00 0.00 66.00 66.16 1nn5 h PRO 81 Cb 0.23 -0.29 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 1nn5 h PRO 81 CO -0.01 0.86 0.04 1.25 -0.21 0.00 0.00 178.00 179.93 1nn5 h LEU 82 N 1.32 0.53 -0.26 2.35 5.85 -1.77 -0.76 115.31 122.56 1nn5 h LEU 82 Ca 0.35 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1nn5 h LEU 82 Cb -0.14 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 1nn5 h LEU 82 CO -0.08 0.67 0.15 0.40 -0.34 0.00 0.00 178.44 179.24 1nn5 h ILE 83 N 0.37 1.03 -0.46 4.05 2.04 -0.43 0.06 117.51 124.17 1nn5 h ILE 83 Ca 0.10 -0.11 -0.10 0.00 1.00 0.00 0.00 64.86 65.75 1nn5 h ILE 83 Cb 0.37 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1nn5 h ILE 83 CO 0.01 0.06 -0.11 0.11 0.00 0.00 0.00 178.15 178.22 1nn5 h LYS 84 N 0.31 0.84 -0.17 2.37 1.57 -0.81 -1.55 116.57 119.14 1nn5 h LYS 84 Ca 0.10 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 1nn5 h LYS 84 Cb 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1nn5 h LYS 84 CO -0.05 0.91 0.07 1.49 -0.57 0.00 0.00 179.45 181.29 1nn5 h GLU 85 N 0.76 0.25 -0.20 3.15 4.81 -0.80 -0.80 114.58 121.74 1nn5 h GLU 85 Ca 0.13 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1nn5 h GLU 85 Cb 0.61 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1nn5 h GLU 85 CO 0.04 0.33 0.09 0.87 -0.73 0.00 0.00 179.01 179.61 1nn5 h LYS 86 N 0.11 0.30 -0.97 1.92 1.79 -0.84 -1.60 116.57 117.28 1nn5 h LYS 86 Ca 0.06 -0.05 0.05 0.00 -2.18 0.00 0.00 60.65 58.53 1nn5 h LYS 86 Cb 0.18 -0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 30.71 1nn5 h LYS 86 CO -0.00 0.33 0.63 -0.07 -1.08 0.00 0.00 179.45 179.26 1nn5 h LEU 87 N 0.19 1.03 -1.45 2.94 3.38 -1.24 -0.91 115.31 119.26 1nn5 h LEU 87 Ca 0.07 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1nn5 h LEU 87 Cb 0.13 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1nn5 h LEU 87 CO -0.01 0.69 -0.28 0.77 0.09 0.00 0.00 178.44 179.70 1nn5 h SER 88 N 1.19 0.00 -0.03 -0.43 4.64 -0.51 -0.44 113.55 117.97 1nn5 h SER 88 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1nn5 h SER 88 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1nn5 h SER 88 CO -0.14 0.28 0.00 0.00 -0.87 0.00 0.00 176.83 176.10 1nn5 n GLN 89 N -4.10 1.34 -0.36 4.77 6.02 -0.66 -4.70 117.38 119.69 1nn5 n GLN 89 Ca -0.02 -0.50 0.00 0.00 -0.01 0.00 0.00 57.00 56.46 1nn5 n GLN 89 Cb 0.33 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.15 1nn5 n GLN 89 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nn5 n GLY 90 N 1.05 0.82 3.68 1.08 0.00 -0.55 -4.94 105.19 106.33 1nn5 n GLY 90 Ca 0.20 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1nn5 n GLY 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nn5 s VAL 91 N -2.00 5.08 0.06 1.61 1.01 -0.43 -4.11 120.40 121.62 1nn5 s VAL 91 Ca 0.00 1.13 -0.27 0.00 0.00 0.00 0.00 61.98 62.83 1nn5 s VAL 91 Cb 0.00 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 1nn5 s VAL 91 CO 0.00 0.19 0.86 -0.89 0.00 0.00 0.00 175.10 175.26 1nn5 s THR 92 N 1.44 4.66 -0.17 3.92 2.01 0.02 -3.72 115.64 123.80 1nn5 s THR 92 Ca 0.28 1.84 -0.03 0.00 0.31 0.00 0.00 61.69 64.09 1nn5 s THR 92 Cb -0.16 -4.21 -0.02 0.00 0.01 0.00 0.00 72.50 68.12 1nn5 s THR 92 CO 0.11 0.32 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.55 1nn5 s LEU 93 N 0.09 3.01 -0.26 4.42 1.43 -0.21 -0.82 118.68 126.32 1nn5 s LEU 93 Ca 0.43 -0.27 -0.07 0.00 -1.03 0.00 0.00 54.13 53.19 1nn5 s LEU 93 Cb -0.22 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 1nn5 s LEU 93 CO 0.26 0.10 0.08 -0.69 0.23 0.00 0.00 176.35 176.33 1nn5 s VAL 94 N 0.76 4.24 -0.19 -1.59 1.01 -0.20 -0.38 120.40 124.04 1nn5 s VAL 94 Ca -0.02 -0.32 -0.00 0.00 0.00 0.00 0.00 61.98 61.64 1nn5 s VAL 94 Cb -0.15 -3.04 0.01 0.00 0.00 0.00 0.00 36.38 33.20 1nn5 s VAL 94 CO 0.02 0.26 -0.16 -0.69 0.00 0.00 0.00 175.10 174.53 1nn5 s VAL 95 N 1.59 2.41 -0.76 2.92 1.01 0.40 -0.64 120.40 127.33 1nn5 s VAL 95 Ca 0.05 -0.83 -0.22 0.00 0.00 0.00 0.00 61.98 60.99 1nn5 s VAL 95 Cb -0.16 -2.04 0.09 0.00 0.00 0.00 0.00 36.38 34.26 1nn5 s VAL 95 CO 0.03 0.50 1.05 -0.62 0.00 0.00 0.00 175.10 176.06 1nn5 s ASP 96 N 1.34 6.32 0.06 3.32 2.15 -0.33 -0.61 116.67 128.92 1nn5 s ASP 96 Ca 0.05 -1.30 0.00 0.00 0.43 0.00 0.00 52.55 51.73 1nn5 s ASP 96 Cb -0.13 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 1nn5 s ASP 96 CO -0.10 -1.35 0.00 0.54 -0.17 0.00 0.00 175.17 