#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pzh s MET 1 N 0.00 4.39 -0.07 -0.41 1.75 -1.17 -4.85 119.30 118.94 2pzh s MET 1 Ca 0.00 1.88 0.03 0.00 -1.25 0.00 0.00 55.69 56.35 2pzh s MET 1 Cb 0.00 -2.98 -0.02 0.00 2.84 0.00 0.00 34.83 34.67 2pzh s MET 1 CO 0.00 -0.04 -0.15 1.03 -0.65 0.00 0.00 175.02 175.20 2pzh s ARG 2 N -1.83 2.75 -0.02 4.11 0.52 -1.26 -0.68 118.95 122.55 2pzh s ARG 2 Ca 0.50 -0.72 0.05 0.00 -0.52 0.00 0.00 55.73 55.03 2pzh s ARG 2 Cb -0.33 -2.42 -0.01 0.00 0.52 0.00 0.00 34.95 32.72 2pzh s ARG 2 CO 0.42 0.48 -0.15 0.00 0.02 0.00 0.00 175.30 176.07 2pzh s ARG 4 N -0.29 4.05 -0.39 0.00 6.06 -1.26 -0.02 118.95 127.10 2pzh s ARG 4 Ca 0.05 0.59 -0.25 0.00 -2.50 0.00 0.00 55.73 53.62 2pzh s ARG 4 Cb -0.07 -2.96 0.02 0.00 0.06 0.00 0.00 34.95 32.00 2pzh s ARG 4 CO -0.00 0.48 0.86 0.08 -2.50 0.00 0.00 175.30 174.22 2pzh s VAL 5 N -1.43 4.63 0.43 7.11 1.01 -0.18 -4.97 120.40 126.99 2pzh s VAL 5 Ca 0.38 0.94 0.08 0.00 0.00 0.00 0.00 61.98 63.38 2pzh s VAL 5 Cb -0.16 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 31.91 2pzh s VAL 5 CO 0.19 -0.56 0.46 -0.31 0.00 0.00 0.00 175.10 174.88 2pzh s TYR 6 N 3.37 2.68 0.37 5.22 2.02 -1.26 -0.25 117.35 129.49 2pzh s TYR 6 Ca 0.35 -0.48 0.06 0.00 -0.37 0.00 0.00 57.07 56.64 2pzh s TYR 6 Cb -0.12 -2.24 0.77 0.00 -0.40 0.00 0.00 41.96 39.96 2pzh s TYR 6 CO 0.20 -0.27 1.96 1.88 -1.57 0.00 0.00 175.55 177.75 2pzh h TYR 7 N 0.86 0.74 -0.05 2.71 -1.99 -1.96 0.12 116.97 117.39 2pzh h TYR 7 Ca -0.40 0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.36 2pzh h TYR 7 Cb 1.27 -0.24 -0.00 0.00 2.00 0.00 0.00 36.73 39.76 2pzh h TYR 7 CO 0.48 0.39 0.09 1.05 -0.00 0.00 0.00 178.16 180.17 2pzh h GLU 8 N 0.73 0.00 0.00 4.88 4.11 -2.01 -1.89 114.58 120.39 2pzh h GLU 8 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.74 2pzh h GLU 8 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2pzh h GLU 8 CO -0.10 0.00 -1.01 -0.25 0.07 0.00 0.00 179.01 177.72 2pzh n ASP 9 N -3.50 0.74 -4.93 3.06 8.00 0.42 -4.95 116.55 115.39 2pzh n ASP 9 Ca -0.02 0.21 -0.25 0.00 0.71 0.00 0.00 54.79 55.44 2pzh n ASP 9 Cb 0.18 0.54 -0.01 0.00 -0.02 0.00 0.00 41.12 41.81 2pzh n ASP 9 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2pzh s THR 10 N -3.32 4.98 0.27 -3.53 -4.23 -0.71 -1.14 115.64 107.96 2pzh s THR 10 Ca 0.01 -0.21 0.01 0.00 -1.18 0.00 0.00 61.69 60.31 2pzh s THR 10 Cb 0.11 -3.85 0.01 0.00 1.34 0.00 0.00 72.50 70.11 2pzh s THR 10 CO 0.79 -0.66 0.05 -0.90 -0.54 0.00 0.00 174.62 173.35 2pzh n ASP 11 N -1.98 2.55 0.31 3.99 5.68 0.03 -4.62 116.55 122.50 2pzh n ASP 11 Ca -0.02 -2.12 0.21 0.00 -0.50 0.00 0.00 54.79 52.35 2pzh n ASP 11 Cb 0.56 0.14 1.01 0.00 -1.14 0.00 0.00 41.12 41.69 2pzh n ASP 11 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2pzh h SER 12 N 0.57 0.00 0.19 -1.12 4.64 -2.00 0.11 113.55 115.94 2pzh h SER 12 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 2pzh h SER 12 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2pzh h SER 12 CO 0.35 0.00 -0.05 -0.62 -0.87 0.00 0.00 176.83 175.63 2pzh n GLU 13 N -3.07 0.98 -0.80 4.77 -0.58 -1.26 -4.92 120.64 115.76 2pzh n GLU 13 Ca -0.02 -0.32 0.00 0.00 -0.42 0.00 0.00 57.16 56.40 2pzh n GLU 13 Cb 0.16 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 2pzh n GLU 13 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2pzh n GLY 14 N 1.18 0.56 3.58 0.62 0.00 0.40 -5.05 105.19 106.48 2pzh n GLY 14 Ca 0.18 -0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 2pzh n GLY 14 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pzh s VAL 15 N -2.00 1.78 0.09 1.61 -7.23 -1.26 -4.36 120.40 109.04 2pzh s VAL 15 Ca 0.00 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.86 2pzh s VAL 15 Cb 0.00 -2.93 -0.09 0.00 0.56 0.00 0.00 36.38 33.92 2pzh s VAL 15 CO 0.00 0.00 1.62 -0.69 -0.31 0.00 0.00 175.10 175.72 2pzh s VAL 16 N -2.86 2.95 0.22 1.32 1.01 -0.36 -0.79 120.40 121.89 2pzh s VAL 16 Ca 0.35 0.49 -0.32 0.00 0.00 0.00 0.00 61.98 62.50 2pzh s VAL 16 Cb 0.10 -3.32 -0.13 0.00 0.00 0.00 0.00 36.38 33.03 2pzh s VAL 16 CO 0.17 0.01 1.52 0.00 0.00 0.00 0.00 175.10 176.80 2pzh n TYR 17 N 5.15 2.36 -0.36 5.22 9.36 -0.29 -4.83 117.16 133.78 2pzh n TYR 17 Ca 0.15 0.32 0.10 0.00 3.32 0.00 0.00 57.90 61.80 2pzh n TYR 17 Cb 0.40 -2.53 0.29 0.00 -0.63 0.00 0.00 39.34 36.87 2pzh n TYR 17 CO 0.00 0.00 0.00 1.12 0.22 0.00 0.00 176.86 178.20 2pzh h HIS 18 N 5.05 1.11 0.00 2.98 2.07 -1.92 -0.24 115.15 124.21 2pzh h HIS 