#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nmm s GLU 2 N 0.00 3.17 0.78 -2.82 2.02 -1.26 -1.47 118.70 119.12 1nmm s GLU 2 Ca 0.00 -0.38 -0.09 0.00 0.02 0.00 0.00 54.97 54.51 1nmm s GLU 2 Cb 0.00 -4.19 0.09 0.00 0.10 0.00 0.00 34.13 30.13 1nmm s GLU 2 CO 0.00 -2.06 1.11 -0.51 0.02 0.00 0.00 175.26 173.82 1nmm s LEU 3 N 5.32 2.72 0.32 1.80 1.43 0.17 -4.98 118.68 125.45 1nmm s LEU 3 Ca 0.32 0.47 0.06 0.00 -1.03 0.00 0.00 54.13 53.95 1nmm s LEU 3 Cb -0.10 -2.95 -0.01 0.00 0.03 0.00 0.00 46.19 43.16 1nmm s LEU 3 CO 0.14 -1.90 0.44 0.42 0.23 0.00 0.00 176.35 175.68 1nmm s THR 4 N -3.44 4.27 0.22 5.49 -4.23 -1.26 -4.80 115.64 111.89 1nmm s THR 4 Ca 0.63 -1.02 -0.08 0.00 -1.18 0.00 0.00 61.69 60.05 1nmm s THR 4 Cb -0.09 -3.48 0.18 0.00 1.34 0.00 0.00 72.50 70.45 1nmm s THR 4 CO 0.47 -0.19 1.85 0.50 -0.54 0.00 0.00 174.62 176.71 1nmm h LYS 5 N 0.97 0.89 -0.11 3.99 3.64 -1.98 -1.56 116.57 122.41 1nmm h LYS 5 Ca -0.47 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 58.74 1nmm h LYS 5 Cb 1.25 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 1nmm h LYS 5 CO 0.55 0.59 -0.45 0.00 -2.27 0.00 0.00 179.45 177.86 1nmm h LYS 7 N 0.22 0.31 0.01 0.00 3.11 -1.82 -2.12 116.57 116.28 1nmm h LYS 7 Ca 0.02 -0.08 -0.00 0.00 -2.81 0.00 0.00 60.65 57.78 1nmm h LYS 7 Cb 0.88 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.08 1nmm h LYS 7 CO 0.07 0.45 -0.00 0.28 -2.81 0.00 0.00 179.45 177.43 1nmm h VAL 8 N 0.11 0.99 -0.97 2.00 2.07 -1.11 -1.99 116.25 117.35 1nmm h VAL 8 Ca 0.06 -0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.66 1nmm h VAL 8 Cb 0.28 0.99 -0.07 0.00 -1.52 0.00 0.00 31.29 30.97 1nmm h VAL 8 CO 0.00 0.00 0.62 0.28 0.02 0.00 0.00 177.57 178.50 1nmm h SER 9 N -0.01 0.95 0.06 0.57 0.02 -0.92 -1.67 113.55 112.55 1nmm h SER 9 Ca -0.00 0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.83 1nmm h SER 9 Cb 0.01 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1nmm h SER 9 CO 0.00 0.57 -0.49 0.45 -1.14 0.00 0.00 176.83 176.22 1nmm h HIS 10 N 1.06 0.60 0.00 3.45 -0.00 -1.14 -3.22 115.15 115.90 1nmm h HIS 10 Ca 0.44 -0.20 -0.12 0.00 -0.00 0.00 0.00 60.37 60.50 1nmm h HIS 10 Cb 0.30 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.57 1nmm h HIS 10 CO -0.00 0.89 -0.55 0.00 -0.00 0.00 0.00 177.93 178.26 1nmm h ALA 11 N 1.08 0.92 -0.66 2.45 0.00 -0.57 -3.30 119.26 119.18 1nmm h ALA 11 Ca 0.02 -0.50 -0.12 0.00 0.00 0.00 0.00 54.91 54.31 1nmm h ALA 11 Cb 1.00 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 1nmm h ALA 11 CO 0.09 0.69 0.15 0.44 0.00 0.00 0.00 179.25 180.62 1nmm n ILE 12 N -3.64 2.86 -0.26 0.00 -5.35 -0.78 -4.69 119.36 107.51 1nmm n ILE 12 Ca -0.01 -1.55 0.06 0.00 -0.27 0.00 0.00 62.75 60.98 1nmm n ILE 12 Cb 0.61 -0.32 0.19 0.00 -1.74 0.00 0.00 39.64 38.38 1nmm n ILE 12 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1nmm h LYS 13 N 3.24 0.39 0.00 6.28 1.57 -1.65 -0.37 116.57 126.04 1nmm h LYS 13 Ca 0.14 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1nmm h LYS 13 Cb 2.17 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.39 1nmm h LYS 13 CO 0.62 0.26 0.00 -3.47 -0.57 0.00 0.00 179.45 176.29 1nmm n ASP 14 N -5.04 0.23 0.01 0.86 -0.08 -1.26 -0.71 116.55 110.57 1nmm n ASP 14 Ca 0.15 0.61 0.11 0.00 -1.51 0.00 0.00 54.79 54.14 1nmm n ASP 14 Cb 0.44 -0.64 0.02 0.00 2.34 0.00 0.00 41.12 43.28 1nmm n ASP 14 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1nmm n ILE 15 N -1.81 0.10 -1.59 5.18 3.06 -0.15 -4.82 119.36 119.33 1nmm n ILE 15 Ca -0.01 -0.17 -0.45 0.00 -2.50 0.00 0.00 62.75 59.63 1nmm n ILE 15 Cb 0.02 0.37 -0.04 0.00 0.54 0.00 0.00 39.64 40.53 1nmm n ILE 15 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1nmm n ASP 16 N -1.81 3.16 0.00 9.51 2.03 0.11 -1.40 116.55 128.15 1nmm n ASP 16 Ca 0.03 0.44 0.00 0.00 0.52 0.00 0.00 54.79 55.78 1nmm n ASP 16 Cb 0.40 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.34 1nmm n ASP 