174.09 1nn5 n ARG 97 N 7.49 -0.44 0.00 4.34 1.74 -0.36 -1.36 116.66 128.07 1nn5 n ARG 97 Ca 0.06 0.33 0.00 0.00 -0.77 0.00 0.00 57.85 57.47 1nn5 n ARG 97 Cb 0.47 -0.39 0.00 0.00 -1.02 0.00 0.00 32.46 31.52 1nn5 n ARG 97 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1nn5 n TYR 98 N -1.26 0.00 0.26 -1.55 9.36 -1.26 -3.72 117.16 118.99 1nn5 n TYR 98 Ca 0.00 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.33 1nn5 n TYR 98 Cb 0.02 0.00 0.70 0.00 -0.63 0.00 0.00 39.34 39.43 1nn5 n TYR 98 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1nn5 h ALA 99 N 1.47 1.55 -0.51 2.98 0.00 -1.99 -2.65 119.26 120.11 1nn5 h ALA 99 Ca 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1nn5 h ALA 99 Cb 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1nn5 h ALA 99 CO 0.00 0.12 0.09 0.74 0.00 0.00 0.00 179.25 180.19 1nn5 h PHE 100 N 0.00 0.89 -0.82 0.00 -1.00 -1.99 -0.38 116.94 113.64 1nn5 h PHE 100 Ca -0.00 -0.12 -0.04 0.00 2.81 0.00 0.00 57.97 60.62 1nn5 h PHE 100 Cb 0.20 -0.25 -0.04 0.00 3.61 0.00 0.00 35.95 39.48 1nn5 h PHE 100 CO 0.00 0.81 0.37 0.77 -1.61 0.00 0.00 178.31 178.64 1nn5 h SER 101 N 0.72 1.10 -0.23 2.17 0.02 -1.87 0.11 113.55 115.56 1nn5 h SER 101 Ca 0.16 -0.15 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 1nn5 h SER 101 Cb 0.39 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.60 1nn5 h SER 101 CO 0.01 0.94 -0.05 1.23 -1.14 0.00 0.00 176.83 177.82 1nn5 h GLY 102 N 1.19 0.17 0.89 -3.77 0.00 -1.16 -0.96 103.07 99.43 1nn5 h GLY 102 Ca 0.28 0.07 -0.10 0.00 0.00 0.00 0.00 47.33 47.58 1nn5 h GLY 102 CO -0.03 -0.08 -0.22 -2.08 0.00 0.00 0.00 176.54 174.12 1nn5 h VAL 103 N 0.01 1.31 -0.64 4.60 2.07 -0.78 -2.92 116.25 119.91 1nn5 h VAL 103 Ca 0.11 -1.38 -0.06 0.00 0.82 0.00 0.00 66.70 66.19 1nn5 h VAL 103 Cb 0.17 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1nn5 h VAL 103 CO -0.23 0.43 0.16 0.00 0.02 0.00 0.00 177.57 177.95 1nn5 h ALA 104 N 0.68 0.85 -0.02 1.67 0.00 -0.60 0.13 119.26 121.97 1nn5 h ALA 104 Ca 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1nn5 h ALA 104 Cb 0.77 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1nn5 h ALA 104 CO 0.06 0.56 -0.03 0.74 0.00 0.00 0.00 179.25 180.57 1nn5 h PHE 105 N 0.95 0.06 -0.24 0.00 -1.00 -1.26 -2.23 116.94 113.22 1nn5 h PHE 105 Ca 0.20 -0.02 -0.11 0.00 2.81 0.00 0.00 57.97 60.85 1nn5 h PHE 105 Cb 0.35 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.89 1nn5 h PHE 105 CO 0.03 0.59 -0.31 1.15 -1.61 0.00 0.00 178.31 178.15 1nn5 h THR 106 N -0.48 1.28 0.00 -1.55 2.02 -1.53 -2.80 112.91 109.85 1nn5 h THR 106 Ca 0.00 -1.39 -0.01 0.00 0.77 0.00 0.00 66.41 65.78 1nn5 h THR 106 Cb 0.59 1.44 -0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1nn5 h THR 106 CO 0.01 0.44 -0.04 1.23 0.37 0.00 0.00 175.52 177.52 1nn5 h GLY 107 N 1.05 0.00 2.00 2.16 0.00 -0.76 -0.55 103.07 106.98 1nn5 h GLY 107 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1nn5 h GLY 107 CO 0.06 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.60 1nn5 h ALA 108 N 1.96 1.00 -2.33 3.60 0.00 -1.11 -3.45 119.26 118.93 1nn5 h ALA 108 Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 1nn5 h ALA 108 Cb 0.25 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.10 1nn5 h ALA 108 CO 0.01 0.00 0.40 0.15 0.00 0.00 0.00 179.25 179.81 1nn5 s LYS 109 N -3.21 3.55 0.41 0.00 1.02 -0.22 -4.88 119.74 116.42 1nn5 s LYS 109 Ca 0.08 0.83 -0.25 0.00 0.02 0.00 0.00 55.97 56.64 1nn5 s LYS 109 Cb 0.10 -2.07 -0.08 0.00 -0.52 0.00 0.00 37.83 35.26 1nn5 s LYS 109 CO 0.55 -0.61 1.22 -1.83 -0.92 0.00 0.00 175.35 173.76 1nn5 s GLU 110 N -4.95 3.97 -1.34 1.68 4.04 -1.26 -3.59 118.70 117.25 1nn5 s GLU 110 Ca 0.56 1.95 -0.03 0.00 0.04 0.00 0.00 54.97 57.49 1nn5 s GLU 110 Cb -0.11 -2.66 0.00 0.00 0.02 0.00 0.00 34.13 31.37 1nn5 s GLU 110 CO 0.50 -0.43 0.38 0.09 -1.84 0.00 0.00 175.26 173.96 1nn5 n ASN 111 N 0.00 -5.29 -4.00 0.83 3.02 -1.26 -5.00 115.26 103.57 1nn5 n ASN 111 Ca 0.05 -0.18 -0.31 0.00 -0.03 0.00 0.00 54.58 54.10 1nn5 n ASN 111 Cb 0.46 -4.19 -0.15 0.00 -0.61 0.00 0.00 39.78 35.29 1nn5 n ASN 111 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1nn5 s PHE 112 N -3.02 3.09 0.53 3.10 0.40 -1.24 -5.12 117.98 115.72 1nn5 s PHE 112 Ca 0.19 -2.34 -0.18 0.00 -0.60 0.00 0.00 56.93 53.99 1nn5 s PHE 112 Cb -0.08 -2.12 -0.06 0.00 0.51 0.00 0.00 43.02 41.26 1nn5 