#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nzd s LYS 15 N 0.00 3.48 0.75 0.00 1.02 -1.26 -5.08 119.74 118.64 2nzd s LYS 15 Ca 0.00 -0.19 -0.15 0.00 0.02 0.00 0.00 55.97 55.65 2nzd s LYS 15 Cb 0.00 -3.15 0.05 0.00 -0.52 0.00 0.00 37.83 34.21 2nzd s LYS 15 CO 0.00 0.69 1.24 0.25 -0.92 0.00 0.00 175.35 176.61 2nzd n THR 16 N 2.25 3.09 0.24 2.17 -2.24 -1.26 -4.84 114.28 113.69 2nzd n THR 16 Ca -0.19 -0.31 0.10 0.00 -2.27 0.00 0.00 64.05 61.37 2nzd n THR 16 Cb 0.54 -1.31 0.58 0.00 -2.10 0.00 0.00 70.33 68.05 2nzd n THR 16 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2nzd h ARG 17 N -0.40 0.00 0.53 -0.78 3.08 -1.99 -1.87 114.38 112.95 2nzd h ARG 17 Ca -0.48 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.55 2nzd h ARG 17 Cb 1.31 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.36 2nzd h ARG 17 CO 0.48 0.20 -0.31 0.77 -1.07 0.00 0.00 179.97 180.04 2nzd h SER 18 N 0.00 -0.78 -0.29 7.04 0.02 -1.87 -2.23 113.55 115.45 2nzd h SER 18 Ca -0.00 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 2nzd h SER 18 Cb 0.49 0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 2nzd h SER 18 CO 0.03 -0.50 0.05 0.77 -1.14 0.00 0.00 176.83 176.04 2nzd h SER 19 N -0.79 0.54 -0.79 3.07 4.64 -1.66 1.11 113.55 119.67 2nzd h SER 19 Ca -0.06 -0.09 0.13 0.00 -0.47 0.00 0.00 61.79 61.30 2nzd h SER 19 Cb 0.64 -0.14 -0.06 0.00 -0.31 0.00 0.00 62.40 62.53 2nzd h SER 19 CO 0.07 0.58 0.52 0.03 -0.87 0.00 0.00 176.83 177.16 2nzd h ARG 20 N 0.56 0.54 -0.01 4.77 3.08 -1.20 0.78 114.38 122.90 2nzd h ARG 20 Ca 0.12 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2nzd h ARG 20 Cb 0.29 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2nzd h ARG 20 CO 0.00 0.36 -0.65 0.00 -1.07 0.00 0.00 179.97 178.61 2nzd n ALA 21 N -2.48 3.97 -2.63 0.04 0.00 -0.66 -5.00 120.51 113.75 2nzd n ALA 21 Ca 0.15 -0.57 -0.09 0.00 0.00 0.00 0.00 53.44 52.93 2nzd n ALA 21 Cb 0.46 -0.86 0.05 0.00 0.00 0.00 0.00 19.45 19.10 2nzd n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nzd n GLY 22 N 1.45 -0.29 3.11 0.00 0.00 0.37 -5.04 105.19 104.78 2nzd n GLY 22 Ca 0.07 0.18 -0.14 0.00 0.00 0.00 0.00 46.02 46.13 2nzd n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nzd s LEU 23 N -4.50 2.31 -0.09 0.99 1.43 -0.15 -4.97 118.68 113.70 2nzd s LEU 23 Ca 0.23 -0.65 -0.00 0.00 -1.03 0.00 0.00 54.13 52.67 2nzd s LEU 23 Cb -0.03 -0.24 -0.25 0.00 0.03 0.00 0.00 46.19 45.70 2nzd s LEU 23 CO 0.45 -0.22 0.48 0.00 0.23 0.00 0.00 176.35 177.29 2nzd n GLN 24 N 1.14 0.72 -2.04 1.70 1.13 -1.26 -4.20 117.38 114.56 2nzd n GLN 24 Ca -0.20 0.28 -0.41 0.00 -1.94 0.00 0.00 57.00 54.72 2nzd n GLN 24 Cb 0.56 -1.74 -0.03 0.00 0.11 0.00 0.00 30.24 29.14 2nzd n GLN 24 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2nzd s PHE 25 N -2.57 3.08 -0.78 1.08 0.40 -1.26 -4.89 117.98 113.03 2nzd s PHE 25 Ca -0.16 1.00 -0.25 0.00 -0.60 0.00 0.00 56.93 56.91 2nzd s PHE 25 Cb 0.07 -3.79 -0.01 0.00 0.51 0.00 0.00 43.02 39.80 2nzd s PHE 25 CO 0.79 -2.62 1.76 -1.25 0.70 0.00 0.00 175.22 174.60 2nzd s PRO 26 N -0.05 2.79 0.13 0.24 0.04 -1.26 -4.81 135.00 132.09 2nzd s PRO 26 Ca 0.61 -0.02 -0.25 0.00 0.04 0.00 0.00 61.00 61.38 2nzd s PRO 26 Cb -0.41 -4.70 -0.03 0.00 0.04 0.00 0.00 34.50 29.40 2nzd s PRO 26 CO 0.40 -2.81 1.62 0.28 0.04 0.00 0.00 177.00 176.53 2nzd h VAL 27 N 6.89 0.35 -0.65 -0.36 2.07 -1.90 -1.59 116.25 121.05 2nzd h VAL 27 Ca -0.09 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.55 2nzd h VAL 27 Cb 1.08 0.35 -0.12 0.00 -1.52 0.00 0.00 31.29 31.07 2nzd h VAL 27 CO 1.25 0.00 -0.28 1.23 0.02 0.00 0.00 177.57 179.79 2nzd