16 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nmm n GLY 17 N 5.60 1.21 3.74 0.27 0.00 0.12 -4.97 105.19 111.17 1nmm n GLY 17 Ca 0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 1nmm n GLY 17 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1nmm s TYR 18 N -2.43 2.87 -1.68 1.61 5.04 -0.49 -0.74 117.35 121.52 1nmm s TYR 18 Ca 0.00 0.67 0.00 0.00 -2.44 0.00 0.00 57.07 55.30 1nmm s TYR 18 Cb 0.00 -4.04 0.00 0.00 0.35 0.00 0.00 41.96 38.27 1nmm s TYR 18 CO 0.00 -3.66 0.00 0.94 -1.34 0.00 0.00 175.55 171.49 1nmm n GLN 19 N 2.94 -1.45 -1.02 4.97 -0.06 -1.26 -1.63 117.38 119.87 1nmm n GLN 19 Ca 0.11 0.94 -0.01 0.00 -2.00 0.00 0.00 57.00 56.04 1nmm n GLN 19 Cb 0.37 -5.29 -0.00 0.00 -4.06 0.00 0.00 30.24 21.26 1nmm n GLN 19 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1nmm n GLY 20 N -0.40 0.48 3.62 1.69 0.00 0.08 -5.00 105.19 105.66 1nmm n GLY 20 Ca -0.17 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 1nmm n GLY 20 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nmm s ILE 21 N -1.97 5.26 0.78 -0.61 -1.09 -0.64 -4.88 121.20 118.04 1nmm s ILE 21 Ca 0.00 0.15 -0.10 0.00 -2.23 0.00 0.00 60.65 58.47 1nmm s ILE 21 Cb 0.00 -3.47 0.08 0.00 -1.58 0.00 0.00 42.46 37.49 1nmm s ILE 21 CO 0.00 0.32 1.12 -0.94 -1.23 0.00 0.00 174.94 174.21 1nmm s SER 22 N 1.32 4.54 0.31 3.58 1.04 -1.26 0.15 113.70 123.37 1nmm s SER 22 Ca 0.07 0.61 0.02 0.00 0.48 0.00 0.00 55.95 57.14 1nmm s SER 22 Cb -0.14 -1.14 0.51 0.00 0.10 0.00 0.00 66.02 65.35 1nmm s SER 22 CO 0.07 -1.84 1.84 -0.07 0.98 0.00 0.00 173.24 174.22 1nmm h LEU 23 N -0.91 0.59 -0.17 2.42 3.38 -1.93 -2.02 115.31 116.67 1nmm h LEU 23 Ca -0.45 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.40 1nmm h LEU 23 Cb 1.32 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1nmm h LEU 23 CO 0.62 0.65 0.08 -0.07 0.09 0.00 0.00 178.44 179.81 1nmm h LEU 24 N 0.60 0.23 -1.19 1.67 3.38 -1.91 -0.04 115.31 118.06 1nmm h LEU 24 Ca 0.13 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1nmm h LEU 24 Cb 0.34 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1nmm h LEU 24 CO 0.01 0.29 0.42 -0.33 0.09 0.00 0.00 178.44 178.92 1nmm h GLU 25 N 0.14 0.97 -0.25 1.13 5.08 -1.84 -2.15 114.58 117.67 1nmm h GLU 25 Ca 0.06 -0.09 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 1nmm h GLU 25 Cb 0.13 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1nmm h GLU 25 CO -0.01 0.69 -0.36 -1.49 -1.00 0.00 0.00 179.01 176.85 1nmm h TRP 26 N 0.99 0.84 -0.68 4.33 4.06 -1.05 0.64 115.95 125.07 1nmm h TRP 26 Ca 0.26 -0.28 0.10 0.00 2.06 0.00 0.00 58.89 61.02 1nmm h TRP 26 Cb -0.02 -0.16 -0.07 0.00 -1.00 0.00 0.00 29.16 27.90 1nmm h TRP 26 CO 0.00 1.04 0.31 0.00 -3.56 0.00 0.00 178.44 176.23 1nmm h ALA 27 N 0.65 0.93 0.02 1.49 0.00 -0.70 0.19 119.26 121.84 1nmm h ALA 27 Ca 0.03 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1nmm h ALA 27 Cb 0.94 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1nmm h ALA 27 CO 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 179.25 179.22 1nmm h VAL 29 N -0.26 0.98 -0.57 0.00 2.07 -0.22 -2.61 116.25 115.64 1nmm h VAL 29 Ca -0.00 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 1nmm h VAL 29 Cb 0.25 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1nmm h VAL 29 CO 0.00 0.04 0.07 -0.07 0.02 0.00 0.00 177.57 177.64 1nmm h LEU 30 N 0.24 0.89 -0.35 2.57 3.38 -0.66 0.46 115.31 121.84 1nmm h LEU 30 Ca 0.10 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.90 1nmm h LEU 30 Cb 0.04 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1nmm h LEU 30 CO -0.08 0.90 0.17 0.15 0.09 0.00 0.00 178.44 179.68 1nmm h PHE 31 N 0.87 0.31 0.00 1.13 3.57 -1.09 -1.38 116.94 120.36 1nmm h PHE 31 Ca 0.18 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1nmm h PHE 31 Cb 0.42 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1nmm h PHE 31 CO 0.03 0.16 0.00 0.45 -2.23 0.00 0.00 178.31 176.72 1nmm h HIS 