18 Ca -0.45 0.03 -0.00 0.00 -2.85 0.00 0.00 60.37 57.10 2pzh h HIS 18 Cb 1.25 -0.34 -0.00 0.00 2.57 0.00 0.00 27.41 30.89 2pzh h HIS 18 CO 0.59 0.33 -0.00 0.00 -3.07 0.00 0.00 177.93 175.78 2pzh h ALA 19 N 1.60 1.00 0.00 6.11 0.00 -1.98 -3.08 119.26 122.91 2pzh h ALA 19 Ca 0.55 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.43 2pzh h ALA 19 Cb 0.72 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2pzh h ALA 19 CO -0.33 0.00 -0.12 -0.91 0.00 0.00 0.00 179.25 177.89 2pzh h ASN 20 N 0.00 0.00 -0.07 0.00 -0.26 -1.39 -2.25 115.58 111.61 2pzh h ASN 20 Ca -0.00 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.66 2pzh h ASN 20 Cb 0.44 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.68 2pzh h ASN 20 CO 0.00 0.12 -0.17 1.88 -1.06 0.00 0.00 177.43 178.19 2pzh h TYR 21 N 0.00 0.47 -0.49 1.19 0.05 -1.70 -1.09 116.97 115.40 2pzh h TYR 21 Ca -0.00 -0.08 -0.04 0.00 0.05 0.00 0.00 58.73 58.66 2pzh h TYR 21 Cb 0.46 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.05 2pzh h TYR 21 CO 0.00 0.59 0.13 -0.07 -1.05 0.00 0.00 178.16 177.76 2pzh h LEU 22 N 0.40 0.68 -0.26 3.88 3.38 -1.61 -1.87 115.31 119.90 2pzh h LEU 22 Ca 0.07 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2pzh h LEU 22 Cb 0.54 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2pzh h LEU 22 CO 0.03 0.66 0.07 0.11 0.09 0.00 0.00 178.44 179.41 2pzh h LYS 23 N 0.72 0.42 -0.54 1.13 1.57 -1.25 -1.06 116.57 117.56 2pzh h LYS 23 Ca 0.16 -0.10 0.07 0.00 -1.87 0.00 0.00 60.65 58.91 2pzh h LYS 23 Cb 0.24 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.44 2pzh h LYS 23 CO -0.01 0.50 0.23 1.88 -0.57 0.00 0.00 179.45 181.48 2pzh h TYR 24 N 0.26 0.41 -0.49 -1.35 0.05 -1.16 -0.64 116.97 114.05 2pzh h TYR 24 Ca 0.08 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.85 2pzh h TYR 24 Cb 0.26 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 37.87 2pzh h TYR 24 CO 0.01 0.16 0.14 0.00 -1.05 0.00 0.00 178.16 177.42 2pzh h GLU 26 N 0.71 0.51 -0.55 0.00 4.22 -0.31 -2.08 114.58 117.08 2pzh h GLU 26 Ca 0.16 -0.15 0.09 0.00 0.08 0.00 0.00 59.36 59.54 2pzh h GLU 26 Cb 0.23 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.35 2pzh h GLU 26 CO -0.01 0.63 0.16 0.00 -2.18 0.00 0.00 179.01 177.61 2pzh h ARG 27 N 0.32 0.30 -0.53 1.92 3.08 -0.80 -0.37 114.38 118.30 2pzh h ARG 27 Ca 0.09 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.13 2pzh h ARG 27 Cb 0.38 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 2pzh h ARG 27 CO 0.01 0.20 0.35 0.00 -1.07 0.00 0.00 179.97 179.46 2pzh h ALA 28 N 1.40 0.67 0.07 0.04 0.00 -1.14 0.60 119.26 120.91 2pzh h ALA 28 Ca 0.28 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2pzh h ALA 28 Cb 0.36 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2pzh h ALA 28 CO -0.32 0.10 -0.04 0.00 0.00 0.00 0.00 179.25 178.99 2pzh h ARG 29 N 0.71 -0.11 -0.28 0.00 3.08 -0.73 -3.04 114.38 114.01 2pzh h ARG 29 Ca 0.20 0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.16 2pzh h ARG 29 Cb -0.07 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 2pzh h ARG 29 CO -0.05 -0.07 -0.24 0.77 -1.07 0.00 0.00 179.97 179.31 2pzh h SER 30 N -0.11 0.55 -0.52 7.04 0.02 -0.80 -2.67 113.55 117.06 2pzh h SER 30 Ca -0.01 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2pzh h SER 30 Cb 0.09 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 2pzh h SER 30 CO 0.01 0.79 0.32 -0.08 -1.14 0.00 0.00 176.83 176.72 2pzh h GLU 31 N 0.48 0.72 -0.82 3.45 4.57 -0.83 0.14 114.58 122.30 2pzh h GLU 31 Ca 0.07 -0.06 0.09 0.00 -1.18 0.00 0.00 59.36 58.28 2pzh h GLU 31 Cb 0.68 -0.15 -0.07 0.00 -0.16 0.00 0.00 28.75 29.04 2pzh h GLU 31 CO 0.05 0.51 0.47 0.74 -1.18 0.00 0.00 179.01 179.60 2pzh h PHE 32 N 0.74 0.84 -0.05 0.92 -1.00 -1.36 0.17 116.94 117.21 2pzh h PHE 32 Ca 0.19 0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.95 2pzh h PHE 32 Cb -0.02 -0.26 0.00 0.00 3.61 0.00 0.00 35.95 39.28 2pzh h PHE 32 CO 0.00 0.35 -0.16 0.74 -1.61 0.00 0.00 178.31 177.63 2pzh h PHE 33 N 0.79 0.26 -0.62 -0.55 0.04 -1.14 -3.14 116.94 112.57 2pzh h PHE 33 Ca 0.39 -0.10 0.07 0.00 2.80 0.00 0.00 57.97 61.13 2pzh h PHE 33 Cb 0.35 -0.04 -0.04 0.00 2.20 0.00 0.00 35.95 38.42 2pzh h PHE 33 CO -0.06 0.78 0.41 0.74 -0.60 0.00 0.00 178.31 179.58 2pzh h PHE 34 N -0.35 0.59 -0.25 -0.55 0.04 -0.36 -1.35 116.94 114.70 2pzh h PHE 34 Ca -0.01 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.71 2pzh h PHE 34 Cb 0.79 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 