s PHE 112 CO 0.23 -0.87 1.05 -1.54 0.70 0.00 0.00 175.22 174.79 1nn5 s SER 113 N 1.15 6.08 0.30 1.36 1.04 -1.26 -4.68 113.70 117.69 1nn5 s SER 113 Ca -0.01 1.91 -0.02 0.00 0.48 0.00 0.00 55.95 58.31 1nn5 s SER 113 Cb -0.19 -2.55 0.45 0.00 0.10 0.00 0.00 66.02 63.82 1nn5 s SER 113 CO -0.08 -0.96 1.97 -0.07 0.98 0.00 0.00 173.24 175.08 1nn5 h LEU 114 N 1.11 0.94 0.21 2.42 3.38 -1.95 -2.03 115.31 119.40 1nn5 h LEU 114 Ca -0.49 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1nn5 h LEU 114 Cb 1.22 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 1nn5 h LEU 114 CO 0.58 0.68 -0.20 -0.78 0.09 0.00 0.00 178.44 178.82 1nn5 h ASP 115 N 1.11 -0.52 -0.96 -0.43 1.82 -2.00 -0.40 116.42 115.05 1nn5 h ASP 115 Ca 0.30 0.05 0.03 0.00 -0.39 0.00 0.00 57.03 57.02 1nn5 h ASP 115 Cb -0.13 0.18 -0.06 0.00 0.68 0.00 0.00 39.33 40.01 1nn5 h ASP 115 CO -0.06 -0.29 0.62 -0.25 -1.61 0.00 0.00 179.24 177.65 1nn5 h TRP 116 N -0.43 1.17 -0.41 0.28 7.01 -1.89 -2.45 115.95 119.23 1nn5 h TRP 116 Ca -0.00 0.03 -0.07 0.00 2.11 0.00 0.00 58.89 60.95 1nn5 h TRP 116 Cb 0.40 -0.39 -0.02 0.00 -2.10 0.00 0.00 29.16 27.05 1nn5 h TRP 116 CO -0.14 0.68 -0.05 0.00 -2.79 0.00 0.00 178.44 176.13 1nn5 h LYS 118 N 0.64 0.48 -0.64 0.00 1.57 -0.60 -3.39 116.57 114.64 1nn5 h LYS 118 Ca 0.12 -0.24 0.12 0.00 -1.87 0.00 0.00 60.65 58.78 1nn5 h LYS 118 Cb 0.48 -0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.70 1nn5 h LYS 118 CO 0.02 0.80 0.18 1.96 -0.57 0.00 0.00 179.45 181.84 1nn5 h GLN 119 N 0.40 0.30 -0.32 3.15 1.08 -1.34 -1.77 115.11 116.61 1nn5 h GLN 119 Ca 0.04 -0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.28 1nn5 h GLN 119 Cb 0.87 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.21 1nn5 h GLN 119 CO 0.07 0.20 0.22 -1.35 -0.95 0.00 0.00 178.83 177.03 1nn5 h PRO 120 N 0.31 0.18 -0.01 1.46 0.11 -1.77 -1.24 132.00 131.04 1nn5 h PRO 120 Ca 0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.44 1nn5 h PRO 120 Cb 0.50 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.57 1nn5 h PRO 120 CO -0.40 0.12 -0.14 -0.25 -0.21 0.00 0.00 178.00 177.12 1nn5 n ASP 121 N -4.48 1.33 -4.71 -2.05 8.00 -0.69 -4.89 116.55 109.06 1nn5 n ASP 121 Ca 0.04 -1.22 -0.42 0.00 0.71 0.00 0.00 54.79 53.90 1nn5 n ASP 121 Cb 0.26 0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.41 1nn5 n ASP 121 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1nn5 n VAL 122 N -0.20 0.08 0.00 2.53 0.31 -0.47 -1.85 118.33 118.74 1nn5 n VAL 122 Ca 0.15 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 1nn5 n VAL 122 Cb 0.36 -2.03 0.00 0.00 -0.91 0.00 0.00 33.84 31.26 1nn5 n VAL 122 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nn5 n GLY 123 N 4.05 1.74 3.63 2.92 0.00 0.27 -4.96 105.19 112.83 1nn5 n GLY 123 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1nn5 n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nn5 s LEU 124 N 0.00 2.27 0.07 0.99 1.43 -0.77 -4.42 118.68 118.25 1nn5 s LEU 124 Ca 0.00 1.98 -0.36 0.00 -1.03 0.00 0.00 54.13 54.72 1nn5 s LEU 124 Cb 0.00 -4.23 -0.15 0.00 0.03 0.00 0.00 46.19 41.84 1nn5 s LEU 124 CO 0.00 -3.38 1.52 -2.65 0.23 0.00 0.00 176.35 172.07 1nn5 n PRO 125 N -4.40 1.62 -2.84 1.29 -0.02 -1.26 0.07 135.00 129.46 1nn5 n PRO 125 Ca 0.09 0.59 -0.42 0.00 -2.02 0.00 0.00 63.50 61.74 1nn5 n PRO 125 Cb 0.53 -2.30 -0.04 0.00 -0.02 0.00 0.00 33.50 31.67 1nn5 n PRO 125 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1nn5 s LYS 126 N 1.25 4.33 0.47 -0.52 2.20 -0.35 -4.55 119.74 122.57 1nn5 s LYS 126 Ca 0.84 1.12 -0.24 0.00 -0.36 0.00 0.00 55.97 57.33 1nn5 s LYS 126 Cb -0.84 -3.57 -0.08 0.00 -1.51 0.00 0.00 37.83 31.84 1nn5 s LYS 126 CO 0.46 -0.33 1.32 -2.30 -0.36 0.00 0.00 175.35 174.14 1nn5 n PRO 127 N 5.19 1.88 0.20 4.03 -0.02 -1.26 -4.44 135.00 140.58 1nn5 n PRO 127 Ca 0.06 0.68 0.12 0.00 -2.02 0.00 0.00 63.50 62.33 1nn5 n PRO 127 Cb 0.49 -2.49 0.14 0.00 -0.02 0.00 0.00 33.50 31.62 1nn5 n PRO 127 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1nn5 h ASP 128 N 1.86 0.00 -3.08 2.55 3.32 -0.97 -3.44 116.42 116.67 1nn5 h ASP 128 Ca -0.49 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.45 1nn5 h ASP 128 Cb 1.29 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.58 1nn5 h ASP 128 CO 0.59 0.00 -0.29 -0.22 -1.72 0.00 0.00 179.24 177.60 1nn5 s LEU 129 N -6.03 -0.25 -0.27 1.55 2.96 -1.16 -4.66 118.68 