h GLY 28 N -0.38 0.14 0.73 2.17 0.00 -1.94 0.43 103.07 104.23 2nzd h GLY 28 Ca 0.09 0.36 0.04 0.00 0.00 0.00 0.00 47.33 47.82 2nzd h GLY 28 CO -0.30 -0.23 0.24 -0.09 0.00 0.00 0.00 176.54 176.15 2nzd h ARG 29 N -0.10 0.45 -0.23 4.80 9.65 -1.82 -1.86 114.38 125.28 2nzd h ARG 29 Ca 0.28 -0.03 -0.12 0.00 -1.10 0.00 0.00 59.98 59.02 2nzd h ARG 29 Cb 0.54 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.01 2nzd h ARG 29 CO -0.71 0.30 -0.35 0.28 2.80 0.00 0.00 179.97 182.29 2nzd h VAL 30 N 0.47 1.29 -0.86 0.20 2.07 -0.25 -1.78 116.25 117.39 2nzd h VAL 30 Ca 0.21 -1.46 -0.03 0.00 0.82 0.00 0.00 66.70 66.24 2nzd h VAL 30 Cb 0.13 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 2nzd h VAL 30 CO -0.15 0.46 0.43 -0.74 0.02 0.00 0.00 177.57 177.58 2nzd h HIS 31 N 0.41 1.24 -0.03 1.57 -0.00 -0.50 -2.35 115.15 115.49 2nzd h HIS 31 Ca 0.05 -0.06 -0.01 0.00 -0.00 0.00 0.00 60.37 60.35 2nzd h HIS 31 Cb 0.81 -0.39 -0.00 0.00 -0.00 0.00 0.00 27.41 27.83 2nzd h HIS 31 CO 0.03 0.88 -0.00 -0.09 -0.00 0.00 0.00 177.93 178.75 2nzd h ARG 32 N 1.23 0.05 0.00 5.26 2.43 -0.66 -2.88 114.38 119.81 2nzd h ARG 32 Ca 0.30 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 2nzd h ARG 32 Cb 0.10 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2nzd h ARG 32 CO -0.04 0.39 0.00 -0.07 -1.51 0.00 0.00 179.97 178.74 2nzd h LEU 33 N -0.29 0.00 -0.19 3.80 3.38 -1.29 -1.34 115.31 119.39 2nzd h LEU 33 Ca 0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 2nzd h LEU 33 Cb 0.37 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2nzd h LEU 33 CO 0.00 0.00 -0.86 -0.07 0.09 0.00 0.00 178.44 177.60 2nzd h LEU 34 N 0.00 0.00 0.05 1.67 3.38 -1.20 -2.69 115.31 116.53 2nzd h LEU 34 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2nzd h LEU 34 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2nzd h LEU 34 CO 0.00 0.86 -0.03 0.03 0.09 0.00 0.00 178.44 179.40 2nzd h ARG 35 N 0.00 -0.07 0.00 1.13 3.08 -1.29 -3.32 114.38 113.91 2nzd h ARG 35 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2nzd h ARG 35 Cb 1.57 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.64 2nzd h ARG 35 CO 0.11 0.52 0.00 1.57 -1.07 0.00 0.00 179.97 181.10 2nzd h LYS 36 N -0.91 0.00 -0.00 0.04 2.10 -1.37 -2.67 116.57 113.76 2nzd h LYS 36 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2nzd h LYS 36 Cb 0.62 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 2nzd h LYS 36 CO 0.01 0.00 -0.29 0.41 -2.00 0.00 0.00 179.45 177.58 2nzd n GLY 37 N -0.16 -1.35 2.90 0.07 0.00 -1.01 -4.97 105.19 100.67 2nzd n GLY 37 Ca 0.01 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 2nzd n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2nzd n ASN 38 N -1.49 -4.15 -0.08 1.61 4.13 -1.01 -4.98 115.26 109.29 2nzd n ASN 38 Ca 0.06 -0.53 -0.11 0.00 1.68 0.00 0.00 54.58 55.68 2nzd n ASN 38 Cb 0.34 -4.21 -0.15 0.00 -1.54 0.00 0.00 39.78 34.22 2nzd n ASN 38 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2nzd n TYR 39 N -3.13 0.26 -3.82 3.10 4.02 -1.25 -5.04 117.16 111.30 2nzd n TYR 39 Ca -0.13 0.08 -0.06 0.00 -0.01 0.00 0.00 57.90 57.79 2nzd n TYR 39 Cb 0.61 -1.04 -0.01 0.00 -0.02 0.00 0.00 39.34 38.88 2nzd n TYR 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2nzd s ALA 40 N -2.52 -1.35 0.11 -0.72 0.00 -1.26 -5.07 121.76 110.96 2nzd s ALA 40 Ca -0.13 -0.21 -0.16 0.00 0.00 0.00 0.00 51.96 51.47 2nzd s ALA 40 Cb 0.07 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 2nzd s ALA 40 CO 0.79 -1.04 1.55 0.93 0.00 0.00 0.00 175.76 178.00 2nzd h GLU 41 N 2.00 0.64 -6.58 0.00 4.39 -1.99 -3.43 114.58 109.61 2nzd h GLU 41 Ca -0.23 -0.21 -0.70 0.00 0.34 0.00 0.00 59.36 58.56 2nzd h GLU 41 Cb 1.24 -0.06 -0.29 0.00 -0.10 0.00 0.00 28.75 29.54 2nzd h GLU 41 CO 0.27 0.76 -0.88 1.03 -1.16 0.00 0.00 179.01 179.03 2nzd s ARG 42 N -4.98 2.14 -0.21 2.33 0.52 -1.26 -5.12 118.95 112.38 2nzd s ARG 42 Ca -0.13 -0.91 -0.04 0.00 -0.52 0.00 0.00 55.73 54.13 2nzd s ARG 42 Cb 0.09 -2.07 -0.02 0.00 0.52 0.00 0.00 34.95 33.48 2nzd s ARG 42 CO 0.78 0.57 -0.02 0.08 0.02 0.00 0.00 175.30 176.73 2nzd s VAL 43 N -0.62 3.61 0.51 3.52 1.01 -1.26 -5.10 120.40 122.06 2nzd s VAL 43 Ca 0.10 -0.42 -0.21 0.00 0.00 0.00 0.00 61.98 61.45 2nzd s VAL 43 Cb -0.10 -2.64 -0.06 0.00 0.00 0.00 0.00 36.38 33.57 2nzd s VAL 43 CO -0.01 0.42 1.16 -0.83 0.00 0.00 0.00 175.10 175.84 2nzd s GLY 44 N 1.32 2.71 0.34 4.51 0.00 -1.26 -4.94 107.32 110.00 2nzd s GLY 44 Ca 0.04 0.90 0.26 0.00 0.00 0.00 0.00 44.72 45.92 2nzd s GLY 44 CO -0.01 1.31 1.78 0.00 0.00 0.00 0.00 173.10 176.18 2nzd h ALA 45 N 1.59 1.00 0.00 3.20 0.00 -2.03 -2.11 119.26 120.90 2nzd h ALA 45 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2nzd h ALA 45 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2nzd h ALA 45 CO 0.58 0.00 -0.81 0.41 0.00 0.00 0.00 179.25 179.44 2nzd n GLY 46 N -0.31 -1.22 0.12 0.00 0.00 -1.26 -4.38 105.19 98.14 2nzd n GLY 46 Ca 0.01 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 2nzd n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nzd h ALA 47 N 2.74 0.19 0.00 4.61 0.00 -1.76 -2.45 119.26 122.59 2nzd h ALA 47 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2nzd h ALA 47 Cb 0.63 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2nzd h ALA 47 CO 0.00 0.03 0.00 -1.00 0.00 0.00 0.00 179.25 178.28 2nzd h PRO 48 N -0.07 0.00 0.06 0.00 0.13 -1.77 -0.97 132.00 129.39 2nzd h PRO 48 Ca 0.02 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2nzd h PRO 48 Cb 0.62 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.75 2nzd h PRO 48 CO 0.03 0.00 -0.03 0.28 -0.23 0.00 0.00 178.00 178.05 2nzd h VAL 49 N 0.00 1.26 -0.69 1.56 2.07 -1.74 0.47 116.25 119.19 2nzd h VAL 49 Ca 0.00 -1.42 0.01 0.00 0.82 0.00 0.00 66.70 66.11 2nzd h VAL 49 Cb 0.45 2.15 -0.04 0.00 -1.52 0.00 0.00 31.29 32.33 2nzd h VAL 49 CO 0.00 0.34 0.45 0.22 0.02 0.00 0.00 177.57 178.60 2nzd h TYR 50 N -0.75 0.85 -0.27 1.57 3.20 -1.34 -2.24 116.97 117.98 2nzd h TYR 50 Ca -0.01 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 2nzd h TYR 50 Cb 0.61 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 2nzd h TYR 50 CO 0.13 0.52 0.08 1.25 -1.64 0.00 0.00 178.16 178.50 2nzd h LEU 51 N 0.90 0.40 -1.88 2.82 5.85 -1.20 -1.26 115.31 120.94 2nzd h LEU 51 Ca 0.26 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2nzd h LEU 51 Cb -0.07 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 2nzd h LEU 51 CO -0.07 0.51 0.04 0.00 -0.34 0.00 0.00 178.44 178.57 2nzd h ALA 52 N 0.91 1.91 0.36 1.25 0.00 -0.73 -0.53 119.26 122.43 2nzd h ALA 52 Ca 0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2nzd h ALA 52 Cb 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2nzd h ALA 52 CO -0.00 0.08 -0.17 0.00 0.00 0.00 0.00 179.25 179.15 2nzd h ALA 53 N 1.93 -0.48 -0.70 0.00 0.00 -1.16 -2.14 119.26 116.71 2nzd h ALA 53 Ca 0.03 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 54.90 2nzd h ALA 53 Cb 0.02 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 17.90 2nzd h ALA 53 CO -0.00 -0.53 0.19 0.28 0.00 0.00 0.00 179.25 179.19 2nzd h VAL 54 N -0.97 0.58 -0.92 0.00 2.07 -0.91 0.28 116.25 116.38 2nzd h VAL 54 Ca -0.05 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.40 2nzd h VAL 54 Cb 