32 N 0.35 0.00 0.07 0.41 3.86 -1.20 0.40 115.15 119.04 1nmm h HIS 32 Ca 0.15 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.16 1nmm h HIS 32 Cb 0.07 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 1nmm h HIS 32 CO -0.10 0.00 -1.05 1.15 0.86 0.00 0.00 177.93 178.79 1nmm h THR 33 N 0.00 1.19 0.00 2.45 2.02 -0.47 -3.43 112.91 114.67 1nmm h THR 33 Ca 0.00 -2.35 0.00 0.00 0.77 0.00 0.00 66.41 64.83 1nmm h THR 33 Cb 0.68 2.77 0.00 0.00 -1.74 0.00 0.00 68.15 69.86 1nmm h THR 33 CO 0.00 0.60 0.00 -1.54 0.37 0.00 0.00 175.52 174.95 1nmm n SER 34 N -4.19 0.31 -1.79 4.18 3.41 -0.56 -4.90 113.62 110.08 1nmm n SER 34 Ca -0.23 -0.98 -0.16 0.00 -0.26 0.00 0.00 58.87 57.25 1nmm n SER 34 Cb 0.76 0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.71 1nmm n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nmm n GLY 35 N 0.01 -0.17 2.48 5.00 0.00 0.13 -1.89 105.19 110.74 1nmm n GLY 35 Ca 0.00 -0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 1nmm n GLY 35 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1nmm n TYR 36 N -3.92 -0.44 -3.16 1.61 4.01 -1.23 -4.74 117.16 109.30 1nmm n TYR 36 Ca -0.19 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.12 1nmm n TYR 36 Cb 0.64 -3.54 -0.07 0.00 -0.31 0.00 0.00 39.34 36.06 1nmm n TYR 36 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1nmm s ASP 37 N -2.44 6.25 0.27 7.72 2.15 -0.79 -0.65 116.67 129.17 1nmm s ASP 37 Ca 0.00 -0.69 0.19 0.00 0.43 0.00 0.00 52.55 52.48 1nmm s ASP 37 Cb 0.00 -2.29 1.00 0.00 -0.30 0.00 0.00 42.92 41.33 1nmm s ASP 37 CO 0.00 -0.82 1.59 0.35 -0.17 0.00 0.00 175.17 176.12 1nmm n THR 38 N 5.68 1.12 -0.67 1.71 -2.24 -0.54 -1.98 114.28 117.36 1nmm n THR 38 Ca -0.05 0.63 0.08 0.00 -2.27 0.00 0.00 64.05 62.44 1nmm n THR 38 Cb 0.46 -1.62 0.24 0.00 -2.10 0.00 0.00 70.33 67.31 1nmm n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nmm n GLN 39 N -2.16 3.06 -1.96 -0.78 6.02 -1.26 -3.99 117.38 116.31 1nmm n GLN 39 Ca -0.01 -2.58 -0.41 0.00 -0.01 0.00 0.00 57.00 54.00 1nmm n GLN 39 Cb 0.06 -1.66 -0.01 0.00 1.02 0.00 0.00 30.24 29.65 1nmm n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nmm s ALA 40 N -2.09 3.55 -0.08 -1.58 0.00 -0.84 -4.75 121.76 115.98 1nmm s ALA 40 Ca 0.37 1.42 -0.02 0.00 0.00 0.00 0.00 51.96 53.72 1nmm s ALA 40 Cb 0.26 -3.55 0.03 0.00 0.00 0.00 0.00 23.12 19.87 1nmm s ALA 40 CO 0.13 -0.85 0.03 0.08 0.00 0.00 0.00 175.76 175.16 1nmm s VAL 41 N -1.01 0.19 -0.02 0.00 1.01 -1.26 -0.58 120.40 118.73 1nmm s VAL 41 Ca 0.52 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.68 1nmm s VAL 41 Cb -0.43 -0.45 -0.00 0.00 0.00 0.00 0.00 36.38 35.50 1nmm s VAL 41 CO 0.57 0.15 -0.12 -0.69 0.00 0.00 0.00 175.10 175.01 1nmm s VAL 42 N 2.04 0.96 0.21 2.92 1.01 -0.57 -4.97 120.40 122.00 1nmm s VAL 42 Ca 0.04 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 61.45 1nmm s VAL 42 Cb -0.13 -0.82 -0.07 0.00 0.00 0.00 0.00 36.38 35.36 1nmm s VAL 42 CO -0.05 0.28 0.51 0.20 0.00 0.00 0.00 175.10 176.04 1nmm s ASN 43 N -0.07 6.60 -0.37 3.32 -0.87 -1.26 -0.13 114.94 122.16 1nmm s ASN 43 Ca 0.01 0.86 0.05 0.00 -1.57 0.00 0.00 52.86 52.20 1nmm s ASN 43 Cb -0.07 -2.20 0.17 0.00 -0.02 0.00 0.00 41.25 39.13 1nmm s ASN 43 CO 0.00 -0.04 0.48 -0.62 -2.57 0.00 0.00 177.10 174.35 1nmm s ASP 44 N -2.36 0.03 -0.90 -1.22 -1.08 0.61 -4.94 116.67 106.81 1nmm s ASP 44 Ca 0.46 -1.11 -0.06 0.00 -0.52 0.00 0.00 52.55 51.32 1nmm s ASP 44 Cb -0.11 1.17 -0.01 0.00 -1.46 0.00 0.00 42.92 42.50 1nmm s ASP 44 CO 0.22 -0.24 0.74 -3.20 0.52 0.00 0.00 175.17 173.21 1nmm n ASN 45 N 4.46 -6.55 0.00 -0.34 5.15 -1.26 -2.88 115.26 113.84 1nmm n ASN 45 Ca 0.10 -0.55 0.00 0.00 -0.60 0.00 0.00 54.58 53.53 1nmm n ASN 45 Cb 0.50 -4.24 0.00 0.00 -0.53 0.00 0.00 39.78 35.51 1nmm n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1nmm n GLY 46 N -1.64 0.94 3.19 8.20 0.00 -1.26 -5.01 105.19 109.61 1nmm n GLY 46 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 