110.83 1nn5 s LEU 129 Ca 0.06 0.95 0.02 0.00 -0.22 0.00 0.00 54.13 54.94 1nn5 s LEU 129 Cb 0.06 1.41 0.06 0.00 0.50 0.00 0.00 46.19 48.22 1nn5 s LEU 129 CO 0.69 -0.20 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.74 1nn5 s VAL 130 N 1.64 2.33 -0.10 1.68 1.01 -0.19 -1.20 120.40 125.56 1nn5 s VAL 130 Ca -0.08 -1.60 -0.20 0.00 0.00 0.00 0.00 61.98 60.10 1nn5 s VAL 130 Cb -0.09 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1nn5 s VAL 130 CO -0.13 -0.05 0.56 -0.76 0.00 0.00 0.00 175.10 174.72 1nn5 s LEU 131 N 1.13 4.29 -0.29 3.92 1.43 0.39 -0.99 118.68 128.55 1nn5 s LEU 131 Ca -0.08 0.94 -0.05 0.00 -1.03 0.00 0.00 54.13 53.91 1nn5 s LEU 131 Cb -0.20 -2.83 0.02 0.00 0.03 0.00 0.00 46.19 43.21 1nn5 s LEU 131 CO -0.04 -0.05 0.04 0.12 0.23 0.00 0.00 176.35 176.65 1nn5 s PHE 132 N 0.73 3.15 -0.64 0.29 5.36 -0.24 -0.60 117.98 126.03 1nn5 s PHE 132 Ca 0.30 -1.24 -0.24 0.00 -0.96 0.00 0.00 56.93 54.79 1nn5 s PHE 132 Cb -0.16 -2.20 0.06 0.00 -0.34 0.00 0.00 43.02 40.38 1nn5 s PHE 132 CO 0.13 -0.65 1.00 -0.51 -1.46 0.00 0.00 175.22 173.73 1nn5 s LEU 133 N 1.43 4.14 0.06 6.12 1.02 -0.04 -0.72 118.68 130.68 1nn5 s LEU 133 Ca 0.01 -0.73 -0.25 0.00 0.02 0.00 0.00 54.13 53.18 1nn5 s LEU 133 Cb -0.17 -2.56 -0.06 0.00 0.02 0.00 0.00 46.19 43.42 1nn5 s LEU 133 CO 0.00 -1.43 0.77 -1.10 0.02 0.00 0.00 176.35 174.61 1nn5 s GLN 134 N 4.25 4.50 -0.23 1.70 -0.21 0.28 -4.32 119.66 125.63 1nn5 s GLN 134 Ca 0.26 1.08 -0.17 0.00 0.02 0.00 0.00 55.36 56.54 1nn5 s GLN 134 Cb -0.14 -3.35 0.07 0.00 1.00 0.00 0.00 33.01 30.58 1nn5 s GLN 134 CO 0.13 0.33 0.60 -1.17 -2.12 0.00 0.00 175.29 173.06 1nn5 s LEU 135 N -0.22 -0.48 0.42 2.90 2.96 -1.26 -0.86 118.68 122.13 1nn5 s LEU 135 Ca 0.38 1.26 -0.24 0.00 -0.22 0.00 0.00 54.13 55.30 1nn5 s LEU 135 Cb -0.21 2.05 -0.10 0.00 0.50 0.00 0.00 46.19 48.43 1nn5 s LEU 135 CO 0.23 -0.22 1.05 0.00 -1.32 0.00 0.00 176.35 176.09 1nn5 n GLN 136 N 3.53 1.43 -0.25 1.98 1.13 -1.26 -4.80 117.38 119.14 1nn5 n GLN 136 Ca -0.17 0.51 0.07 0.00 -1.94 0.00 0.00 57.00 55.46 1nn5 n GLN 136 Cb 0.57 -2.09 0.31 0.00 0.11 0.00 0.00 30.24 29.15 1nn5 n GLN 136 CO 0.00 0.00 0.00 1.37 -1.44 0.00 0.00 177.06 176.99 1nn5 h LEU 137 N 1.62 0.76 -0.93 1.08 -0.00 -1.99 -1.76 115.31 114.08 1nn5 h LEU 137 Ca -0.45 0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 57.43 1nn5 h LEU 137 Cb 1.33 -0.15 -0.04 0.00 -0.00 0.00 0.00 40.66 41.80 1nn5 h LEU 137 CO 0.57 0.46 0.48 0.00 -0.00 0.00 0.00 178.44 179.96 1nn5 h ALA 138 N 1.57 1.18 -0.27 0.17 0.00 -2.00 -2.49 119.26 117.41 1nn5 h ALA 138 Ca 0.38 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 1nn5 h ALA 138 Cb 0.35 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1nn5 h ALA 138 CO -0.15 0.66 -0.46 -0.44 0.00 0.00 0.00 179.25 178.86 1nn5 h ASP 139 N 1.24 0.87 -0.89 0.00 3.45 -1.70 -2.77 116.42 116.62 1nn5 h ASP 139 Ca 0.31 -0.53 0.23 0.00 0.43 0.00 0.00 57.03 57.47 1nn5 h ASP 139 Cb 0.03 -0.25 -0.05 0.00 -0.56 0.00 0.00 39.33 38.50 1nn5 h ASP 139 CO -0.05 1.23 0.61 0.00 -1.57 0.00 0.00 179.24 179.46 1nn5 h ALA 140 N 0.66 2.48 0.00 3.45 0.00 -1.07 0.78 119.26 125.56 1nn5 h ALA 140 Ca 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1nn5 h ALA 140 Cb 1.06 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1nn5 h ALA 140 CO 0.10 -0.75 -0.01 0.00 0.00 0.00 0.00 179.25 178.59 1nn5 h ALA 141 N 1.59 1.00 0.00 0.00 0.00 -1.16 -2.97 119.26 117.72 1nn5 h ALA 141 Ca 0.45 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.25 1nn5 h ALA 141 Cb 1.40 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1nn5 h ALA 141 CO -0.11 0.01 -0.48 -0.22 0.00 0.00 0.00 179.25 178.45 1nn5 h LYS 142 N 0.00 0.00 0.00 0.00 3.64 0.63 -3.52 116.57 117.32 1nn5 h LYS 142 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1nn5 h LYS 142 Cb 0.75 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1nn5 h LYS 142 CO 0.00 0.48 0.00 0.54 -2.27 0.00 0.00 179.45 178.21 1nn5 n ARG 143 N -3.50 0.00 0.00 1.90 1.74 -1.12 -5.14 116.66 110.53 1nn5 n ARG 143 Ca 0.00 0.26 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 1nn5 n ARG 143 Cb 0.60 -0.83 0.00 0.00 -1.02 0.00 0.00 32.46 31.21 1nn5 n ARG 143 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1nn5 n GLU 149 N -1.27 0.00 -1.64 5.56 1.02 -1.26 -5.04 120.64 118.01 1nn5 n GLU 149 Ca 0.00 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.78 