0.52 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 2nzd h VAL 54 CO 0.08 0.06 0.61 -0.07 0.02 0.00 0.00 177.57 178.26 2nzd h LEU 55 N 0.30 1.01 -0.11 2.57 3.38 -1.12 -0.72 115.31 120.62 2nzd h LEU 55 Ca 0.38 -0.01 -0.24 0.00 0.09 0.00 0.00 57.88 58.10 2nzd h LEU 55 Cb 0.61 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.14 2nzd h LEU 55 CO -0.45 0.70 -0.87 -0.08 0.09 0.00 0.00 178.44 177.82 2nzd h GLU 56 N 1.17 0.75 0.32 1.13 4.81 -0.32 -2.06 114.58 120.39 2nzd h GLU 56 Ca 0.36 -0.68 -0.01 0.00 -0.13 0.00 0.00 59.36 58.91 2nzd h GLU 56 Cb -0.01 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2nzd h GLU 56 CO -0.11 1.28 -0.24 -0.92 -0.73 0.00 0.00 179.01 178.29 2nzd h TYR 57 N 0.49 -0.64 -0.69 0.92 3.20 -0.09 -1.35 116.97 118.81 2nzd h TYR 57 Ca -0.08 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.88 2nzd h TYR 57 Cb 1.51 0.24 -0.07 0.00 1.54 0.00 0.00 36.73 39.95 2nzd h TYR 57 CO 0.09 -0.37 0.32 -0.07 -1.64 0.00 0.00 178.16 176.49 2nzd h LEU 58 N -0.56 0.39 -0.67 2.82 3.38 -1.15 -0.42 115.31 119.11 2nzd h LEU 58 Ca -0.02 0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 2nzd h LEU 58 Cb 0.49 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2nzd h LEU 58 CO -0.00 0.22 -0.53 0.71 0.09 0.00 0.00 178.44 178.93 2nzd h THR 59 N 0.54 1.14 -0.37 0.22 1.35 -1.21 -2.41 112.91 112.18 2nzd h THR 59 Ca 0.34 -1.99 -0.09 0.00 -0.55 0.00 0.00 66.41 64.12 2nzd h THR 59 Cb 0.38 2.15 -0.01 0.00 -1.73 0.00 0.00 68.15 68.95 2nzd h THR 59 CO -0.28 0.52 -0.10 0.00 -0.25 0.00 0.00 175.52 175.41 2nzd h ALA 60 N 1.47 0.51 -0.34 6.62 0.00 -0.35 -0.83 119.26 126.35 2nzd h ALA 60 Ca -0.01 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 54.66 2nzd h ALA 60 Cb 1.11 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 2nzd h ALA 60 CO 0.07 0.38 -0.09 1.49 0.00 0.00 0.00 179.25 181.11 2nzd h GLU 61 N 0.53 -0.00 -0.22 0.00 4.57 -0.88 0.12 114.58 118.69 2nzd h GLU 61 Ca 0.09 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.12 2nzd h GLU 61 Cb 0.62 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 2nzd h GLU 61 CO 0.04 -0.00 -0.46 0.97 -1.18 0.00 0.00 179.01 178.38 2nzd h ILE 62 N -0.00 1.31 -0.17 2.32 2.10 -1.41 -2.79 117.51 118.88 2nzd h ILE 62 Ca 0.16 -1.68 -0.06 0.00 1.08 0.00 0.00 64.86 64.37 2nzd h ILE 62 Cb 0.25 1.82 -0.01 0.00 -1.09 0.00 0.00 36.82 37.79 2nzd h ILE 62 CO -0.35 0.53 -0.15 -0.07 -1.08 0.00 0.00 178.15 177.03 2nzd h LEU 63 N 0.40 0.26 0.28 2.19 3.38 -1.00 0.15 115.31 120.97 2nzd h LEU 63 Ca 0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2nzd h LEU 63 Cb 1.07 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2nzd h LEU 63 CO 0.10 0.43 -0.13 -0.08 0.09 0.00 0.00 178.44 178.85 2nzd h GLU 64 N 0.26 -0.36 -0.73 1.13 4.57 -0.71 -1.43 114.58 117.29 2nzd h GLU 64 Ca 0.05 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 2nzd h GLU 64 Cb 0.42 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.06 2nzd h GLU 64 CO 0.03 -0.15 0.42 -0.07 -1.18 0.00 0.00 179.01 178.06 2nzd h LEU 65 N -0.51 0.90 -0.50 1.64 3.38 -1.22 -2.63 115.31 116.38 2nzd h LEU 65 Ca -0.04 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 2nzd h LEU 65 Cb 0.38 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2nzd h LEU 65 CO 0.06 0.72 -0.18 0.00 0.09 0.00 0.00 178.44 179.13 2nzd h ALA 66 N 1.22 0.69 -0.86 1.53 0.00 -0.65 -1.93 119.26 119.26 2nzd h ALA 66 Ca 0.26 -0.38 0.16 0.00 0.00 0.00 0.00 54.91 54.95 2nzd h ALA 66 Cb 0.00 -0.17 -0.10 0.00 0.00 0.00 0.00 17.79 17.52 2nzd h ALA 66 CO -0.05 0.66 0.43 0.78 0.00 0.00 0.00 179.25 181.07 2nzd h GLY 67 N 0.86 1.41 