1nmm n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nmm s SER 47 N -2.89 0.59 -0.02 1.61 1.04 -1.14 -5.02 113.70 107.86 1nmm s SER 47 Ca 0.00 -1.22 0.06 0.00 0.48 0.00 0.00 55.95 55.27 1nmm s SER 47 Cb 0.00 0.25 -0.01 0.00 0.10 0.00 0.00 66.02 66.35 1nmm s SER 47 CO 0.00 -0.70 -0.21 -0.89 0.98 0.00 0.00 173.24 172.42 1nmm s THR 48 N -3.94 1.71 -0.08 2.02 2.01 -1.26 -0.28 115.64 115.81 1nmm s THR 48 Ca 0.26 -0.91 -0.00 0.00 0.31 0.00 0.00 61.69 61.35 1nmm s THR 48 Cb 0.07 -1.42 -0.03 0.00 0.01 0.00 0.00 72.50 71.13 1nmm s THR 48 CO 0.04 0.48 -0.06 -1.61 -0.69 0.00 0.00 174.62 172.78 1nmm s GLU 49 N -0.41 2.90 -0.02 4.92 2.02 0.82 -0.85 118.70 128.08 1nmm s GLU 49 Ca 0.06 -0.53 0.07 0.00 0.02 0.00 0.00 54.97 54.59 1nmm s GLU 49 Cb -0.09 -2.65 -0.02 0.00 0.10 0.00 0.00 34.13 31.47 1nmm s GLU 49 CO -0.00 0.61 -0.24 0.71 0.02 0.00 0.00 175.26 176.36 1nmm s TYR 50 N -0.65 2.15 0.00 1.61 1.51 0.17 -1.51 117.35 120.62 1nmm s TYR 50 Ca 0.10 -0.42 0.00 0.00 -1.01 0.00 0.00 57.07 55.74 1nmm s TYR 50 Cb -0.12 -1.39 0.00 0.00 -0.11 0.00 0.00 41.96 40.35 1nmm s TYR 50 CO 0.02 -0.04 0.00 0.41 -1.11 0.00 0.00 175.55 174.82 1nmm n GLY 51 N 2.51 -1.33 0.29 0.71 0.00 0.26 -1.77 105.19 105.87 1nmm n GLY 51 Ca -0.16 -1.18 0.09 0.00 0.00 0.00 0.00 46.02 44.77 1nmm n GLY 51 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1nmm h LEU 52 N 0.00 0.19 -0.56 0.99 5.85 -1.69 -1.01 115.31 119.08 1nmm h LEU 52 Ca 0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1nmm h LEU 52 Cb 0.00 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1nmm h LEU 52 CO 0.00 -0.00 -0.28 0.49 -0.34 0.00 0.00 178.44 178.31 1nmm n PHE 53 N -5.09 0.00 -3.69 1.25 3.72 -1.26 -4.20 117.46 108.19 1nmm n PHE 53 Ca 0.18 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.31 1nmm n PHE 53 Cb 0.54 -0.11 0.03 0.00 -0.94 0.00 0.00 39.48 39.01 1nmm n PHE 53 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1nmm n GLN 54 N -0.56 -2.54 -2.65 -1.08 1.13 -0.38 -4.92 117.38 106.38 1nmm n GLN 54 Ca 0.12 0.53 -0.42 0.00 -1.94 0.00 0.00 57.00 55.29 1nmm n GLN 54 Cb 0.36 -4.61 -0.03 0.00 0.11 0.00 0.00 30.24 26.07 1nmm n GLN 54 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1nmm s ILE 55 N -3.59 4.69 0.21 5.09 1.01 -0.73 -4.39 121.20 123.49 1nmm s ILE 55 Ca 0.28 1.94 -0.24 0.00 0.00 0.00 0.00 60.65 62.63 1nmm s ILE 55 Cb -0.09 -4.24 -0.08 0.00 0.01 0.00 0.00 42.46 38.05 1nmm s ILE 55 CO 0.84 0.10 0.80 -0.55 0.00 0.00 0.00 174.94 176.14 1nmm s SER 56 N 1.07 7.33 0.00 3.58 0.15 -1.26 -0.66 113.70 123.91 1nmm s SER 56 Ca 0.52 1.64 0.30 0.00 0.70 0.00 0.00 55.95 59.11 1nmm s SER 56 Cb -0.22 -2.50 1.61 0.00 -1.71 0.00 0.00 66.02 63.20 1nmm s SER 56 CO 0.25 0.13 2.06 -0.90 1.20 0.00 0.00 173.24 175.98 1nmm n ASP 57 N 1.24 0.00 -0.14 5.45 5.75 -0.03 -2.28 116.55 126.54 1nmm n ASP 57 Ca -0.04 -0.47 -0.02 0.00 -0.01 0.00 0.00 54.79 54.26 1nmm n ASP 57 Cb 0.49 -0.17 0.21 0.00 -1.03 0.00 0.00 41.12 40.63 1nmm n ASP 57 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 1nmm h ARG 58 N 0.00 0.85 0.00 0.11 2.43 -1.82 -3.40 114.38 112.55 1nmm h ARG 58 Ca 0.00 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1nmm h ARG 58 Cb 0.16 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1nmm h ARG 58 CO 0.00 0.71 -0.03 1.19 -1.51 0.00 0.00 179.97 180.33 1nmm n PHE 59 N -4.32 0.00 0.03 2.20 3.72 -1.24 -4.37 117.46 113.48 1nmm n PHE 59 Ca 0.05 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.23 1nmm n PHE 59 Cb 0.17 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.57 1nmm n PHE 59 CO 0.00 0.00 0.00 -1.49 -0.05 0.00 0.00 176.76 175.22 1nmm h TRP 60 N 0.00 0.59 -3.44 1.38 4.06 -1.67 0.96 115.95 117.82 1nmm h TRP 60 Ca 0.00 -0.43 -0.32 0.00 2.06 0.00 0.00 58.89 60.20 1nmm h TRP 60 Cb 0.03 -0.02 -0.15 0.00 -1.00 0.00 0.00 29.16 28.02 1nmm h TRP 60 CO 0.00 1.74 -0.70 0.00 -3.56 0.00 0.00 178.44 175.92 1nmm s LYS 62 