1nn5 n GLU 149 Cb 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 31.50 1nn5 n GLU 149 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1nn5 s ARG 150 N -0.83 2.40 0.00 3.49 3.52 0.45 -2.77 118.95 125.22 1nn5 s ARG 150 Ca 0.00 1.95 0.00 0.00 -0.13 0.00 0.00 55.73 57.55 1nn5 s ARG 150 Cb 0.00 -1.84 0.00 0.00 -1.56 0.00 0.00 34.95 31.55 1nn5 s ARG 150 CO 0.00 -1.68 0.00 0.66 -0.81 0.00 0.00 175.30 173.47 1nn5 n TYR 151 N -2.19 0.00 -2.48 5.12 0.53 -1.26 -4.92 117.16 111.96 1nn5 n TYR 151 Ca 0.15 0.00 -0.43 0.00 -1.02 0.00 0.00 57.90 56.60 1nn5 n TYR 151 Cb 0.49 -0.32 0.01 0.00 -1.03 0.00 0.00 39.34 38.49 1nn5 n TYR 151 CO 0.00 0.00 0.00 0.39 -1.02 0.00 0.00 176.86 176.23 1nn5 n GLU 152 N -2.00 3.76 -3.72 -0.72 1.02 -1.11 -4.46 120.64 113.41 1nn5 n GLU 152 Ca 0.00 -3.72 -0.14 0.00 -0.02 0.00 0.00 57.16 53.28 1nn5 n GLU 152 Cb 0.00 -2.86 -0.09 0.00 -0.02 0.00 0.00 31.44 28.48 1nn5 n GLU 152 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1nn5 s ASN 153 N 0.50 -0.33 0.20 1.62 2.20 -1.26 -4.92 114.94 112.95 1nn5 s ASN 153 Ca 0.38 0.40 -0.10 0.00 -0.94 0.00 0.00 52.86 52.60 1nn5 s ASN 153 Cb 0.08 0.50 0.25 0.00 -2.00 0.00 0.00 41.25 40.09 1nn5 s ASN 153 CO 0.02 -0.38 1.76 1.23 -2.94 0.00 0.00 177.10 176.80 1nn5 h GLY 154 N 4.24 0.86 1.10 0.45 0.00 -1.99 -1.69 103.07 106.03 1nn5 h GLY 154 Ca -0.28 -0.16 -0.06 0.00 0.00 0.00 0.00 47.33 46.83 1nn5 h GLY 154 CO 0.35 0.03 0.19 0.00 0.00 0.00 0.00 176.54 177.12 1nn5 h ALA 155 N 1.38 0.99 -0.30 3.60 0.00 -1.98 -1.59 119.26 121.37 1nn5 h ALA 155 Ca 0.29 -0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 1nn5 h ALA 155 Cb 0.31 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1nn5 h ALA 155 CO -0.26 0.66 -0.51 0.35 0.00 0.00 0.00 179.25 179.49 1nn5 h PHE 156 N 1.07 1.09 -0.70 0.00 3.57 -1.84 -2.79 116.94 117.34 1nn5 h PHE 156 Ca 0.23 -0.38 -0.00 0.00 3.53 0.00 0.00 57.97 61.34 1nn5 h PHE 156 Cb 0.34 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 1nn5 h PHE 156 CO 0.03 1.21 0.42 1.96 -2.23 0.00 0.00 178.31 179.69 1nn5 h GLN 157 N 0.66 0.94 -0.76 1.11 1.08 -1.09 -0.39 115.11 116.67 1nn5 h GLN 157 Ca 0.02 -0.08 -0.06 0.00 -1.45 0.00 0.00 58.65 57.08 1nn5 h GLN 157 Cb 1.12 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 28.31 1nn5 h GLN 157 CO 0.12 0.67 0.26 1.49 -0.95 0.00 0.00 178.83 180.41 1nn5 h GLU 158 N 0.96 1.17 -0.38 1.46 4.22 -1.18 0.15 114.58 120.97 1nn5 h GLU 158 Ca 0.25 -0.24 -0.13 0.00 0.08 0.00 0.00 59.36 59.33 1nn5 h GLU 158 Cb -0.03 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 1nn5 h GLU 158 CO -0.05 0.98 -0.26 0.00 -2.18 0.00 0.00 179.01 177.50 1nn5 h ARG 159 N 1.13 0.80 -0.60 1.92 3.08 -1.05 -1.56 114.38 118.09 1nn5 h ARG 159 Ca 0.25 -0.35 -0.08 0.00 0.07 0.00 0.00 59.98 59.88 1nn5 h ARG 159 Cb 0.28 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1nn5 h ARG 159 CO -0.01 0.97 0.08 0.00 -1.07 0.00 0.00 179.97 179.94 1nn5 h ALA 160 N 1.01 0.80 -0.80 0.04 0.00 -0.68 -2.26 119.26 117.37 1nn5 h ALA 160 Ca 0.09 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.76 1nn5 h ALA 160 Cb 0.79 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1nn5 h ALA 160 CO 0.07 0.58 0.51 1.25 0.00 0.00 0.00 179.25 181.65 1nn5 h LEU 161 N 0.92 0.83 -1.12 0.00 5.85 -0.44 0.05 115.31 121.40 1nn5 h LEU 161 Ca 0.18 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.94 1nn5 h LEU 161 Cb 0.45 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 1nn5 h LEU 161 CO 0.02 0.57 0.60 0.03 -0.34 0.00 0.00 178.44 179.31 1nn5 h ARG 162 N 0.98 1.10 -0.46 1.25 2.47 -0.90 -1.47 114.38 117.35 1nn5 h ARG 162 Ca 0.32 -0.07 -0.05 0.00 -1.26 0.00 0.00 59.98 58.92 1nn5 h ARG 162 Cb 0.03 -0.25 -0.02 0.00 -1.65 0.00 0.00 29.97 28.09 1nn5 h ARG 162 CO -0.12 0.73 0.08 0.00 0.56 0.00 0.00 179.97 181.22 1nn5 h PHE 164 N 0.63 0.50 -0.23 0.00 -1.00 -0.31 -1.27 116.94 115.27 1nn5 h PHE 164 Ca 0.14 0.03 -0.03 0.00 2.81 0.00 0.00 57.97 60.92 1nn5 h PHE 164 Cb 0.38 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.80 1nn5 h PHE 164 CO 0.03 0.18 0.02 0.45 -1.61 0.00 0.00 178.31 177.37 1nn5 h HIS 165 N 0.50 0.33 -0.58 -0.55 3.86 -1.00 -1.51 115.15 116.21 1nn5 h HIS 165 Ca 0.30 -0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.39 1nn5 h HIS 165 Cb 0.31 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 1nn5 h HIS 165 CO -0.13 