0.89 0.00 0.00 -1.13 -1.16 103.07 103.93 2nzd h GLY 67 Ca 0.12 -0.23 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 2nzd h GLY 67 CO 0.06 -0.09 -0.07 3.43 0.00 0.00 0.00 176.54 179.87 2nzd h ASN 68 N 0.57 0.57 -0.99 0.19 2.35 -1.00 -1.37 115.58 115.90 2nzd h ASN 68 Ca 0.48 -0.36 0.08 0.00 -0.55 0.00 0.00 56.30 55.95 2nzd h ASN 68 Cb 0.75 -0.16 -0.07 0.00 0.05 0.00 0.00 38.32 38.89 2nzd h ASN 68 CO -0.40 0.80 0.64 0.00 -1.65 0.00 0.00 177.43 176.82 2nzd h ALA 69 N 0.79 1.40 -0.15 -0.83 0.00 -1.04 0.14 119.26 119.56 2nzd h ALA 69 Ca 0.08 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2nzd h ALA 69 Cb 0.55 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2nzd h ALA 69 CO 0.03 0.39 -0.36 0.00 0.00 0.00 0.00 179.25 179.31 2nzd h ALA 70 N 1.47 1.10 -0.11 0.00 0.00 -0.87 -2.60 119.26 118.25 2nzd h ALA 70 Ca 0.44 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 2nzd h ALA 70 Cb 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2nzd h ALA 70 CO -0.19 0.57 -0.42 -0.09 0.00 0.00 0.00 179.25 179.12 2nzd h ARG 71 N 0.28 0.48 0.00 0.00 2.43 -0.42 0.14 114.38 117.28 2nzd h ARG 71 Ca 0.03 -0.37 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 2nzd h ARG 71 Cb 0.77 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 2nzd h ARG 71 CO 0.06 1.00 0.02 -0.25 -1.51 0.00 0.00 179.97 179.28 2nzd n ASP 72 N -4.30 0.00 -0.11 -3.80 8.00 0.40 -0.39 116.55 116.35 2nzd n ASP 72 Ca -0.08 0.39 0.05 0.00 0.71 0.00 0.00 54.79 55.87 2nzd n ASP 72 Cb 0.55 -0.39 0.09 0.00 -0.02 0.00 0.00 41.12 41.35 2nzd n ASP 72 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2nzd n ASN 73 N -1.39 2.30 -2.47 -2.24 3.02 -1.00 -4.99 115.26 108.50 2nzd n ASN 73 Ca 0.00 -2.55 -0.16 0.00 -0.03 0.00 0.00 54.58 51.83 2nzd n ASN 73 Cb 0.02 -0.24 -0.01 0.00 -0.61 0.00 0.00 39.78 38.94 2nzd n ASN 73 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2nzd n LYS 74 N -0.88 -2.13 -4.12 3.52 5.02 0.48 -4.95 118.16 115.10 2nzd n LYS 74 Ca 0.09 0.77 -0.29 0.00 -2.02 0.00 0.00 58.31 56.86 2nzd n LYS 74 Cb 0.47 -5.41 -0.07 0.00 -0.02 0.00 0.00 35.03 29.99 2nzd n LYS 74 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2nzd s LYS 75 N -5.08 2.61 -0.04 1.97 -0.14 0.02 -5.03 119.74 114.05 2nzd s LYS 75 Ca 0.02 -0.85 0.21 0.00 -1.36 0.00 0.00 55.97 53.99 2nzd s LYS 75 Cb -0.01 -2.56 -0.32 0.00 -1.68 0.00 0.00 37.83 33.26 2nzd s LYS 75 CO 0.02 0.53 0.44 2.41 -0.76 0.00 0.00 175.35 177.99 2nzd n THR 76 N 0.38 0.08 -4.35 2.17 -1.04 -1.26 -3.98 114.28 106.27 2nzd n THR 76 Ca -0.10 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 61.07 2nzd n THR 76 Cb 0.52 -0.01 -0.11 0.00 -1.82 0.00 0.00 70.33 68.91 2nzd n THR 76 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2nzd s ARG 77 N -3.41 3.60 -0.03 -2.82 3.52 -1.26 -5.07 118.95 113.48 2nzd s ARG 77 Ca -0.08 -0.48 -0.30 0.00 -0.13 0.00 0.00 55.73 54.74 2nzd s ARG 77 Cb 0.13 -2.93 -0.05 0.00 -1.56 0.00 0.00 34.95 30.54 2nzd s ARG 77 CO 0.88 0.32 1.46 0.42 -0.81 0.00 0.00 175.30 177.56 2nzd s ILE 78 N 0.17 3.73 0.41 4.11 1.01 -1.26 -4.95 121.20 124.41 2nzd s ILE 78 Ca -0.01 1.03 0.07 0.00 0.00 0.00 0.00 60.65 61.75 2nzd s ILE 78 Cb -0.13 -3.66 -0.07 0.00 0.01 0.00 0.00 42.46 38.60 2nzd s ILE 78 CO 0.02 -0.04 0.08 0.27 0.00 0.00 0.00 174.94 175.28 2nzd s ILE 79 N 2.97 2.17 0.48 2.92 -4.36 -1.26 -5.01 121.20 119.10 2nzd s ILE 79 Ca 0.65 -1.87 0.23 0.00 -0.26 0.00 0.00 60.65 59.41 2nzd s ILE 79 Cb -0.31 -2.98 0.42 0.00 1.25 0.00 0.00 42.46 40.83 2nzd s ILE 79 CO 0.26 -0.01 1.89 -0.65 0.24 0.00 0.00 174.94 176.67 2nzd h PRO 80 N 1.63 0.20 -0.76 0.37 0.11 -1.88 