N -3.79 4.23 0.33 0.00 2.20 -0.05 -4.43 119.74 118.24 1nmm s LYS 62 Ca 0.19 0.22 0.09 0.00 -0.36 0.00 0.00 55.97 56.11 1nmm s LYS 62 Cb 0.04 -3.49 -0.06 0.00 -1.51 0.00 0.00 37.83 32.81 1nmm s LYS 62 CO 0.02 0.08 -0.09 -1.54 -0.36 0.00 0.00 175.35 173.46 1nmm s SER 63 N 0.81 3.53 0.32 1.43 1.04 -1.25 -0.93 113.70 118.65 1nmm s SER 63 Ca 0.20 -1.20 0.16 0.00 0.48 0.00 0.00 55.95 55.59 1nmm s SER 63 Cb -0.14 -0.31 0.41 0.00 0.10 0.00 0.00 66.02 66.07 1nmm s SER 63 CO 0.07 -0.23 1.61 0.77 0.98 0.00 0.00 173.24 176.44 1nmm h SER 64 N 2.07 0.00 -0.01 7.02 4.64 -1.98 -2.50 113.55 122.80 1nmm h SER 64 Ca -0.42 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.76 1nmm h SER 64 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 1nmm h SER 64 CO 0.70 0.49 -0.47 -0.08 -0.87 0.00 0.00 176.83 176.60 1nmm h GLU 65 N 0.00 0.56 -2.35 4.77 4.81 -2.02 -3.37 114.58 116.97 1nmm h GLU 65 Ca -0.00 -0.32 -0.59 0.00 -0.13 0.00 0.00 59.36 58.32 1nmm h GLU 65 Cb 1.12 0.02 -0.39 0.00 0.63 0.00 0.00 28.75 30.13 1nmm h GLU 65 CO 0.06 0.91 -0.93 0.34 -0.73 0.00 0.00 179.01 178.67 1nmm n PHE 66 N -4.00 0.17 0.23 0.92 7.35 -1.15 -5.00 117.46 115.99 1nmm n PHE 66 Ca -0.02 -3.58 0.07 0.00 -0.76 0.00 0.00 57.45 53.15 1nmm n PHE 66 Cb 0.56 -0.09 0.54 0.00 0.35 0.00 0.00 39.48 40.84 1nmm n PHE 66 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1nmm h PRO 67 N 5.04 0.00 -0.70 -7.13 0.11 -1.63 -3.10 132.00 124.59 1nmm h PRO 67 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1nmm h PRO 67 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1nmm h PRO 67 CO 0.48 0.19 0.00 -1.91 -0.21 0.00 0.00 178.00 176.55 1nmm n GLU 68 N -4.14 2.62 -1.36 1.05 2.13 -1.26 -4.88 120.64 114.80 1nmm n GLU 68 Ca -0.02 -1.45 -0.36 0.00 0.66 0.00 0.00 57.16 55.99 1nmm n GLU 68 Cb 0.26 -1.73 0.08 0.00 0.27 0.00 0.00 31.44 30.33 1nmm n GLU 68 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1nmm n SER 69 N 0.35 0.42 0.28 4.31 2.88 -1.17 -4.82 113.62 115.87 1nmm n SER 69 Ca 0.13 0.67 0.17 0.00 -1.33 0.00 0.00 58.87 58.51 1nmm n SER 69 Cb 0.61 -1.40 0.95 0.00 -0.75 0.00 0.00 64.21 63.62 1nmm n SER 69 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1nmm h GLU 70 N -0.23 0.00 -6.90 -1.46 4.57 -1.76 -3.46 114.58 105.34 1nmm h GLU 70 Ca -0.47 0.00 -0.58 0.00 -1.18 0.00 0.00 59.36 57.12 1nmm h GLU 70 Cb 1.34 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 29.78 1nmm h GLU 70 CO 0.47 0.00 -0.95 -1.71 -1.18 0.00 0.00 179.01 175.63 1nmm n ASN 71 N -3.66 -0.10 -0.19 1.04 4.05 -0.77 -4.80 115.26 110.83 1nmm n ASN 71 Ca -0.02 -1.21 0.17 0.00 0.45 0.00 0.00 54.58 53.97 1nmm n ASN 71 Cb 0.16 -2.02 0.51 0.00 1.23 0.00 0.00 39.78 39.66 1nmm n ASN 71 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 1nmm h ILE 72 N -1.90 0.75 0.00 -1.44 2.04 -0.71 0.19 117.51 116.45 1nmm h ILE 72 Ca -0.66 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.06 1nmm h ILE 72 Cb 1.39 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1nmm h ILE 72 CO 0.66 0.07 0.00 0.00 0.00 0.00 0.00 178.15 178.89 1nmm n GLY 74 N 1.07 -0.45 3.50 0.00 0.00 0.68 -4.96 105.19 105.02 1nmm n GLY 74 Ca 0.05 0.17 -0.18 0.00 0.00 0.00 0.00 46.02 46.07 1nmm n GLY 74 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1nmm s ILE 75 N -3.31 0.00 0.22 -0.61 2.07 -1.26 -5.07 121.20 113.25 1nmm s ILE 75 Ca 0.15 -0.04 -0.30 0.00 -1.41 0.00 0.00 60.65 59.06 1nmm s ILE 75 Cb -0.02 -0.97 -0.09 0.00 0.13 0.00 0.00 42.46 41.51 1nmm s ILE 75 CO 0.61 -0.02 1.10 -0.55 -1.91 0.00 0.00 174.94 174.17 1nmm s SER 76 N -1.21 7.27 0.60 4.50 0.15 -1.26 -0.87 113.70 122.88 1nmm s SER 76 Ca -0.11 2.17 0.32 0.00 0.70 0.00 0.00 55.95 59.02 1nmm s SER 76 Cb -0.00 -2.61 1.90 0.00 -1.71 0.00 0.00 66.02 63.59 1nmm s SER 76 CO 0.09 -0.18 2.27 0.00 1.20 0.00 0.00 173.24 176.62 1nmm h ASP 78 N 0.00 0.00 0.49 0.00 3.32 -1.91 -0.86 116.42 117.46 1nmm h ASP 78 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1nmm