0.33 -0.04 1.96 0.86 0.00 0.00 177.93 180.91 1nn5 h GLN 166 N 0.33 1.04 0.00 2.45 1.08 -0.46 -2.87 115.11 116.68 1nn5 h GLN 166 Ca 0.08 -0.35 -0.04 0.00 -1.45 0.00 0.00 58.65 56.89 1nn5 h GLN 166 Cb 0.20 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 1nn5 h GLN 166 CO 0.00 1.04 -0.18 -0.07 -0.95 0.00 0.00 178.83 178.67 1nn5 h LEU 167 N 0.94 0.00 -0.23 1.46 3.38 -0.36 -2.45 115.31 118.06 1nn5 h LEU 167 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1nn5 h LEU 167 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1nn5 h LEU 167 CO 0.04 0.18 0.00 0.23 0.09 0.00 0.00 178.44 178.98 1nn5 n MET 168 N -3.66 0.14 0.05 1.13 2.81 -0.67 -2.22 117.12 114.69 1nn5 n MET 168 Ca -0.01 0.25 0.11 0.00 -1.81 0.00 0.00 57.70 56.24 1nn5 n MET 168 Cb 0.31 -1.70 0.45 0.00 -0.71 0.00 0.00 33.22 31.56 1nn5 n MET 168 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1nn5 n LYS 169 N -1.95 0.09 -2.30 0.03 5.02 -0.92 -4.65 118.16 113.47 1nn5 n LYS 169 Ca 0.04 0.22 -0.40 0.00 -2.02 0.00 0.00 58.31 56.15 1nn5 n LYS 169 Cb 0.29 -1.64 -0.03 0.00 -0.02 0.00 0.00 35.03 33.64 1nn5 n LYS 169 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1nn5 s ASP 170 N -3.54 5.83 0.00 4.39 -1.08 -0.94 -4.85 116.67 116.47 1nn5 s ASP 170 Ca 0.09 0.11 0.16 0.00 -0.52 0.00 0.00 52.55 52.38 1nn5 s ASP 170 Cb 0.12 -2.54 0.68 0.00 -1.46 0.00 0.00 42.92 39.72 1nn5 s ASP 170 CO 0.42 -1.99 1.49 0.35 0.52 0.00 0.00 175.17 175.96 1nn5 n THR 171 N 6.85 0.89 0.66 1.71 -2.24 -1.26 -2.28 114.28 118.62 1nn5 n THR 171 Ca 0.13 0.22 0.10 0.00 -2.27 0.00 0.00 64.05 62.23 1nn5 n THR 171 Cb 0.50 -0.96 0.43 0.00 -2.10 0.00 0.00 70.33 68.20 1nn5 n THR 171 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1nn5 n THR 172 N -1.48 0.64 -4.36 4.28 -2.24 -1.26 -4.77 114.28 105.10 1nn5 n THR 172 Ca 0.04 0.14 -0.31 0.00 -2.27 0.00 0.00 64.05 61.66 1nn5 n THR 172 Cb 0.18 -0.83 -0.10 0.00 -2.10 0.00 0.00 70.33 67.47 1nn5 n THR 172 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1nn5 s LEU 173 N -3.17 3.09 -1.27 3.22 1.43 -0.96 -5.04 118.68 115.97 1nn5 s LEU 173 Ca 0.09 -0.27 -0.12 0.00 -1.03 0.00 0.00 54.13 52.80 1nn5 s LEU 173 Cb 0.13 -1.83 0.15 0.00 0.03 0.00 0.00 46.19 44.67 1nn5 s LEU 173 CO 0.37 0.23 1.72 -3.20 0.23 0.00 0.00 176.35 175.70 1nn5 n ASN 174 N 1.12 5.04 -4.74 2.29 5.15 -1.26 -4.98 115.26 117.88 1nn5 n ASN 174 Ca -0.14 -3.02 -0.41 0.00 -0.60 0.00 0.00 54.58 50.41 1nn5 n ASN 174 Cb 0.52 -1.55 -0.05 0.00 -0.53 0.00 0.00 39.78 38.18 1nn5 n ASN 174 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1nn5 s TRP 175 N 1.36 3.74 -0.09 1.20 0.52 -1.26 -1.02 118.94 123.38 1nn5 s TRP 175 Ca 0.43 1.73 0.00 0.00 0.02 0.00 0.00 56.10 58.28 1nn5 s TRP 175 Cb 0.05 -3.15 0.02 0.00 -1.15 0.00 0.00 33.47 29.24 1nn5 s TRP 175 CO 0.00 -0.13 -0.08 0.15 0.02 0.00 0.00 176.95 176.91 1nn5 s LYS 176 N -0.49 1.50 0.21 4.98 -0.14 -0.16 -4.94 119.74 120.70 1nn5 s LYS 176 Ca 0.47 -0.28 -0.30 0.00 -1.36 0.00 0.00 55.97 54.50 1nn5 s LYS 176 Cb -0.27 -1.46 -0.08 0.00 -1.68 0.00 0.00 37.83 34.33 1nn5 s LYS 176 CO 0.33 -0.17 0.94 -1.64 -0.76 0.00 0.00 175.35 174.05 1nn5 s MET 177 N 1.36 4.81 -0.08 1.68 -1.94 -1.26 -1.08 119.30 122.79 1nn5 s MET 177 Ca -0.02 1.47 0.04 0.00 -1.71 0.00 0.00 55.69 55.47 1nn5 s MET 177 Cb -0.14 -3.30 0.00 0.00 2.01 0.00 0.00 34.83 33.40 1nn5 s MET 177 CO -0.04 0.44 -0.20 0.08 -0.01 0.00 0.00 175.02 175.30 1nn5 s VAL 178 N -0.89 1.72 -0.85 -6.03 1.01 0.10 -4.89 120.40 110.57 1nn5 s VAL 178 Ca 0.42 -0.83 -0.25 0.00 0.00 0.00 0.00 61.98 61.32 1nn5 s VAL 178 Cb -0.25 -1.50 0.03 0.00 0.00 0.00 0.00 36.38 34.65 1nn5 s VAL 178 CO 0.31 0.48 1.43 -0.62 0.00 0.00 0.00 175.10 176.71 1nn5 s ASP 179 N 0.40 6.17 0.00 3.32 2.15 -1.26 -0.56 116.67 126.89 1nn5 s ASP 179 Ca -0.16 -0.81 0.21 0.00 0.43 0.00 0.00 52.55 52.22 1nn5 s ASP 179 Cb -0.17 -2.56 1.26 0.00 -0.30 0.00 0.00 42.92 41.15 1nn5 s ASP 179 CO 0.07 -1.80 1.80 0.00 -0.17 0.00 0.00 175.17 175.06 1nn5 n ALA 180 N 9.71 2.60 0.86 3.66 0.00 -0.04 -3.57 120.51 133.73 1nn5 n ALA 180 Ca 0.19 -0.13 0.14 0.00 0.00 0.00 0.00 53.44 53.63 1nn5 n ALA 180 Cb 0.50 -1.34 0.51 0.00 0.00 0.00 0.00 19.45 19.12 1nn5 n ALA 180 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nn5 n SER 181 N -0.84 0.33 -3.91 0.00 3.41 -1.25 -4.86 113.62 106.51 1nn5 n SER 181 Ca 0.16 0.48 -0.30 0.00 -0.26 0.00 0.00 58.87 58.95 