0.11 132.00 131.78 2nzd h PRO 80 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2nzd h PRO 80 Cb 1.25 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 2nzd h PRO 80 CO 0.75 0.13 0.47 -0.09 -0.21 0.00 0.00 178.00 179.06 2nzd h ARG 81 N 0.21 1.01 0.00 1.05 9.65 -1.81 -1.01 114.38 123.48 2nzd h ARG 81 Ca 0.42 -0.08 -0.08 0.00 -1.10 0.00 0.00 59.98 59.14 2nzd h ARG 81 Cb 1.31 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 29.66 2nzd h ARG 81 CO -0.09 0.69 -0.37 0.45 2.80 0.00 0.00 179.97 183.46 2nzd h HIS 82 N 1.03 0.00 -0.07 2.20 -0.00 -1.13 -1.02 115.15 116.16 2nzd h HIS 82 Ca 0.27 0.00 -0.23 0.00 -0.00 0.00 0.00 60.37 60.41 2nzd h HIS 82 Cb -0.07 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 27.35 2nzd h HIS 82 CO 0.00 0.37 -0.87 -0.07 -0.00 0.00 0.00 177.93 177.36 2nzd h LEU 83 N 0.00 0.79 -0.15 2.43 3.38 -1.23 -1.79 115.31 118.73 2nzd h LEU 83 Ca -0.00 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.38 2nzd h LEU 83 Cb 0.91 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2nzd h LEU 83 CO 0.05 1.36 0.04 -0.61 0.09 0.00 0.00 178.44 179.37 2nzd h GLN 84 N 0.41 0.24 -0.90 1.13 5.75 -0.73 0.10 115.11 121.11 2nzd h GLN 84 Ca -0.07 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.37 2nzd h GLN 84 Cb 1.50 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 29.97 2nzd h GLN 84 CO 0.17 0.38 0.56 -0.07 -2.65 0.00 0.00 178.83 177.22 2nzd h LEU 85 N 0.06 1.07 -0.37 -2.39 3.38 -1.25 -0.49 115.31 115.32 2nzd h LEU 85 Ca 0.05 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2nzd h LEU 85 Cb 0.24 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2nzd h LEU 85 CO -0.00 0.80 0.23 0.00 0.09 0.00 0.00 178.44 179.56 2nzd h ALA 86 N 1.31 0.46 -0.16 1.53 0.00 -0.75 -2.00 119.26 119.66 2nzd h ALA 86 Ca 0.33 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.99 2nzd h ALA 86 Cb -0.08 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.56 2nzd h ALA 86 CO -0.06 -0.05 -0.73 0.28 0.00 0.00 0.00 179.25 178.68 2nzd h VAL 87 N 0.49 1.30 0.00 0.00 2.07 -0.64 -3.19 116.25 116.28 2nzd h VAL 87 Ca 0.13 -1.97 -0.06 0.00 0.82 0.00 0.00 66.70 65.62 2nzd h VAL 87 Cb -0.02 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 2nzd h VAL 87 CO -0.03 0.62 -0.72 0.03 0.02 0.00 0.00 177.57 177.49 2nzd h ARG 88 N 0.50 0.00 -0.00 1.57 2.47 -1.02 -2.07 114.38 115.82 2nzd h ARG 88 Ca -0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 2nzd h ARG 88 Cb 1.34 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.66 2nzd h ARG 88 CO 0.15 0.17 -0.19 0.09 0.56 0.00 0.00 179.97 180.74 2nzd n ASN 89 N -2.95 0.27 -4.33 7.04 3.02 -0.76 -4.72 115.26 112.84 2nzd n ASN 89 Ca -0.01 -0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.16 2nzd n ASN 89 Cb 0.65 -0.15 -0.12 0.00 -0.61 0.00 0.00 39.78 39.54 2nzd n ASN 89 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2nzd s ASP 90 N -2.87 5.22 0.41 6.41 2.15 -1.17 -5.00 116.67 121.82 2nzd s ASP 90 Ca 0.17 -0.82 0.24 0.00 0.43 0.00 0.00 52.55 52.56 2nzd s ASP 90 Cb 0.19 -1.89 1.27 0.00 -0.30 0.00 0.00 42.92 42.18 2nzd s ASP 90 CO 0.57 -0.24 1.68 -0.33 -0.17 0.00 0.00 175.17 176.69 2nzd h GLU 91 N 8.25 0.21 0.09 4.34 5.08 -1.84 -1.03 114.58 129.67 2nzd h GLU 91 Ca -0.29 -0.01 -0.36 0.00 -1.00 0.00 0.00 59.36 57.70 2nzd h GLU 91 Cb 1.12 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 2nzd h GLU 91 CO 0.61 0.14 -2.01 0.39 -1.00 0.00 0.00 179.01 177.14 2nzd n GLU 92 N -4.73 0.72 -0.13 2.33 1.02 -1.26 -2.87 120.64 115.72 2nzd n GLU 92 Ca 0.32 0.28 -0.08 0.00 -0.02 0.00 0.00 57.16 57.66 2nzd n GLU 92 Cb 1.18 -1.68 -0.00 0.00 -0.02 0.00 0.00 31.44 30.92 2nzd n GLU 92 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2nzd h LEU 93 N -0.10 0.46 -0.70 -4.62 3.38 -1.79 -0.00 115.31 111.95 2nzd h LEU 93 Ca -0.45 -0.03 0.14 0.00 0.09 0.00 0.00 57.88 57.63 2nzd h LEU 93 Cb 1.92 -0.12 -0.13 0.00 0.09 0.00 0.00 40.66 42.42 2nzd h LEU 93 CO 0.01 0.36 -0.17 -1.13 0.09 0.00 0.00 178.44 177.60 2nzd h ASN 94 N 0.53 -0.64 -0.31 -0.43 -1.24 -0.45 0.13 115.58 113.17 2nzd h ASN 94 Ca 0.14 0.21 -0.12 0.00 0.71 0.00 0.00 56.30 57.24 2nzd h ASN 94 Cb -0.03 0.43 -0.01 0.00 0.73 0.00 0.00 38.32 39.45 2nzd h ASN 94 CO -0.03 -0.23 -0.28 0.50 -1.29 0.00 0.00 177.43 176.10 2nzd h LYS 95 N 0.00 0.73 -0.25 6.67 3.64 -1.36 -0.48 116.57 125.53 2nzd h LYS 95 Ca 0.34 -0.38 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2nzd h LYS 95 Cb 0.52 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2nzd h LYS 95 CO -0.72 1.00 0.16 1.25 -2.27 0.00 0.00 179.45 178.87 2nzd h LEU 96 N 0.49 0.26 -3.87 5.20 5.85 -0.02 -0.88 115.31 122.34 2nzd h LEU 96 Ca 0.05 -0.01 -0.58 0.00 0.84 0.00 0.00 57.88 58.18 2nzd h LEU 96 Cb 0.85 -0.06 -0.40 0.00 0.37 0.00 0.00 40.66 41.42 2nzd h LEU 96 CO 0.07 0.18 -0.44 0.18 -0.34 0.00 0.00 178.44 178.09 2nzd n LEU 97 N -4.50 5.52 0.23 2.25 4.77 0.35 -4.75 117.00 120.86 2nzd n LEU 97 Ca 0.01 -4.69 0.09 0.00 -0.03 0.00 0.00 56.01 51.39 2nzd n LEU 97 Cb 0.10 -0.49 0.52 0.00 -2.33 0.00 0.00 43.42 41.22 2nzd n LEU 97 CO 0.35 1.98 0.83 1.23 -1.33 0.00 0.00 177.39 180.45 2nzd h GLY 98 N 2.18 0.00 -2.18 -0.72 0.00 0.41 -2.93 103.07 99.83 2nzd h GLY 98 Ca 0.42 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.52 2nzd h GLY 98 CO 0.94 0.00 -0.41 0.54 0.00 0.00 0.00 176.54 177.62 2nzd n ARG 99 N -3.58 2.25 -5.03 4.80 1.74 -1.26 -5.00 116.66 110.59 2nzd n ARG 99 Ca -0.01 -3.51 -0.29 0.00 -0.77 0.00 0.00 57.85 53.27 2nzd n ARG 99 Cb 0.37 -1.88 -0.16 0.00 -1.02 0.00 0.00 32.46 29.77 2nzd n ARG 99 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2nzd s VAL 100 N -3.69 1.72 -0.18 1.55 1.01 -1.11 -5.12 120.40 114.58 2nzd s VAL 100 Ca 0.45 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 61.46 2nzd s VAL 100 Cb 0.40 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 2nzd s VAL 100 CO -0.02 0.49 0.13 -0.89 0.00 0.00 0.00 175.10 174.81 2nzd s THR 101 N 0.02 5.41 -0.40 3.92 2.01 -1.26 -5.04 115.64 120.30 2nzd s THR 101 Ca -0.06 0.18 -0.15 0.00 0.31 0.00 0.00 61.69 61.98 2nzd s THR 101 Cb -0.13 -3.44 0.01 0.00 0.01 0.00 0.00 72.50 68.95 2nzd s THR 101 CO 0.04 0.48 0.29 -0.63 -0.69 0.00 0.00 174.62 174.11 2nzd s ILE 102 N 0.02 5.26 0.12 1.82 1.01 -1.26 -5.05 121.20 123.12 2nzd s ILE 102 Ca 0.10 -0.57 -0.35 0.00 0.00 0.00 0.00 60.65 59.82 2nzd s ILE 102 Cb -0.11 -3.90 -0.16 0.00 0.01 0.00 0.00 42.46 38.30 2nzd s ILE 102 CO -0.00 -0.26 1.40 0.00 0.00 0.00 0.00 174.94 176.08 2nzd n ALA 103 N 5.17 -0.16 -2.07 9.38 0.00 -1.26 -2.18 120.51 129.39 2nzd n ALA 103 Ca -0.11 0.49 -0.16 0.00 0.00 0.00 0.00 53.44 53.66 2nzd n ALA 103 Cb 0.47 -2.16 -0.02 0.00 0.00 0.00 0.00 19.45 17.74 2nzd n ALA 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2nzd n GLN 104 N 2.72 -1.22 0.04 0.00 1.13 -1.26 -4.83 117.38 113.95 2nzd n GLN 104 Ca 0.17 0.85 0.11 0.00 -1.94 0.00 0.00 57.00 56.20 2nzd n GLN 104 Cb 0.23 -5.18 -0.02 0.00 0.11 0.00 0.00 30.24 25.39 2nzd n GLN 104 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2nzd n GLY 105 N -1.02 -1.22 7.00 1.08 0.00 -0.93 -3.30 105.19 106.80 2nzd n GLY 105 Ca -0.18 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2nzd n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nzd