h ASP 78 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1nmm h ASP 78 CO 0.00 0.04 0.00 0.29 -1.72 0.00 0.00 179.24 177.86 1nmm n LYS 79 N -3.28 0.06 -0.17 3.56 4.76 -0.53 -2.17 118.16 120.40 1nmm n LYS 79 Ca -0.01 0.20 0.12 0.00 -2.87 0.00 0.00 58.31 55.74 1nmm n LYS 79 Cb 0.21 -1.50 0.20 0.00 -1.84 0.00 0.00 35.03 32.10 1nmm n LYS 79 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1nmm n LEU 80 N -1.44 3.41 -1.08 -0.35 4.77 -0.33 -4.27 117.00 117.71 1nmm n LEU 80 Ca 0.05 -1.45 0.07 0.00 -0.03 0.00 0.00 56.01 54.65 1nmm n LEU 80 Cb 0.17 -0.22 0.27 0.00 -2.33 0.00 0.00 43.42 41.32 1nmm n LEU 80 CO 0.14 0.72 0.74 0.18 -1.33 0.00 0.00 177.39 177.84 1nmm n LEU 81 N 1.47 4.23 0.00 2.23 4.77 -0.92 -3.42 117.00 125.35 1nmm n LEU 81 Ca 0.19 -3.08 -0.12 0.00 -0.03 0.00 0.00 56.01 52.97 1nmm n LEU 81 Cb 0.60 -0.58 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 1nmm n LEU 81 CO 0.16 0.72 -0.07 -0.90 -1.33 0.00 0.00 177.39 175.96 1nmm n ASP 82 N -0.42 2.38 -1.40 -1.43 5.68 -1.26 -4.52 116.55 115.58 1nmm n ASP 82 Ca 0.24 -1.80 0.10 0.00 -0.50 0.00 0.00 54.79 52.82 1nmm n ASP 82 Cb 0.97 0.11 0.32 0.00 -1.14 0.00 0.00 41.12 41.37 1nmm n ASP 82 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1nmm n ASP 83 N -1.25 4.12 -4.38 -1.12 8.00 -1.26 -4.76 116.55 115.90 1nmm n ASP 83 Ca -0.07 -2.25 -0.44 0.00 0.71 0.00 0.00 54.79 52.75 1nmm n ASP 83 Cb 0.24 -0.52 -0.08 0.00 -0.02 0.00 0.00 41.12 40.74 1nmm n ASP 83 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1nmm s GLU 84 N -1.53 2.93 0.00 -1.24 2.02 -1.26 -4.94 118.70 114.68 1nmm s GLU 84 Ca 0.47 -1.32 0.28 0.00 0.02 0.00 0.00 54.97 54.42 1nmm s GLU 84 Cb 0.28 -4.07 1.16 0.00 0.10 0.00 0.00 34.13 31.59 1nmm s GLU 84 CO 0.26 -0.98 1.81 1.28 0.02 0.00 0.00 175.26 177.65 1nmm n LEU 85 N 5.16 0.77 -0.22 1.80 4.32 -1.26 -4.33 117.00 123.23 1nmm n LEU 85 Ca -0.12 -0.16 -0.03 0.00 -0.02 0.00 0.00 56.01 55.68 1nmm n LEU 85 Cb 0.44 -0.11 0.08 0.00 -1.62 0.00 0.00 43.42 42.21 1nmm n LEU 85 CO 0.45 0.14 1.09 0.44 -1.22 0.00 0.00 177.39 178.29 1nmm h ASP 86 N 1.03 0.57 1.02 -1.43 5.19 -1.92 -0.10 116.42 120.79 1nmm h ASP 86 Ca 0.00 0.02 -0.15 0.00 -0.62 0.00 0.00 57.03 56.28 1nmm h ASP 86 Cb 0.38 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.77 1nmm h ASP 86 CO 0.00 0.38 -0.73 -2.24 -3.12 0.00 0.00 179.24 173.53 1nmm h ASP 87 N 0.70 0.00 -0.41 6.45 3.04 -1.93 -0.69 116.42 123.58 1nmm h ASP 87 Ca 0.28 0.00 -0.05 0.00 -3.24 0.00 0.00 57.03 54.02 1nmm h ASP 87 Cb 0.12 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.40 1nmm h ASP 87 CO -0.15 0.73 0.07 0.44 -2.04 0.00 0.00 179.24 178.29 1nmm h ASP 88 N 0.00 0.65 -0.41 4.15 3.45 -1.70 -1.45 116.42 121.11 1nmm h ASP 88 Ca -0.01 -0.26 -0.05 0.00 0.43 0.00 0.00 57.03 57.15 1nmm h ASP 88 Cb 1.44 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 40.02 1nmm h ASP 88 CO 0.10 0.74 0.06 0.40 -1.57 0.00 0.00 179.24 178.97 1nmm h ILE 89 N 0.54 1.25 -0.51 0.35 2.04 -0.97 -0.38 117.51 119.83 1nmm h ILE 89 Ca 0.13 -0.90 0.02 0.00 1.00 0.00 0.00 64.86 65.11 1nmm h ILE 89 Cb 0.36 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 1nmm h ILE 89 CO 0.01 0.31 0.31 0.00 0.00 0.00 0.00 178.15 178.77 1nmm h ALA 90 N 0.92 0.65 -0.60 1.87 0.00 -0.95 -0.76 119.26 120.39 1nmm h ALA 90 Ca 0.12 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1nmm h ALA 90 Cb 0.39 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1nmm h ALA 90 CO 0.01 0.02 0.03 0.00 0.00 0.00 0.00 179.25 179.31 1nmm h ALA 92 N 1.08 0.93 -0.54 0.00 0.00 -0.44 -0.42 119.26 119.87 1nmm h ALA 92 Ca 0.18 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1nmm h ALA 92 Cb 0.50 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1nmm h ALA 92 CO 0.02 0.40 0.32 0.87 0.00 0.00 0.00 179.25 180.87 1nmm h LYS 93 N 1.00 0.73 -0.46 0.00 1.57 -0.92 0.19 116.57 118.68 1nmm h LYS 93 Ca 0.26 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.86 