1nn5 n SER 181 Cb 0.07 -0.55 0.22 0.00 -0.26 0.00 0.00 64.21 63.69 1nn5 n SER 181 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1nn5 s LYS 182 N -3.04 -0.47 0.91 4.33 1.02 -1.23 -5.01 119.74 116.25 1nn5 s LYS 182 Ca 0.12 -0.25 -0.11 0.00 0.02 0.00 0.00 55.97 55.75 1nn5 s LYS 182 Cb 0.16 -1.70 0.14 0.00 -0.52 0.00 0.00 37.83 35.91 1nn5 s LYS 182 CO 0.57 -3.18 1.10 -1.54 -0.92 0.00 0.00 175.35 171.38 1nn5 s SER 183 N -4.36 3.11 0.22 2.83 1.04 -1.26 -4.72 113.70 110.56 1nn5 s SER 183 Ca 0.73 1.86 -0.07 0.00 0.48 0.00 0.00 55.95 58.95 1nn5 s SER 183 Cb -0.07 -2.44 0.32 0.00 0.10 0.00 0.00 66.02 63.94 1nn5 s SER 183 CO 0.55 -2.92 1.78 0.40 0.98 0.00 0.00 173.24 174.02 1nn5 h ILE 184 N -1.75 0.86 -0.46 -1.02 2.04 -1.94 -0.43 117.51 114.81 1nn5 h ILE 184 Ca -0.47 -0.21 -0.14 0.00 1.00 0.00 0.00 64.86 65.04 1nn5 h ILE 184 Cb 1.27 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1nn5 h ILE 184 CO 0.48 0.11 -0.26 -0.33 0.00 0.00 0.00 178.15 178.15 1nn5 h GLU 185 N 0.60 0.99 -0.40 2.37 4.39 -1.99 -1.12 114.58 119.43 1nn5 h GLU 185 Ca 0.34 -0.44 -0.08 0.00 0.34 0.00 0.00 59.36 59.52 1nn5 h GLU 185 Cb 0.34 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1nn5 h GLU 185 CO -0.26 1.12 -0.05 0.00 -1.16 0.00 0.00 179.01 178.66 1nn5 h ALA 186 N 0.85 0.54 -0.67 3.43 0.00 -1.79 -1.19 119.26 120.44 1nn5 h ALA 186 Ca 0.10 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1nn5 h ALA 186 Cb 0.84 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1nn5 h ALA 186 CO 0.07 0.37 0.28 0.28 0.00 0.00 0.00 179.25 180.25 1nn5 h VAL 187 N 0.55 1.24 -0.49 0.00 2.07 -1.05 -2.45 116.25 116.10 1nn5 h VAL 187 Ca 0.11 -0.73 0.04 0.00 0.82 0.00 0.00 66.70 66.94 1nn5 h VAL 187 Cb 0.55 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1nn5 h VAL 187 CO 0.03 0.29 0.25 -0.74 0.02 0.00 0.00 177.57 177.42 1nn5 h HIS 188 N 0.94 0.47 -0.90 1.57 6.17 -1.00 -0.96 115.15 121.44 1nn5 h HIS 188 Ca 0.22 0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.30 1nn5 h HIS 188 Cb 0.19 -0.14 -0.04 0.00 2.52 0.00 0.00 27.41 29.94 1nn5 h HIS 188 CO 0.01 0.23 0.48 1.49 0.71 0.00 0.00 177.93 180.86 1nn5 h GLU 189 N 0.50 1.26 -0.22 5.26 4.57 -0.92 0.21 114.58 125.24 1nn5 h GLU 189 Ca 0.22 -0.15 0.01 0.00 -1.18 0.00 0.00 59.36 58.25 1nn5 h GLU 189 Cb 0.12 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 1nn5 h GLU 189 CO -0.15 0.93 0.13 -0.44 -1.18 0.00 0.00 179.01 178.30 1nn5 h ASP 190 N 1.26 0.21 -0.45 1.04 3.32 -0.98 -1.16 116.42 119.66 1nn5 h ASP 190 Ca 0.32 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.27 1nn5 h ASP 190 Cb 0.04 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1nn5 h ASP 190 CO -0.05 0.15 -0.07 0.40 -1.72 0.00 0.00 179.24 177.95 1nn5 h ILE 191 N 0.27 1.26 -0.41 0.35 2.04 -0.73 -2.44 117.51 117.85 1nn5 h ILE 191 Ca 0.09 -1.17 -0.04 0.00 1.00 0.00 0.00 64.86 64.74 1nn5 h ILE 191 Cb -0.00 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1nn5 h ILE 191 CO -0.04 0.41 0.11 -0.09 0.00 0.00 0.00 178.15 178.53 1nn5 h ARG 192 N 0.82 0.66 -0.56 2.37 2.43 -0.20 -0.68 114.38 119.22 1nn5 h ARG 192 Ca 0.14 -0.16 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 1nn5 h ARG 192 Cb 0.58 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 1nn5 h ARG 192 CO 0.04 0.67 -0.01 0.28 -1.51 0.00 0.00 179.97 179.43 1nn5 h VAL 193 N 0.53 1.26 -0.67 0.20 2.07 -1.17 -0.44 116.25 118.03 1nn5 h VAL 193 Ca 0.13 -1.13 -0.04 0.00 0.82 0.00 0.00 66.70 66.48 1nn5 h VAL 193 Cb 0.30 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1nn5 h VAL 193 CO 0.00 0.41 0.25 -0.07 0.02 0.00 0.00 177.57 178.17 1nn5 h LEU 194 N 0.90 0.92 -0.35 2.57 3.38 -1.21 -2.44 115.31 119.08 1nn5 h LEU 194 Ca 0.16 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1nn5 h LEU 194 Cb 0.54 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1nn5 h LEU 194 CO 0.03 0.84 -0.06 0.28 0.09 0.00 0.00 178.44 179.61 1nn5 h SER 195 N 0.98 0.66 -0.98 -0.43 0.02 -0.71 -1.70 113.55 111.39 1nn5 h SER 195 Ca 0.22 -0.35 0.04 0.00 -0.84 0.00 0.00 61.79 60.87 1nn5 h SER 195 Cb 0.22 -0.18 -0.06 0.00 0.14 0.00 0.00 62.40 62.52 1nn5 h SER 195 CO -0.02 0.86 0.64 -0.33 -1.14 0.00 0.00 176.83 176.84 1nn5 h GLU 196 N 0.45 1.17 -0.34 3.45 4.39 -0.88 -1.10 114.58 121.73 1nn5 h GLU 196 Ca 0.09 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 1nn5 h GLU 196 Cb 0.56 