2pzh h PHE 34 CO 0.13 0.31 -0.16 0.87 -0.60 0.00 0.00 178.31 178.86 2pzh h LYS 35 N 0.58 0.43 -0.80 1.51 1.57 -0.68 -0.75 116.57 118.42 2pzh h LYS 35 Ca 0.27 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2pzh h LYS 35 Cb 0.33 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2pzh h LYS 35 CO -0.08 0.59 0.00 1.04 -0.57 0.00 0.00 179.45 180.43 2pzh n GLN 36 N -4.19 1.81 -1.72 3.15 3.00 -0.59 -4.87 117.38 113.95 2pzh n GLN 36 Ca 0.00 -0.69 -0.18 0.00 -0.01 0.00 0.00 57.00 56.12 2pzh n GLN 36 Cb 0.34 -1.60 -0.06 0.00 0.00 0.00 0.00 30.24 28.92 2pzh n GLN 36 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2pzh n ASN 37 N 0.12 -5.15 -4.37 1.08 5.03 -0.29 -4.99 115.26 106.68 2pzh n ASN 37 Ca 0.06 0.32 -0.23 0.00 0.87 0.00 0.00 54.58 55.61 2pzh n ASN 37 Cb 0.42 -4.22 -0.11 0.00 -1.02 0.00 0.00 39.78 34.85 2pzh n ASN 37 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2pzh s VAL 38 N -2.72 2.03 0.32 2.41 0.11 -0.70 -4.99 120.40 116.87 2pzh s VAL 38 Ca 0.00 -2.04 -0.10 0.00 -2.93 0.00 0.00 61.98 56.91 2pzh s VAL 38 Cb 0.00 -1.99 -0.07 0.00 -1.53 0.00 0.00 36.38 32.79 2pzh s VAL 38 CO 0.00 -0.31 0.66 -0.76 -3.33 0.00 0.00 175.10 171.36 2pzh s LEU 39 N -2.85 4.00 0.00 2.54 1.43 -1.26 -2.30 118.68 120.24 2pzh s LEU 39 Ca 0.20 1.01 -0.02 0.00 -1.03 0.00 0.00 54.13 54.28 2pzh s LEU 39 Cb -0.06 -3.83 -0.11 0.00 0.03 0.00 0.00 46.19 42.23 2pzh s LEU 39 CO 0.09 -0.24 2.17 -0.81 0.23 0.00 0.00 176.35 177.79 2pzh n PRO 40 N -0.79 1.12 -3.46 1.29 -0.04 -1.26 -4.73 135.00 127.13 2pzh n PRO 40 Ca 0.01 -0.39 -0.11 0.00 -0.04 0.00 0.00 63.50 62.97 2pzh n PRO 40 Cb 0.53 -1.53 -0.02 0.00 -0.04 0.00 0.00 33.50 32.45 2pzh n PRO 40 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2pzh s GLU 41 N 1.07 1.11 0.00 0.54 -1.05 -1.26 -4.07 118.70 115.04 2pzh s GLU 41 Ca 0.26 -0.34 0.00 0.00 -0.15 0.00 0.00 54.97 54.74 2pzh s GLU 41 Cb 0.13 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 34.33 2pzh s GLU 41 CO 0.00 -0.47 0.00 0.27 0.95 0.00 0.00 175.26 176.01 2pzh n ASN 42 N -0.20 0.26 -0.10 0.83 0.23 -0.40 -5.01 115.26 110.86 2pzh n ASN 42 Ca -0.15 -0.82 0.23 0.00 -0.53 0.00 0.00 54.58 53.31 2pzh n ASN 42 Cb 0.63 0.00 0.68 0.00 -2.08 0.00 0.00 39.78 39.01 2pzh n ASN 42 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2pzh h GLU 43 N 0.00 0.06 -0.19 -3.83 9.09 -2.03 -2.90 114.58 114.79 2pzh h GLU 43 Ca 0.00 -0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.21 2pzh h GLU 43 Cb 0.00 -0.01 -0.34 0.00 -1.65 0.00 0.00 28.75 26.75 2pzh h GLU 43 CO 0.00 0.04 -0.90 -1.91 0.05 0.00 0.00 179.01 176.29 2pzh n GLU 44 N -4.35 0.92 -3.73 1.06 2.13 -1.26 -5.07 120.64 110.34 2pzh n GLU 44 Ca 0.14 -2.46 -0.13 0.00 0.66 0.00 0.00 57.16 55.37 2pzh n GLU 44 Cb 0.75 -0.60 -0.10 0.00 0.27 0.00 0.00 31.44 31.77 2pzh n GLU 44 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2pzh s GLY 45 N -2.58 -0.27 0.07 8.31 0.00 -1.10 -4.14 107.32 107.62 2pzh s GLY 45 Ca 0.24 0.91 0.02 0.00 0.00 0.00 0.00 44.72 45.90 2pzh s GLY 45 CO -0.09 0.73 -0.07 0.54 0.00 0.00 0.00 173.10 174.21 2pzh s VAL 46 N -0.27 0.63 0.12 1.40 0.11 -0.22 -1.28 120.40 120.90 2pzh s VAL 46 Ca -0.04 -1.54 -0.27 0.00 -2.93 0.00 0.00 61.98 57.20 2pzh s VAL 46 Cb -0.03 -1.19 -0.07 0.00 -1.53 0.00 0.00 36.38 33.56 2pzh s VAL 46 CO 0.02 -0.64 0.85 -0.36 -3.33 0.00 0.00 175.10 171.64 2pzh s PHE 47 N -2.57 3.83 -0.07 1.54 0.08 -1.26 0.24 117.98 119.77 2pzh s PHE 47 Ca 0.02 1.67 0.04 0.00 0.12 0.00 0.00 56.93 58.77 2pzh s PHE 47 Cb -0.02 -2.90 0.00 0.00 -0.57 0.00 0.00 43.02 39.53 2pzh s PHE 47 CO -0.02 0.33 -0.18 0.14 -0.10 0.00 0.00 175.22 175.38 2pzh s VAL 48 N -0.41 1.59 0.06 -0.44 -7.23 0.21 -4.93 120.40 109.26 2pzh s VAL 48 Ca 0.41 -0.76 -0.31 0.00 -1.81 0.00 0.00 61.98 59.51 2pzh s VAL 48 Cb -0.23 -1.39 -0.06 0.00 0.56 0.00 0.00 36.38 35.26 2pzh s VAL 48 CO 0.27 0.46 1.29 -0.51 -0.31 0.00 0.00 175.10 176.30 2pzh s ILE 49 N 0.36 3.76 -0.24 -0.62 2.07 -1.26 -0.89 121.20 124.39 2pzh s ILE 49 Ca -0.13 1.24 0.02 0.00 -1.41 0.00 0.00 60.65 60.37 2pzh s ILE 49 Cb -0.16 -3.80 -0.15 0.00 0.13 0.00 0.00 42.46 38.48 2pzh s ILE 49 CO 0.05 0.08 -0.21 0.54 -1.91 0.00 0.00 174.94 173.49 2pzh n ARG 50 N 4.24 0.59 -3.51 3.50 5.12 -0.16 -4.92 116.66 121.51 2pzh n ARG 50 Ca 0.11 0.13 -0.17 0.00 -1.93 0.00 0.00 57.85 55.99 2pzh n ARG 50 Cb 0.45 -1.47 -0.05 0.00 -1.16 0.00 0.00 32.46 30.22 2pzh n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2pzh s SER 51 N -6.27 -0.63 -0.04 0.55 1.04 -1.19 -5.00 113.70 102.16 2pzh s SER 51 Ca -0.32 0.59 0.01 0.00 0.48 0.00 0.00 55.95 56.72 2pzh s SER 51 Cb 0.08 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.77 2pzh s SER 51 CO 0.55 -0.66 -0.04 -0.63 0.98 0.00 0.00 173.24 173.43 2pzh s ILE 52 N -1.60 0.50 -0.13 -1.02 1.01 -1.26 -1.28 121.20 117.41 2pzh s ILE 52 Ca -0.09 -0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.46 2pzh s ILE 52 Cb -0.00 -0.52 0.00 0.00 0.01 0.00 0.00 42.46 41.95 2pzh s ILE 52 CO 0.06 0.21 -0.20 -0.75 0.00 0.00 0.00 174.94 174.27 2pzh s LYS 53 N 0.83 3.12 0.01 2.79 2.47 -0.29 -4.99 119.74 123.68 2pzh s LYS 53 Ca -0.11 -0.81 0.00 0.00 -1.56 0.00 0.00 55.97 53.49 2pzh s LYS 53 Cb -0.14 -2.47 -0.01 0.00 -1.46 0.00 0.00 37.83 33.75 2pzh s LYS 53 CO 0.00 0.07 -0.02 0.00 0.16 0.00 0.00 175.35 175.56 2pzh s ALA 54 N 0.65 0.09 0.04 3.13 0.00 -1.26 0.24 121.76 124.64 2pzh s ALA 54 Ca -0.10 -0.39 0.07 0.00 0.00 0.00 0.00 51.96 51.54 2pzh s ALA 54 Cb -0.16 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 2pzh s ALA 54 CO 0.02 -0.10 -0.19 -0.51 0.00 0.00 0.00 175.76 174.98 2pzh s ASP 55 N -0.96 2.22 -0.12 0.00 1.01 0.49 -5.00 116.67 114.31 2pzh s ASP 55 Ca -0.10 -0.50 0.01 0.00 0.71 0.00 0.00 52.55 52.66 2pzh s ASP 55 Cb -0.07 -0.17 -0.01 0.00 1.01 0.00 0.00 42.92 43.68 2pzh s ASP 55 CO -0.01 0.12 -0.14 -0.36 0.21 0.00 0.00 175.17 174.99 2pzh s PHE 56 N -0.81 2.77 0.00 4.23 0.40 -1.26 -1.63 117.98 121.68 2pzh s PHE 56 Ca 0.06 -0.64 0.00 0.00 -0.60 0.00 0.00 56.93 55.75 2pzh s PHE 56 Cb -0.08 -1.81 0.00 0.00 0.51 0.00 0.00 43.02 41.64 2pzh s PHE 56 CO 0.02 -0.20 0.00 1.19 0.70 0.00 0.00 175.22 176.93 2pzh n PHE 57 N 3.41 0.00 -2.17 0.36 3.72 -0.46 -4.99 117.46 117.33 2pzh n PHE 57 Ca -0.18 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.80 2pzh n PHE 57 Cb 0.53 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.04 2pzh n PHE 57 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2pzh s THR 58 N 4.07 3.39 0.48 4.37 2.01 -1.14 -4.93 115.64 123.89 2pzh s THR 58 Ca 0.00 0.96 -0.22 0.00 0.31 0.00 0.00 61.69 62.74 2pzh s THR 58 Cb 0.00 -3.61 -0.07 0.00 0.01 0.00 0.00 72.50 68.83 2pzh s THR 58 CO 0.00 0.05 1.15 -2.16 -0.69 0.00 0.00 174.62 172.98 2pzh s PRO 59 N 1.44 3.66 0.34 4.92 0.04 -1.26 -4.28 135.00 139.85 2pzh s PRO 59 Ca 0.65 1.73 -0.02 0.00 0.04 0.00 0.00 61.00 63.40 2pzh s PRO 59 Cb -0.36 -2.30 -0.04 0.00 0.04 0.00 0.00 34.50 31.84 2pzh s PRO 59 CO 0.30 -0.63 0.57 0.00 0.04 0.00 0.00 177.00 177.28 2pzh s ALA 60 N -1.61 3.65 0.35 8.56 0.00 -1.26 -4.98 121.76 126.47 2pzh s ALA 60 Ca 0.66 -0.76 0.07 0.00 0.00 0.00 0.00 51.96 51.92 2pzh s ALA 60 Cb -0.27 -2.21 -0.03 0.00 0.00 0.00 0.00 23.12 20.61 2pzh s ALA 60 CO 0.32 0.04 0.25 -1.54 0.00 0.00 0.00 175.76 174.83 2pzh s SER 61 N -3.76 1.98 0.05 0.00 1.04 -1.26 -1.23 113.70 110.51 2pzh s SER 61 Ca 0.42 -1.75 -0.37 0.00 0.48 0.00 0.00 55.95 54.72 2pzh s SER 61 Cb -0.10 0.56 -0.16 0.00 0.10 0.00 0.00 66.02 66.42 2pzh s SER 61 CO 0.35 -1.04 1.40 -0.11 0.98 0.00 0.00 173.24 174.82 2pzh n LEU 62 N -0.70 1.80 0.00 2.42 7.94 -1.26 -2.10 117.00 125.09 2pzh n LEU 62 Ca 0.04 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.05 2pzh n LEU 62 Cb 0.63 -1.19 0.00 0.00 0.53 0.00 0.00 43.42 43.38 2pzh n LEU 62 CO 0.33 -0.94 0.00 0.61 -1.11 0.00 0.00 177.39 176.28 2pzh n GLY 63 N 2.76 1.95 3.79 -3.96 0.00 0.66 -4.77 105.19 105.62 2pzh n GLY 63 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 2pzh n GLY 63 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pzh s GLN 64 N -0.40 3.08 -0.19 1.61 -0.21 -0.89 -2.65 119.66 120.00 2pzh s GLN 64 Ca 0.00 1.25 -0.06 0.00 0.02 0.00 0.00 55.36 56.57 2pzh s GLN 64 Cb 0.00 -2.00 -0.03 0.00 1.00 0.00 0.00 33.01 31.98 2pzh s GLN 64 CO 0.00 -1.01 0.03 0.08 -2.12 0.00 0.00 175.29 172.27 2pzh s VAL 65 N -2.47 4.39 -0.05 1.09 1.01 -0.40 -1.02 120.40 122.96 2pzh s VAL 65 Ca 0.64 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.46 2pzh s VAL 65 Cb -0.17 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 2pzh s VAL 65 CO 0.40 0.45 -0.03 -0.76 0.00 0.00 0.00 175.10 175.16 2pzh s LEU 66 N 0.63 3.38 -0.13 3.92 1.43 0.98 -1.11 118.68 127.78 2pzh s LEU 66 Ca 0.01 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 2pzh s LEU 66 Cb -0.14 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 2pzh s LEU 66 CO 0.02 0.34 -0.14 -0.70 0.23 0.00 0.00 176.35 176.10 2pzh s GLU 67 N -1.09 3.35 -0.26 1.70 2.12 0.10 -0.97 118.70 123.65 