1nmm h LYS 93 Cb -0.03 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1nmm h LYS 93 CO -0.05 0.52 -0.19 0.87 -0.57 0.00 0.00 179.45 180.03 1nmm h LYS 94 N 0.74 0.95 -0.56 3.15 1.57 -0.87 -0.76 116.57 120.79 1nmm h LYS 94 Ca 0.19 -0.40 -0.03 0.00 -1.87 0.00 0.00 60.65 58.55 1nmm h LYS 94 Cb -0.02 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1nmm h LYS 94 CO -0.04 1.07 0.24 0.82 -0.57 0.00 0.00 179.45 180.98 1nmm h ILE 95 N 0.80 1.22 -0.72 1.86 2.04 0.05 0.15 117.51 122.91 1nmm h ILE 95 Ca 0.11 -0.65 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 1nmm h ILE 95 Cb 0.76 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 1nmm h ILE 95 CO 0.06 0.25 0.44 -0.07 0.00 0.00 0.00 178.15 178.84 1nmm h LEU 96 N 0.77 0.85 -0.47 1.44 3.38 -0.44 0.66 115.31 121.51 1nmm h LEU 96 Ca 0.19 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.94 1nmm h LEU 96 Cb 0.17 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1nmm h LEU 96 CO -0.02 0.66 -0.62 0.00 0.09 0.00 0.00 178.44 178.55 1nmm h ALA 97 N 1.23 0.65 0.00 1.53 0.00 -0.94 -2.68 119.26 119.05 1nmm h ALA 97 Ca 0.26 -0.55 -0.20 0.00 0.00 0.00 0.00 54.91 54.42 1nmm h ALA 97 Cb -0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1nmm h ALA 97 CO -0.05 0.71 -1.17 -0.89 0.00 0.00 0.00 179.25 177.85 1nmm n ILE 98 N -3.92 1.51 -0.12 0.00 5.41 0.02 -4.74 119.36 117.53 1nmm n ILE 98 Ca -0.04 0.01 -0.21 0.00 1.00 0.00 0.00 62.75 63.51 1nmm n ILE 98 Cb 0.64 -2.10 -0.12 0.00 -0.71 0.00 0.00 39.64 37.36 1nmm n ILE 98 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1nmm n LYS 99 N -4.46 0.64 0.00 0.38 4.81 0.21 -5.08 118.16 114.66 1nmm n LYS 99 Ca -0.28 0.19 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 1nmm n LYS 99 Cb 0.62 -1.53 0.00 0.00 0.02 0.00 0.00 35.03 34.13 1nmm n LYS 99 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nmm n GLY 100 N 2.01 1.68 0.32 3.14 0.00 0.33 -4.73 105.19 107.94 1nmm n GLY 100 Ca -0.46 -2.08 0.14 0.00 0.00 0.00 0.00 46.02 43.62 1nmm n GLY 100 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1nmm h ILE 101 N 0.00 0.78 0.00 -0.61 6.09 -1.86 -2.47 117.51 119.43 1nmm h ILE 101 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1nmm h ILE 101 Cb 0.00 0.87 0.00 0.00 0.47 0.00 0.00 36.82 38.16 1nmm h ILE 101 CO 0.00 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 175.55 1nmm n ASP 102 N -4.31 0.00 0.00 2.19 10.43 -1.26 -0.55 116.55 123.05 1nmm n ASP 102 Ca 0.02 -0.21 0.01 0.00 2.57 0.00 0.00 54.79 57.19 1nmm n ASP 102 Cb 0.32 -0.09 0.33 0.00 1.84 0.00 0.00 41.12 43.52 1nmm n ASP 102 CO 0.00 0.00 0.00 0.22 -1.07 0.00 0.00 177.20 176.35 1nmm h TYR 103 N 0.00 0.53 -2.88 1.24 3.20 -1.75 -3.35 116.97 113.96 1nmm h TYR 103 Ca 0.00 -0.04 -0.64 0.00 3.14 0.00 0.00 58.73 61.19 1nmm h TYR 103 Cb 0.03 -0.16 -0.15 0.00 1.54 0.00 0.00 36.73 37.99 1nmm h TYR 103 CO 0.00 0.48 0.45 -1.58 -1.64 0.00 0.00 178.16 175.87 1nmm s TRP 104 N -5.08 2.78 0.41 -3.82 0.51 0.28 -4.90 118.94 109.11 1nmm s TRP 104 Ca -0.08 -0.46 0.39 0.00 -2.12 0.00 0.00 56.10 53.83 1nmm s TRP 104 Cb 0.16 -4.12 2.04 0.00 -0.81 0.00 0.00 33.47 30.73 1nmm s TRP 104 CO 0.76 -1.47 2.18 0.87 -0.51 0.00 0.00 176.95 178.78 1nmm h LYS 105 N 9.40 0.00 0.00 4.98 1.57 -1.83 -2.26 116.57 128.43 1nmm h LYS 105 Ca -0.28 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.42 1nmm h LYS 105 Cb 1.