n GLY 106 N 1.31 0.99 3.49 -0.02 0.00 -1.26 -4.62 105.19 105.08 2nzd n GLY 106 Ca 0.01 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 45.07 2nzd n GLY 106 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2nzd s VAL 107 N 0.00 1.11 0.05 1.61 -7.23 -1.26 -5.03 120.40 109.66 2nzd s VAL 107 Ca 0.00 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.87 2nzd s VAL 107 Cb 0.00 -2.69 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 2nzd s VAL 107 CO 0.00 0.00 0.96 -0.76 -0.31 0.00 0.00 175.10 174.99 2nzd s LEU 108 N -3.54 4.43 -0.21 1.32 1.43 -1.26 -4.98 118.68 115.86 2nzd s LEU 108 Ca 0.32 1.71 -0.36 0.00 -1.03 0.00 0.00 54.13 54.77 2nzd s LEU 108 Cb 0.07 -3.56 -0.12 0.00 0.03 0.00 0.00 46.19 42.61 2nzd s LEU 108 CO 0.15 -0.17 1.94 -2.65 0.23 0.00 0.00 176.35 175.85 2nzd n PRO 109 N 3.38 1.62 -3.57 1.29 -0.02 -1.26 -4.92 135.00 131.52 2nzd n PRO 109 Ca 0.04 0.56 -0.05 0.00 -2.02 0.00 0.00 63.50 62.03 2nzd n PRO 109 Cb 0.50 -2.48 -0.07 0.00 -0.02 0.00 0.00 33.50 31.43 2nzd n PRO 109 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2nzd s ASN 110 N 4.91 -0.53 -0.20 2.55 2.47 -1.26 -5.15 114.94 117.73 2nzd s ASN 110 Ca 0.99 1.05 -0.02 0.00 0.42 0.00 0.00 52.86 55.30 2nzd s ASN 110 Cb -0.82 1.65 0.00 0.00 -1.45 0.00 0.00 41.25 40.63 2nzd s ASN 110 CO 0.54 -0.24 -0.11 -0.63 -3.72 0.00 0.00 177.10 172.95 2nzd s ILE 111 N 2.70 2.86 0.42 -5.21 1.01 -1.26 -5.11 121.20 116.61 2nzd s ILE 111 Ca 0.01 -0.67 -0.25 0.00 0.00 0.00 0.00 60.65 59.74 2nzd s ILE 111 Cb -0.13 -2.26 -0.10 0.00 0.01 0.00 0.00 42.46 39.98 2nzd s ILE 111 CO -0.16 0.47 1.20 0.00 0.00 0.00 0.00 174.94 176.46 2nzd n GLN 112 N 4.63 1.75 -0.17 2.79 1.13 -1.26 -4.91 117.38 121.34 2nzd n GLN 112 Ca -0.19 0.62 -0.08 0.00 -1.94 0.00 0.00 57.00 55.42 2nzd n GLN 112 Cb 0.51 -2.29 -0.02 0.00 0.11 0.00 0.00 30.24 28.55 2nzd n GLN 112 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 2nzd h SER 113 N 1.90 -1.30 0.23 1.08 0.02 -1.99 -2.40 113.55 111.10 2nzd h SER 113 Ca -0.47 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2nzd h SER 113 Cb 1.31 0.60 0.00 0.00 0.14 0.00 0.00 62.40 64.45 2nzd h SER 113 CO 0.59 -0.33 0.00 1.33 -1.14 0.00 0.00 176.83 177.28 2nzd n VAL 114 N -5.42 1.44 0.41 2.27 0.24 -1.26 -1.53 118.33 114.49 2nzd n VAL 114 Ca 0.02 0.42 0.12 0.00 -2.04 0.00 0.00 64.34 62.86 2nzd n VAL 114 Cb 0.35 -1.33 0.20 0.00 -1.47 0.00 0.00 33.84 31.58 2nzd n VAL 114 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2nzd h LEU 115 N 0.00 0.00 -9.96 1.34 3.38 -1.79 -3.46 115.31 104.81 2nzd h LEU 115 Ca 0.00 -0.07 -0.47 0.00 0.09 0.00 0.00 57.88 57.43 2nzd h LEU 115 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2nzd h LEU 115 CO 0.00 0.03 0.38 -0.76 0.09 0.00 0.00 178.44 178.19 2nzd s LEU 116 N -4.98 4.14 1.27 1.67 1.43 -0.58 -5.06 118.68 116.57 2nzd s LEU 116 Ca 0.06 1.93 -0.21 0.00 -1.03 0.00 0.00 54.13 54.88 2nzd s LEU 116 Cb 0.10 -4.22 0.32 0.00 0.03 0.00 0.00 46.19 42.42 2nzd s LEU 116 CO 0.69 -0.39 1.10 -2.16 0.23 0.00 0.00 176.35 175.82 2nzd s PRO 117 N -2.53 -1.79 3.35 1.29 0.04 -1.26 -4.88 135.00 129.22 2nzd s PRO 117 Ca 0.57 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.42 2nzd s PRO 117 Cb -0.19 -1.54 0.00 0.00 0.04 0.00 0.00 34.50 32.81 2nzd s PRO 117 CO 0.24 -4.06 0.00 1.63 0.04 0.00 0.00 177.00 174.85 2nzd n LYS 118 N -4.98 0.00 0.00 4.56 5.02 -1.26 -5.15 118.16 116.35 2nzd n LYS 118 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 2nzd n LYS 118 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.61 2nzd n LYS 118 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24