2pzh s GLU 67 Ca 0.15 -0.70 -0.07 0.00 0.36 0.00 0.00 54.97 54.70 2pzh s GLU 67 Cb -0.11 -2.61 -0.02 0.00 0.26 0.00 0.00 34.13 31.65 2pzh s GLU 67 CO 0.05 0.19 0.07 0.42 -0.54 0.00 0.00 175.26 175.45 2pzh s ILE 68 N 0.39 4.22 -0.15 -3.70 1.09 0.15 -1.00 121.20 122.20 2pzh s ILE 68 Ca -0.11 -0.31 -0.04 0.00 -1.10 0.00 0.00 60.65 59.09 2pzh s ILE 68 Cb -0.16 -3.02 -0.03 0.00 -1.06 0.00 0.00 42.46 38.18 2pzh s ILE 68 CO 0.06 0.27 -0.01 -0.13 -0.10 0.00 0.00 174.94 175.02 2pzh s ARG 69 N 1.59 3.60 -0.06 2.79 0.52 -0.02 -3.01 118.95 124.35 2pzh s ARG 69 Ca 0.05 -0.47 0.04 0.00 -0.52 0.00 0.00 55.73 54.83 2pzh s ARG 69 Cb -0.16 -2.94 0.00 0.00 0.52 0.00 0.00 34.95 32.37 2pzh s ARG 69 CO 0.03 0.33 -0.17 0.99 0.02 0.00 0.00 175.30 176.51 2pzh s THR 70 N 0.14 1.45 0.08 0.02 2.01 -1.26 -1.43 115.64 116.65 2pzh s THR 70 Ca 0.00 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.33 2pzh s THR 70 Cb -0.13 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 2pzh s THR 70 CO 0.02 0.42 -0.07 0.00 -0.69 0.00 0.00 174.62 174.30 2pzh s GLN 71 N 0.29 0.76 -0.16 4.92 -2.07 -0.25 -5.01 119.66 118.14 2pzh s GLN 71 Ca -0.10 -1.16 -0.26 0.00 -1.82 0.00 0.00 55.36 52.01 2pzh s GLN 71 Cb -0.14 -0.28 -0.01 0.00 -1.09 0.00 0.00 33.01 31.49 2pzh s GLN 71 CO 0.04 0.01 0.88 0.42 -1.32 0.00 0.00 175.29 175.32 2pzh s ILE 72 N -2.88 4.85 -0.08 3.63 -1.09 -1.26 -1.08 121.20 123.29 2pzh s ILE 72 Ca 0.05 1.74 -0.05 0.00 -2.23 0.00 0.00 60.65 60.17 2pzh s ILE 72 Cb 0.00 -4.18 -0.27 0.00 -1.58 0.00 0.00 42.46 36.43 2pzh s ILE 72 CO -0.03 0.01 0.53 0.50 -1.23 0.00 0.00 174.94 174.73 2pzh h LYS 73 N 7.29 0.26 -2.42 2.79 3.64 -1.04 -3.47 116.57 123.62 2pzh h LYS 73 Ca -0.29 -0.44 -0.07 0.00 -1.27 0.00 0.00 60.65 58.58 2pzh h LYS 73 Cb 1.13 0.16 -0.24 0.00 -0.41 0.00 0.00 32.23 32.88 2pzh h LYS 73 CO 0.85 1.13 -0.14 -2.00 -2.27 0.00 0.00 179.45 177.02 2pzh s GLU 74 N -2.58 0.56 -0.15 1.90 2.12 -0.92 -4.97 118.70 114.66 2pzh s GLU 74 Ca -0.17 0.87 0.00 0.00 0.36 0.00 0.00 54.97 56.03 2pzh s GLU 74 Cb 0.07 0.14 0.03 0.00 0.26 0.00 0.00 34.13 34.63 2pzh s GLU 74 CO 0.81 -0.12 -0.11 -1.17 -0.54 0.00 0.00 175.26 174.13 2pzh s LEU 75 N 1.02 1.66 0.45 2.70 2.96 -1.26 -0.67 118.68 125.53 2pzh s LEU 75 Ca -0.06 -0.54 0.07 0.00 -0.22 0.00 0.00 54.13 53.38 2pzh s LEU 75 Cb -0.06 -1.07 -0.02 0.00 0.50 0.00 0.00 46.19 45.54 2pzh s LEU 75 CO -0.09 -0.11 0.25 -0.13 -1.32 0.00 0.00 176.35 174.96 2pzh s ARG 76 N 1.55 2.28 0.41 1.98 1.81 0.09 -5.02 118.95 122.04 2pzh s ARG 76 Ca 0.03 -1.87 0.10 0.00 -1.72 0.00 0.00 55.73 52.27 2pzh s ARG 76 Cb -0.14 -2.05 0.85 0.00 -0.45 0.00 0.00 34.95 33.17 2pzh s ARG 76 CO -0.09 -0.26 1.97 -0.22 -0.68 0.00 0.00 175.30 176.01 2pzh h LYS 77 N 1.20 0.26 0.02 3.54 3.64 -1.99 -3.27 116.57 119.97 2pzh h LYS 77 Ca -0.41 -0.05 -0.32 0.00 -1.27 0.00 0.00 60.65 58.60 2pzh h LYS 77 Cb 1.27 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 33.00 2pzh h LYS 77 CO 0.65 0.33 -1.93 0.28 -2.27 0.00 0.00 179.45 176.51 2pzh n VAL 78 N -4.34 1.59 -3.54 2.00 0.31 -1.26 0.11 118.33 113.20 2pzh n VAL 78 Ca -0.00 -0.78 -0.12 0.00 -0.01 0.00 0.00 64.34 63.43 2pzh n VAL 78 Cb 0.21 -1.05 -0.04 0.00 -0.91 0.00 0.00 33.84 32.05 2pzh n VAL 78 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 2pzh s PHE 79 N -2.57 -0.39 0.02 3.52 -0.12 -1.23 -3.65 117.98 113.56 2pzh s PHE 79 Ca -0.10 0.23 0.06 0.00 -0.05 0.00 0.00 56.93 57.07 2pzh s PHE 79 Cb 0.07 0.39 -0.02 0.00 -0.63 0.00 0.00 43.02 42.83 2pzh s PHE 79 CO 0.81 -0.73 -0.18 0.54 -0.05 0.00 0.00 175.22 175.60 2pzh s VAL 80 N -3.35 1.45 -0.14 -2.49 0.11 -0.49 -0.73 120.40 114.76 2pzh s VAL 80 Ca -0.00 -0.98 0.01 0.00 -2.93 0.00 0.00 61.98 58.07 2pzh s VAL 80 Cb 0.00 -1.25 -0.00 0.00 -1.53 0.00 0.00 36.38 33.60 2pzh s VAL 80 CO -0.09 0.24 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.07 2pzh s VAL 81 N -0.65 2.65 -0.01 2.04 1.01 0.15 -0.84 120.40 124.75 2pzh s VAL 81 Ca 0.06 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.29 2pzh s VAL 81 Cb -0.08 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 2pzh s VAL 81 CO 0.01 0.53 -0.10 -0.76 0.00 0.00 0.00 175.10 174.78 2pzh s LEU 82 N 0.60 3.01 -0.21 3.92 1.43 -0.43 -0.39 118.68 126.62 2pzh s LEU 82 Ca -0.09 -0.18 -0.06 0.00 -1.03 0.00 0.00 54.13 52.77 2pzh s LEU 82 Cb -0.16 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 2pzh s LEU 82 CO 0.03 0.30 0.04 0.12 0.23 0.00 0.00 176.35 177.07 2pzh s PHE 83 N -0.91 3.11 -0.07 0.29 5.36 -0.24 -0.85 117.98 124.68 2pzh s PHE 83 Ca 0.15 -0.26 0.02 0.00 -0.96 0.00 0.00 56.93 55.88 2pzh s PHE 83 Cb -0.11 -2.12 0.01 0.00 -0.34 0.00 0.00 43.02 40.47 2pzh s PHE 83 CO 0.05 -0.14 -0.11 -0.65 -1.46 0.00 0.00 175.22 172.91 2pzh s GLN 84 N 0.94 1.62 -0.01 10.12 -0.21 -0.17 -1.09 119.66 130.85 2pzh s GLN 84 Ca 0.03 -0.38 0.07 0.00 0.02 0.00 0.00 55.36 55.10 2pzh s GLN 84 Cb -0.14 -1.37 -0.02 0.00 1.00 0.00 0.00 33.01 32.48 2pzh s GLN 84 CO 0.02 0.00 -0.23 -1.21 -2.12 0.00 0.00 175.29 171.76 2pzh s GLU 85 N 0.74 1.81 -0.13 2.91 2.02 -0.51 -0.41 118.70 125.13 2pzh s GLU 85 Ca -0.13 -0.83 0.01 0.00 0.02 0.00 0.00 54.97 54.03 2pzh s GLU 85 Cb -0.16 -1.77 -0.01 0.00 0.10 0.00 0.00 34.13 32.30 2pzh s GLU 85 CO 0.03 0.48 -0.15 0.42 0.02 0.00 0.00 175.26 176.06 2pzh s ILE 86 N -0.56 2.80 -0.03 -1.63 1.01 0.10 -0.84 121.20 122.05 2pzh s ILE 86 Ca 0.09 -0.75 0.06 0.00 0.00 0.00 0.00 60.65 60.05 2pzh s ILE 86 Cb -0.09 -2.16 -0.02 0.00 0.01 0.00 0.00 42.46 40.20 2pzh s ILE 86 CO -0.01 0.53 -0.22 -0.31 0.00 0.00 0.00 174.94 174.93 2pzh s TYR 87 N 0.43 2.47 -0.13 3.97 1.51 -0.17 -0.29 117.35 125.14 2pzh s TYR 87 Ca -0.11 -0.38 -0.25 0.00 -1.01 0.00 0.00 57.07 55.32 2pzh s TYR 87 Cb -0.16 -1.56 -0.02 0.00 -0.11 0.00 0.00 41.96 40.11 2pzh s TYR 87 CO 0.05 0.02 0.81 0.00 -1.11 0.00 0.00 175.55 175.32 2pzh n ILE 89 N 4.41 0.35 -3.75 0.00 -5.35 -0.27 -1.61 119.36 113.15 2pzh n ILE 89 Ca 0.03 -0.27 -0.11 0.00 -0.27 0.00 0.00 62.75 62.13 2pzh n ILE 89 Cb 0.50 -0.47 -0.07 0.00 -1.74 0.00 0.00 39.64 37.86 2pzh n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2pzh s GLN 90 N -2.29 0.84 0.34 6.28 -2.07 -1.22 -4.66 119.66 116.88 2pzh s GLN 90 Ca -0.03 -0.57 -0.11 0.00 -1.82 0.00 0.00 55.36 52.83 2pzh s GLN 90 Cb 0.03 0.36 -0.07 0.00 -1.09 0.00 0.00 33.01 32.24 2pzh s GLN 90 CO 0.31 -0.28 0.70 -0.80 -1.32 0.00 0.00 175.29 173.91 2pzh s ASN 91 N -2.21 6.61 0.30 12.60 -0.87 -1.26 -1.28 114.94 128.83 2pzh s ASN 91 Ca -0.03 1.10 0.02 0.00 -1.57 0.00 0.00 52.86 52.39 2pzh s ASN 91 Cb -0.00 -2.30 0.59 0.00 -0.02 0.00 0.00 41.25 39.52 2pzh s ASN 91 CO -0.05 -0.27 1.87 0.00 -2.57 0.00 0.00 177.10 176.08 2pzh h ALA 92 N 1.80 1.58 0.00 0.60 0.00 -1.81 -1.17 119.26 120.25 2pzh h ALA 92 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2pzh h ALA 92 Cb 1.18 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2pzh h ALA 92 CO 0.65 0.22 0.00 0.66 0.00 0.00 0.00 179.25 180.78 2pzh h SER 93 N 0.95 0.00 -0.55 0.00 4.64 -1.94 -3.46 113.55 113.19 2pzh h SER 93 Ca 0.45 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.53 2pzh h SER 93 Cb 0.42 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.42 2pzh h SER 93 CO -0.21 0.00 -0.22 0.18 -0.87 0.00 0.00 176.83 175.72 2pzh n LEU 94 N -2.32 -0.56 -4.68 5.97 4.77 -0.44 -4.97 117.00 114.76 2pzh n LEU 94 Ca 0.03 0.29 -0.45 0.00 -0.03 0.00 0.00 56.01 55.85 2pzh n LEU 94 Cb 0.29 -2.38 -0.04 0.00 -2.33 0.00 0.00 43.42 38.96 2pzh n LEU 94 CO 0.23 -0.89 1.24 1.21 -1.33 0.00 0.00 177.39 177.85 2pzh n GLU 95 N -1.53 2.33 -1.68 3.23 2.13 -1.26 -4.85 120.64 119.01 2pzh n GLU 95 Ca -0.12 0.84 -0.43 0.00 0.66 0.00 0.00 57.16 58.11 2pzh n GLU 95 Cb 0.52 -2.63 -0.01 0.00 0.27 0.00 0.00 31.44 29.59 2pzh n GLU 95 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 2pzh n PRO 96 N 3.53 2.06 -3.69 5.31 -0.02 -1.26 -4.54 135.00 136.40 2pzh n PRO 96 Ca 0.17 0.73 -0.14 0.00 -2.02 0.00 0.00 63.50 62.23 2pzh n PRO 96 Cb 0.31 -2.32 -0.08 0.00 -0.02 0.00 0.00 33.50 31.38 2pzh n PRO 96 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pzh s MET 97 N -1.42 0.71 -0.09 -0.52 0.23 -1.26 -5.06 119.30 111.90 2pzh s MET 97 Ca 0.59 0.21 -0.28 0.00 -1.03 0.00 0.00 55.69 55.18 2pzh s MET 97 Cb -0.60 0.33 -0.02 0.00 -1.53 0.00 0.00 34.83 33.02 2pzh s MET 97 CO 0.58 -0.17 0.94 0.21 -2.03 0.00 0.00 175.02 174.55 2pzh s LYS 98 N -0.74 4.43 0.42 3.16 2.47 -1.26 -4.96 119.74 123.26 2pzh s LYS 98 Ca -0.08 1.28 -0.25 0.00 -1.56 0.00 0.00 55.97 55.36 2pzh s LYS 98 Cb -0.03 -3.52 -0.10 0.00 -1.46 0.00 0.00 37.83 32.71 2pzh s LYS 98 CO 0.04 -0.23 1.14 -2.30 0.16 0.00 0.00 175.35 174.16 2pzh n PRO 99 N 4.72 1.62 -4.07 4.03 -0.02 -1.26 -4.98 135.00 135.04 2pzh n PRO 99 Ca 0.06 0.58 -0.13 0.00 -2.02 0.00 0.00 63.50 61.99 2pzh n PRO 99 Cb 0.49 -2.21 -0.11 0.00 -0.02 0.00 0.00 33.50 31.65 2pzh n PRO 99 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2pzh s PHE 100 N -1.23 0.70 0.17 6.00 -0.12 -0.63 -4.96 117.98 117.90 2pzh s PHE 100 Ca 0.62 -0.51 -0.30 0.00 -0.05 0.00 0.00 56.93 56.69 2pzh s PHE 100 Cb -0.53 -0.42 -0.07 0.00 -0.63 0.00 0.00 43.02 41.37 2pzh s PHE 100 CO 0.57 -0.08 1.06 0.21 -0.05 0.00 0.00 175.22 176.93 2pzh s LYS 101 N -1.65 4.64 -0.07 1.99 2.20 -1.26 -0.22 119.74 125.37 2pzh s LYS 101 Ca -0.09 1.65 0.03 0.00 -0.36 0.00 0.00 55.97 57.20 2pzh s LYS 101 Cb -0.10 -3.30 -0.06 0.00 -1.51 0.00 0.00 37.83 32.87 2pzh s LYS 101 CO 0.00 0.14 -0.02 0.28 -0.36 0.00 0.00 175.35 175.39 2pzh n VAL 102 N 2.36 0.41 -3.60 4.02 0.31 0.60 -2.87 118.33 119.57 2pzh n VAL 102 Ca 0.02 -0.21 -0.14 0.00 -0.01 0.00 0.00 64.34 64.00 2pzh n VAL 102 Cb 0.47 -0.81 -0.07 0.00 -0.91 0.00 0.00 33.84 32.52 2pzh n VAL 102 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 2pzh s PHE 103 N -2.14 -0.65 -0.07 3.52 5.36 -1.11 -1.35 117.98 121.54 2pzh s PHE 103 Ca -0.06 1.42 -0.05 0.00 -0.96 0.00 0.00 56.93 57.27 2pzh s PHE 103 Cb 0.02 0.35 0.02 0.00 -0.34 0.00 0.00 43.02 43.07 2pzh s PHE 103 CO 0.21 -0.41 0.18 0.00 -1.46 0.00 0.00 175.22 173.73 2pzh s ALA 104 N -0.25 -0.41 0.02 11.12 0.00 -0.65 0.01 121.76 131.60 2pzh s ALA 104 Ca -0.03 0.57 -0.02 0.00 0.00 0.00 0.00 51.96 52.48 2pzh s ALA 104 Cb -0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 2pzh s ALA 104 CO 0.02 -0.10 0.02 -1.54 0.00 0.00 0.00 175.76 174.16 2pzh s SER 105 N 0.38 0.19 -0.15 0.00 1.04 0.45 -0.38 113.70 115.23 2pzh s SER 105 Ca -0.02 -0.44 0.02 0.00 0.48 0.00 0.00 55.95 55.98 2pzh s SER 105 Cb -0.04 0.14 0.01 0.00 0.10 0.00 0.00 66.02 66.23 2pzh s SER 105 CO -0.02 -0.34 -0.21 -0.70 0.98 0.00 0.00 173.24 172.96 2pzh s GLU 106 N -1.57 3.02 -0.08 4.02 2.12 0.14 -1.00 118.70 125.34 2pzh s GLU 106 Ca -0.14 -0.84 0.02 0.00 0.36 0.00 0.00 54.97 54.37 2pzh s GLU 106 Cb -0.08 -2.49 0.01 0.00 0.26 0.00 0.00 34.13 31.82 2pzh s GLU 106 CO -0.01 -0.08 -0.14 0.42 -0.54 0.00 0.00 175.26 174.91 2pzh s ILE 107 N 0.98 1.33 -0.15 -3.70 1.01 -0.03 -1.14 121.20 119.49 2pzh s ILE 107 Ca -0.03 -0.57 -0.07 0.00 0.00 0.00 0.00 60.65 59.98 2pzh s ILE 107 Cb -0.15 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.07 2pzh s ILE 107 CO -0.06 0.40 0.09 -0.75 0.00 0.00 0.00 174.94 174.62 2pzh s LYS 108 N 0.79 3.70 -0.05 2.79 2.20 -0.41 -1.31 119.74 127.46 2pzh s LYS 108 Ca -0.11 -0.27 0.05 0.00 -0.36 0.00 0.00 55.97 55.27 2pzh s LYS 108 Cb -0.16 -3.18 -0.00 0.00 -1.51 0.00 0.00 37.83 32.99 2pzh s LYS 108 CO 0.02 0.49 -0.19 -0.06 -0.36 0.00 0.00 175.35 175.25 2pzh s PHE 109 N -0.23 1.94 0.24 4.03 0.08 -0.02 -0.99 117.98 123.03 2pzh s PHE 109 Ca 0.09 -0.59 0.05 0.00 0.12 0.00 0.00 56.93 56.60 2pzh s PHE 109 Cb -0.12 -1.30 -0.03 0.00 -0.57 0.00 0.00 43.02 41.00 2pzh s PHE 109 CO 0.01 -0.20 0.32 0.20 -0.10 0.00 0.00 175.22 175.45 2pzh s GLY 110 N 0.04 1.27 -0.15 4.36 0.00 -0.06 -1.40 107.32 111.37 2pzh s GLY 110 Ca -0.05 -1.27 -0.04 0.00 0.00 0.00 0.00 44.72 43.36 2pzh s GLY 110 CO 0.03 -1.29 -0.01 -0.12 0.00 0.00 0.00 173.10 171.71 2pzh s PHE 111 N -2.01 3.09 0.07 1.90 5.36 -1.24 0.68 117.98 125.83 2pzh s PHE 111 Ca 0.34 -0.17 0.00 0.00 -0.96 0.00 0.00 56.93 56.14 2pzh s PHE 111 Cb -0.09 -1.97 -0.04 0.00 -0.34 0.00 0.00 43.02 40.58 2pzh s PHE 111 CO 0.28 0.05 -0.05 0.14 -1.46 0.00 0.00 175.22 174.19 2pzh s VAL 112 N 0.25 0.44 0.30 3.12 -7.23 0.14 -1.08 120.40 116.34 2pzh s VAL 112 Ca -0.01 -1.81 -0.29 0.00 -1.81 0.00 0.00 61.98 58.06 2pzh s VAL 112 Cb -0.13 -1.52 -0.10 0.00 0.56 0.00 0.00 36.38 35.19 2pzh s VAL 112 CO 0.02 -0.90 1.18 0.21 -0.31 0.00 0.00 175.10 175.30 2pzh s ASN 113 N -2.88 7.08 -0.01 4.85 3.84 -0.69 -1.05 114.94 126.08 2pzh s ASN 113 Ca 0.08 2.43 -0.24 0.00 0.21 0.00 0.00 52.86 55.34 2pzh s ASN 113 Cb 0.06 -2.64 -0.17 0.00 -0.55 0.00 0.00 41.25 37.95 2pzh s ASN 113 CO -0.07 -0.29 1.16 0.03 -2.79 0.00 0.00 177.10 175.13 2pzh h ARG 114 N 3.66 -0.29 -0.60 0.43 3.08 -1.92 0.19 114.38 118.92 2pzh h ARG 114 Ca -0.48 0.02 0.12 0.00 0.07 0.00 0.00 59.98 59.71 2pzh h ARG 114 Cb 1.22 0.07 -0.12 0.00 0.08 0.00 0.00 29.97 31.22 2pzh h ARG 114 CO 0.66 0.07 -0.23 0.77 -1.07 0.00 0.00 179.97 180.17 2pzh h SER 115 N -0.73 -0.82 0.00 7.04 0.02 -1.93 -3.31 113.55 113.82 2pzh h SER 115 Ca -0.03 0.20 -0.06 0.00 -0.84 0.00 0.00 61.79 61.06 2pzh h SER 115 Cb 0.50 0.46 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 2pzh h SER 115 CO 0.05 -0.25 -1.76 0.35 -1.14 0.00 0.00 176.83 174.08 2pzh n THR 116 N -5.44 0.24 -1.39 -2.27 -2.24 -1.24 -4.98 114.28 96.96 2pzh n THR 116 Ca 0.06 -0.41 -0.13 0.00 -2.27 0.00 0.00 64.05 