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 1nmm h LYS 105 CO 1.13 0.00 -0.40 0.00 -0.57 0.00 0.00 179.45 179.61 1nmm h ALA 106 N 2.01 0.83 0.08 3.86 0.00 -1.91 -3.39 119.26 120.74 1nmm h ALA 106 Ca 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.55 1nmm h ALA 106 Cb 0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1nmm h ALA 106 CO 0.00 0.50 -0.31 -0.92 0.00 0.00 0.00 179.25 178.52 1nmm h TYR 107 N 0.00 -0.90 0.14 0.00 3.20 -1.74 -1.73 116.97 115.94 1nmm h TYR 107 Ca -0.00 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.90 1nmm h TYR 107 Cb 1.13 0.38 -0.03 0.00 1.54 0.00 0.00 36.73 39.75 1nmm h TYR 107 CO 0.00 -0.35 -0.23 -0.22 -1.64 0.00 0.00 178.16 175.72 1nmm h LYS 108 N -0.45 -0.42 -0.12 1.82 3.64 -1.79 0.59 116.57 119.84 1nmm h LYS 108 Ca -0.00 0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.25 1nmm h LYS 108 Cb 0.45 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1nmm h LYS 108 CO -0.16 -0.28 -0.57 -1.00 -2.27 0.00 0.00 179.45 175.16 1nmm h PRO 109 N -0.44 0.38 0.00 1.90 0.13 -1.78 -3.31 132.00 128.88 1nmm h PRO 109 Ca 0.02 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1nmm h PRO 109 Cb 0.45 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.61 1nmm h PRO 109 CO -0.11 0.84 -1.24 -0.12 -0.23 0.00 0.00 178.00 177.14 1nmm n MET 110 N -3.92 1.25 -1.22 0.86 1.56 -0.65 -4.63 117.12 110.37 1nmm n MET 110 Ca -0.03 -0.08 -0.03 0.00 -0.27 0.00 0.00 57.70 57.30 1nmm n MET 110 Cb 0.60 -1.27 0.13 0.00 2.15 0.00 0.00 33.22 34.83 1nmm n MET 110 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1nmm n SER 112 N -0.78 1.01 -3.57 0.00 7.64 -1.23 -4.87 113.62 111.81 1nmm n SER 112 Ca 0.23 -0.90 -0.10 0.00 1.01 0.00 0.00 58.87 59.11 1nmm n SER 112 Cb 0.83 0.78 -0.03 0.00 -1.01 0.00 0.00 64.21 64.78 1nmm n SER 112 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1nmm s GLU 113 N -2.94 1.82 -1.20 1.43 -1.05 -1.26 -4.97 118.70 110.54 1nmm s GLU 113 Ca 0.10 -1.36 -0.15 0.00 -0.15 0.00 0.00 54.97 53.41 1nmm s GLU 113 Cb 0.17 0.52 -0.01 0.00 -0.44 0.00 0.00 34.13 34.37 1nmm s GLU 113 CO 0.80 -0.80 0.72 1.63 0.95 0.00 0.00 175.26 178.56 1nmm n LYS 114 N -0.47 -1.93 0.09 -4.83 5.02 -1.26 -4.91 118.16 109.88 1nmm n LYS 114 Ca -0.03 0.47 0.03 0.00 -2.02 0.00 0.00 58.31 56.76 1nmm n LYS 114 Cb 0.61 -4.31 -0.02 0.00 -0.02 0.00 0.00 35.03 31.29 1nmm n LYS 114 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1nmm h LEU 115 N -1.87 0.00 -1.23 -0.35 3.38 -1.93 -3.37 115.31 109.93 1nmm h LEU 115 Ca -0.65 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.33 1nmm h LEU 115 Cb 1.36 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.07 1nmm h LEU 115 CO 0.51 0.42 0.53 -0.08 0.09 0.00 0.00 178.44 179.91 1nmm h GLU 116 N 0.00 1.01 -0.20 1.13 4.57 -1.97 -0.61 114.58 118.52 1nmm h GLU 116 Ca -0.07 -0.06 0.06 0.00 -1.18 0.00 0.00 59.36 58.10 1nmm h GLU 116 Cb 1.38 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 29.74 1nmm h GLU 116 CO 0.04 0.67 0.29 -0.56 -1.18 0.00 0.00 179.01 178.27 1nmm h GLN 117 N 1.04 0.00 -0.00 1.92 3.07 -1.98 -1.17 115.11 117.99 1nmm h GLN 117 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.04 1nmm h GLN 117 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.50 1nmm h GLN 117 CO -0.07 0.00 -0.11 0.91 0.09 0.00 0.00 178.83 179.65 1nmm n TRP 118 N -3.53 0.00 -2.00 0.06 7.02 -0.23 -4.90 117.44 113.84 1nmm n TRP 118 Ca 0.02 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.09 1nmm n TRP 118 Cb 0.41 -0.31 -0.02 0.00 -2.42 0.00 0.00 31.31 28.97 1nmm n TRP 118 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1nmm s ARG 119 N -2.73 4.27 -0.24 -0.99 3.52 -0.44 -4.78 118.95 117.55 1nmm s ARG 119 Ca 0.22 2.34 -0.07 0.00 -0.13 0.00 0.00 55.73 58.09 1nmm s ARG 119 Cb 0.19 -3.05 -0.02 0.00 -1.56 0.00 0.00 34.95 30.51 1nmm s ARG 119 CO 0.52 -0.34 0.04 0.00 -0.81 0.00 0.00 175.30 174.71 1nmm n GLU 121 N 4.88 0.05 -2.21 0.00 -0.58 -1.26 -4.90 120.64 116.63 1nmm n GLU 121 Ca -0.17 -0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.15 1nmm n GLU 121 Cb 0.51 -1.51 -0.03 0.00 -0.57 0.00 0.00 31.44 29.84 1nmm n GLU 121 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1nmm s LYS 122 N -3.04 4.23 0.00 3.49 2.20 -1.26 -5.26 119.74 120.10 1nmm s LYS 122 Ca 0.08 1.95 0.13 0.00 -0.36 0.00 0.00 55.97 57.77 1nmm s LYS 122 Cb 0.16 -3.78 0.79 0.00 -1.51 0.00 0.00 37.83 33.50 1nmm s LYS 122 CO 0.80 -0.71 1.22 -2.30 -0.36 0.00 0.00 175.35 173.99