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1nn5 h GLU 196 CO 0.03 0.78 0.05 -0.44 -1.16 0.00 0.00 179.01 178.26 1nn5 h ASP 197 N 1.21 0.55 -0.75 1.42 3.32 -1.28 -2.40 116.42 118.49 1nn5 h ASP 197 Ca 0.40 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1nn5 h ASP 197 Cb 0.05 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1nn5 h ASP 197 CO -0.14 0.68 0.37 0.00 -1.72 0.00 0.00 179.24 178.43 1nn5 h ALA 198 N 0.89 0.96 -0.81 3.45 0.00 -0.79 -0.89 119.26 122.08 1nn5 h ALA 198 Ca 0.10 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1nn5 h ALA 198 Cb 0.37 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1nn5 h ALA 198 CO 0.01 0.52 0.54 0.82 0.00 0.00 0.00 179.25 181.13 1nn5 h ILE 199 N 1.05 1.21 0.41 0.00 2.04 -1.06 -0.69 117.51 120.47 1nn5 h ILE 199 Ca 0.26 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 1nn5 h ILE 199 Cb 0.10 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.20 1nn5 h ILE 199 CO -0.03 0.20 -0.20 0.00 0.00 0.00 0.00 178.15 178.12 1nn5 h ALA 200 N 1.30 -0.65 0.07 1.87 0.00 -1.19 -3.36 119.26 117.30 1nn5 h ALA 200 Ca 0.30 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.91 1nn5 h ALA 200 Cb -0.13 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1nn5 h ALA 200 CO -0.06 -0.60 -0.87 1.79 0.00 0.00 0.00 179.25 179.50 1nn5 h THR 201 N -0.97 1.32 0.00 0.00 1.35 -1.22 -3.36 112.91 110.04 1nn5 h THR 201 Ca -0.06 -2.38 -0.00 0.00 -0.55 0.00 0.00 66.41 63.42 1nn5 h THR 201 Cb 0.43 2.92 -0.00 0.00 -1.73 0.00 0.00 68.15 69.76 1nn5 h THR 201 CO 0.09 0.61 -0.00 0.00 -0.25 0.00 0.00 175.52 175.97 1nn5 h ALA 202 N -0.09 1.79 0.00 6.62 0.00 -1.25 -2.94 119.26 123.39 1nn5 h ALA 202 Ca -0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1nn5 h ALA 202 Cb 1.45 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1nn5 h ALA 202 CO 0.01 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.52 1nn5 n THR 203 N -4.23 0.66 0.26 0.00 -2.24 -1.20 -3.54 114.28 103.98 1nn5 n THR 203 Ca -0.03 0.13 0.05 0.00 -2.27 0.00 0.00 64.05 61.93 1nn5 n THR 203 Cb 0.09 -0.85 0.22 0.00 -2.10 0.00 0.00 70.33 67.69 1nn5 n THR 203 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nn5 n GLU 204 N -1.67 0.03 -4.32 -0.78 1.02 -1.11 -4.65 120.64 109.16 1nn5 n GLU 204 Ca 0.04 0.40 -0.26 0.00 -0.02 0.00 0.00 57.16 57.32 1nn5 n GLU 204 Cb 0.25 -1.57 -0.09 0.00 -0.02 0.00 0.00 31.44 30.01 1nn5 n GLU 204 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1nn5 s LYS 205 N -3.07 1.98 0.71 3.49 1.02 -1.23 -5.11 119.74 117.52 1nn5 s LYS 205 Ca 0.03 -1.35 -0.16 0.00 0.02 0.00 0.00 55.97 54.51 1nn5 s LYS 205 Cb 0.05 -2.09 0.03 0.00 -0.52 0.00 0.00 37.83 35.30 1nn5 s LYS 205 CO 0.16 0.42 1.21 -2.14 -0.92 0.00 0.00 175.35 174.08 1nn5 s PRO 206 N -2.93 2.29 0.16 -1.68 0.02 -1.26 -4.92 135.00 126.68 1nn5 s PRO 206 Ca 0.25 1.79 -0.32 0.00 0.02 0.00 0.00 61.00 62.74 1nn5 s PRO 206 Cb -0.08 -1.85 -0.12 0.00 0.02 0.00 0.00 34.50 32.47 1nn5 s PRO 206 CO 0.15 -1.73 1.75 -0.11 -0.33 0.00 0.00 177.00 176.73 1nn5 n LEU 207 N -2.51 3.89 -4.97 -5.54 7.94 -1.26 -4.98 117.00 109.57 1nn5 n LEU 207 Ca 0.14 1.03 -0.26 0.00 -1.11 0.00 0.00 56.01 55.81 1nn5 n LEU 207 Cb 0.50 -1.54 0.15 0.00 0.53 0.00 0.00 43.42 43.06 1nn5 n LEU 207 CO 0.47 0.12 0.70 -0.83 -1.11 0.00 0.00 177.39 176.73 1nn5 s GLY 208 N 1.77 1.77 -0.10 -3.96 0.00 -1.26 -4.92 107.32 100.62 1nn5 s GLY 208 Ca 0.78 -1.56 0.03 0.00 0.00 0.00 0.00 44.72 43.97 1nn5 s GLY 208 CO 0.35 -0.89 -0.19 -0.54 0.00 0.00 0.00 173.10 171.83 1nn5 s GLU 209 N -5.48 3.03 0.16 2.90 2.02 -1.26 -1.21 118.70 118.85 1nn5 s GLU 209 Ca 0.70 -0.80 -0.30 0.00 0.02 0.00 0.00 54.97 54.60 1nn5 s GLU 209 Cb -0.04 -2.40 -0.08 0.00 0.10 0.00 0.00 34.13 31.71 1nn5 s GLU 209 CO 0.48 0.27 1.26 -1.17 0.02 0.00 0.00 175.26 176.13 1nn5 s LEU 210 N 0.14 4.42 -1.70 1.80 2.96 0.11 -3.55 118.68 122.86 1nn5 s LEU 210 Ca -0.10 2.26 0.00 0.00 -0.22 0.00 0.00 54.13 56.07 1nn5 s LEU 210 Cb -0.16 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.93 1nn5 s LEU 210 CO 0.06 -0.47 0.00 0.79 -1.32 0.00 0.00 176.35 175.41 1nn5 n TRP 211 N 2.97 -0.98 -1.62 5.38 8.01 -1.26 -0.57 117.44 129.37 1nn5 n TRP 211 Ca 0.07 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.26 1nn5 n TRP 211 Cb 0.44 -3.74 0.00 0.00 -2.01 0.00 0.00 31.31 26.00 1nn5 n TRP 211 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.69 177.04