61.30 2pzh n THR 116 Cb 0.34 -0.04 -0.06 0.00 -2.10 0.00 0.00 70.33 68.47 2pzh n THR 116 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2pzh n TYR 117 N -2.15 0.00 -2.63 4.78 0.53 0.68 -4.97 117.16 113.40 2pzh n TYR 117 Ca -0.08 0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.40 2pzh n TYR 117 Cb 0.53 -2.92 -0.05 0.00 -1.03 0.00 0.00 39.34 35.87 2pzh n TYR 117 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 2pzh s SER 118 N -2.50 7.47 0.44 7.72 0.15 -1.26 -4.73 113.70 120.99 2pzh s SER 118 Ca 0.00 2.08 -0.24 0.00 0.70 0.00 0.00 55.95 58.50 2pzh s SER 118 Cb 0.00 -2.62 -0.08 0.00 -1.71 0.00 0.00 66.02 61.62 2pzh s SER 118 CO 0.00 0.01 1.15 -2.16 1.20 0.00 0.00 173.24 173.44 2pzh s PRO 119 N -1.21 3.89 0.16 5.44 0.04 -1.26 -1.70 135.00 140.36 2pzh s PRO 119 Ca 0.43 1.76 -0.00 0.00 0.04 0.00 0.00 61.00 63.22 2pzh s PRO 119 Cb -0.28 -2.49 -0.04 0.00 0.04 0.00 0.00 34.50 31.72 2pzh s PRO 119 CO 0.36 -0.44 0.06 0.96 0.04 0.00 0.00 177.00 177.98 2pzh s ILE 120 N -1.53 0.24 0.34 0.56 -4.36 -0.24 -4.88 121.20 111.33 2pzh s ILE 120 Ca 0.61 -1.94 -0.29 0.00 -0.26 0.00 0.00 60.65 58.77 2pzh s ILE 120 Cb -0.28 -2.17 -0.11 0.00 1.25 0.00 0.00 42.46 41.14 2pzh s ILE 120 CO 0.35 -0.36 1.50 0.00 0.24 0.00 0.00 174.94 176.66 2pzh n ALA 121 N -0.18 2.27 -1.66 2.27 0.00 -1.26 -4.41 120.51 117.54 2pzh n ALA 121 Ca -0.04 0.36 -0.46 0.00 0.00 0.00 0.00 53.44 53.30 2pzh n ALA 121 Cb 0.64 -2.41 -0.03 0.00 0.00 0.00 0.00 19.45 17.65 2pzh n ALA 121 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2pzh n ILE 122 N 1.04 0.61 -1.75 0.00 5.41 0.12 -4.92 119.36 119.88 2pzh n ILE 122 Ca 0.04 -0.15 -0.40 0.00 1.00 0.00 0.00 62.75 63.24 2pzh n ILE 122 Cb 0.38 -1.45 0.02 0.00 -0.71 0.00 0.00 39.64 37.88 2pzh n ILE 122 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2pzh n PRO 123 N 2.47 2.09 -0.19 0.38 -0.02 -1.26 -4.72 135.00 133.74 2pzh n PRO 123 Ca 0.14 0.75 -0.00 0.00 -2.02 0.00 0.00 63.50 62.36 2pzh n PRO 123 Cb 0.30 -2.57 0.10 0.00 -0.02 0.00 0.00 33.50 31.31 2pzh n PRO 123 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2pzh h LYS 124 N 2.10 0.23 -0.54 -0.52 1.57 -1.98 0.90 116.57 118.33 2pzh h LYS 124 Ca -0.50 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.30 2pzh h LYS 124 Cb 1.28 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.50 2pzh h LYS 124 CO 0.60 0.15 0.31 -0.07 -0.57 0.00 0.00 179.45 179.87 2pzh h LEU 125 N 0.24 0.48 -0.65 2.94 3.38 -2.00 -2.02 115.31 117.68 2pzh h LEU 125 Ca 0.30 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 58.14 2pzh h LEU 125 Cb 0.44 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2pzh h LEU 125 CO -0.39 0.33 -0.57 -0.26 0.09 0.00 0.00 178.44 177.64 2pzh h PHE 126 N 0.60 0.42 -0.30 1.13 0.04 -1.53 -1.98 116.94 115.31 2pzh h PHE 126 Ca 0.23 -0.15 -0.07 0.00 2.80 0.00 0.00 57.97 60.77 2pzh h PHE 126 Cb 0.08 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 2pzh h PHE 126 CO -0.08 0.82 -0.12 -0.22 -0.60 0.00 0.00 178.31 178.11 2pzh h LYS 127 N 0.25 0.52 0.02 1.51 1.63 0.11 0.47 116.57 121.08 2pzh h LYS 127 Ca 0.00 -0.15 -0.26 0.00 -0.85 0.00 0.00 60.65 59.39 2pzh h LYS 127 Cb 1.07 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.61 2pzh h LYS 127 CO 0.09 0.64 -1.38 0.93 -3.45 0.00 0.00 179.45 176.28 2pzh h GLU 128 N 0.48 0.04 -0.03 1.90 4.39 -1.34 -2.41 114.58 117.62 2pzh h GLU 128 Ca 0.09 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 59.72 2pzh h GLU 128 Cb 0.50 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 2pzh h GLU 128 CO 0.03 0.82 -0.03 -0.07 -1.16 0.00 0.00 179.01 178.60 2pzh h LEU 129 N 0.01 -0.09 -0.82 1.33 4.07 -1.16 -2.54 115.31 116.11 2pzh h LEU 129 Ca -0.16 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.80 2pzh h LEU 129 Cb 1.91 0.04 -0.04 0.00 1.08 0.00 0.00 40.66 43.66 2pzh h LEU 129 CO 0.11 -0.04 0.45 -0.07 -1.08 0.00 0.00 178.44 177.81 2pzh h LEU 130 N -0.04 1.03 -1.73 1.67 3.38 -0.92 -2.01 115.31 116.68 2pzh h LEU 130 Ca 0.02 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2pzh h LEU 130 Cb 0.07 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 2pzh h LEU 130 CO -0.05 0.83 -0.17 -1.13 0.09 0.00 0.00 178.44 178.02 2pzh h ASN 131 N 1.14 0.00 -0.01 -0.43 -0.00 -1.40 -3.46 115.58 111.43 2pzh h ASN 131 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.59 2pzh h ASN 131 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.36 2pzh h ASN 131 CO -0.05 0.17 0.00 0.00 -0.00 0.00 0.00 177.43 177.55