#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ps2 n ALA 2 N 0.00 3.39 -2.71 0.62 0.00 -1.26 -5.08 120.51 115.47 1ps2 n ALA 2 Ca 0.00 -0.91 -0.43 0.00 0.00 0.00 0.00 53.44 52.11 1ps2 n ALA 2 Cb 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 19.45 18.88 1ps2 n ALA 2 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ps2 s GLN 3 N -0.04 3.23 0.00 0.00 1.11 -1.26 -4.96 119.66 117.75 1ps2 s GLN 3 Ca 0.05 -0.45 0.00 0.00 0.01 0.00 0.00 55.36 54.97 1ps2 s GLN 3 Cb 0.18 -4.14 0.00 0.00 -1.01 0.00 0.00 33.01 28.04 1ps2 s GLN 3 CO -0.05 -1.73 0.00 0.25 0.01 0.00 0.00 175.29 173.77 1ps2 n THR 4 N 6.14 0.00 -3.09 -0.19 -2.24 -1.26 -5.14 114.28 108.50 1ps2 n THR 4 Ca 0.00 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.39 1ps2 n THR 4 Cb 0.47 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.64 1ps2 n THR 4 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1ps2 s GLU 5 N -1.46 4.42 0.05 -0.78 0.41 -1.26 -4.68 118.70 115.40 1ps2 s GLU 5 Ca 0.00 0.95 0.06 0.00 -0.41 0.00 0.00 54.97 55.57 1ps2 s GLU 5 Cb 0.00 -3.31 -0.03 0.00 -1.78 0.00 0.00 34.13 29.02 1ps2 s GLU 5 CO 0.00 0.45 -0.17 0.99 -0.49 0.00 0.00 175.26 176.05 1ps2 s THR 6 N -0.60 1.33 -0.17 3.63 2.01 -1.24 -5.01 115.64 115.60 1ps2 s THR 6 Ca 0.34 -1.17 0.15 0.00 0.31 0.00 0.00 61.69 61.32 1ps2 s THR 6 Cb -0.21 -1.20 0.43 0.00 0.01 0.00 0.00 72.50 71.53 1ps2 s THR 6 CO 0.22 0.01 1.20 0.00 -0.69 0.00 0.00 174.62 175.36 1ps2 s THR 8 N -2.59 5.17 0.06 0.00 -1.32 -1.26 -4.98 115.64 110.71 1ps2 s THR 8 Ca 0.38 0.44 -0.13 0.00 -1.21 0.00 0.00 61.69 61.17 1ps2 s THR 8 Cb 0.38 -3.72 0.02 0.00 -1.51 0.00 0.00 72.50 67.66 1ps2 s THR 8 CO -0.08 0.10 0.30 -0.69 -2.21 0.00 0.00 174.62 172.03 1ps2 s VAL 9 N 2.06 0.09 0.21 5.08 1.01 -1.26 -4.92 120.40 122.67 1ps2 s VAL 9 Ca 0.14 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 1ps2 s VAL 9 Cb -0.16 -1.02 -0.08 0.00 0.00 0.00 0.00 36.38 35.12 1ps2 s VAL 9 CO 0.10 -0.41 1.14 0.00 0.00 0.00 0.00 175.10 175.93 1ps2 s ALA 10 N -2.88 3.41 0.27 5.51 0.00 -1.26 -4.80 121.76 122.00 1ps2 s ALA 10 Ca -0.03 0.89 0.14 0.00 0.00 0.00 0.00 51.96 52.96 1ps2 s ALA 10 Cb 0.00 -3.37 0.95 0.00 0.00 0.00 0.00 23.12 20.70 1ps2 s ALA 10 CO -0.05 -0.26 1.19 -2.30 0.00 0.00 0.00 175.76 174.33 1ps2 n PRO 11 N 2.08 -0.05 0.04 0.00 -0.01 -1.26 0.10 135.00 135.90 1ps2 n PRO 11 Ca 0.02 1.05 -0.20 0.00 -0.01 0.00 0.00 63.50 64.36 1ps2 n PRO 11 Cb 0.45 -1.85 -0.14 0.00 -0.01 0.00 0.00 33.50 31.94 1ps2 n PRO 11 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1ps2 h ARG 12 N 0.00 0.28 -0.03 -0.52 3.08 -2.03 -3.20 114.38 111.95 1ps2 h ARG 12 Ca 0.61 -0.48 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1ps2 h ARG 12 Cb 1.57 0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.80 1ps2 h ARG 12 CO -0.60 1.23 0.00 0.39 -1.07 0.00 0.00 179.97 179.92 1ps2 n GLU 13 N -4.11 0.73 -2.74 0.04 1.02 0.28 -4.75 120.64 111.11 1ps2 n GLU 13 Ca -0.15 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.56 1ps2 n GLU 13 Cb 0.83 -1.02 -0.03 0.00 -0.02 0.00 0.00 31.44 31.20 1ps2 n GLU 13 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1ps2 s ARG 14 N -1.95 4.37 -0.17 3.49 0.52 0.72 -4.67 118.95 121.26 1ps2 s ARG 14 Ca 0.00 1.28 -0.18 0.00 -0.52 0.00 0.00 55.73 56.32 1ps2 s ARG 14 Cb 0.00 -3.56 -0.04 0.00 0.52 0.00 0.00 34.95 31.87 1ps2 s ARG 14 CO 0.00 -0.35 0.47 -0.65 0.02 0.00 0.00 175.30 174.78 1ps2 s GLN 15 N 2.17 4.24 -0.21 3.54 -1.52 -1.26 -5.01 119.66 121.62 1ps2 s GLN 15 Ca 0.45 0.36 -0.29 0.00 -1.95 0.00 0.00 55.36 53.93 1ps2 s GLN 15 Cb -0.17 -3.51 -0.02 0.00 -0.22 0.00 0.00 33.01 29.09 1ps2 s GLN 15 CO 0.15 0.00 1.46 1.21 -0.25 0.00 0.00 175.29 177.86 1ps2 s ASN 16 N 0.91 6.62 0.00 5.90 3.84 -1.26 -2.05 114.94 128.90 1ps2 s ASN 16 Ca 0.23 1.60 0.28 0.00 0.21 0.00 0.00 52.86 55.19 1ps2 s ASN 16 Cb -0.15 -2.54 1.17 0.00 -0.55 0.00 0.00 41.25 39.18 1ps2 s ASN 16 CO 0.09 -1.06 1.84 0.00 -2.79 0.00 0.00 177.10 175.18 1ps2 n GLY 18 N 1.37 0.74 3.54 0.00 0.00 -1.24 -4.97 105.19 104.63 1ps2 n GLY 18 Ca 0.11 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.95 1ps2 n GLY 18 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ps2 s PHE 19 N -2.00 1.50 0.10 1.61 -0.71 -1.26 -4.70 117.98 112.52 1ps2 s PHE 19 Ca 0.00 1.21 0.07 0.00 -1.04 0.00 0.00 56.93 57.18 1ps2 s PHE 19 Cb 0.00 -3.14 -0.22 0.00 -1.21 0.00 0.00 43.02 38.45 1ps2 s PHE 19 CO 0.00 -3.61 1.19 -1.00 -1.34 0.00 0.00 175.22 170.46 1ps2 h PRO 20 N -2.44 0.01 0.00 1.99 0.13 -1.99 -3.22 132.00 126.49 1ps2 h PRO 20 Ca -0.59 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 1ps2 h PRO 20 Cb 1.33 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1ps2 h PRO 20 CO 0.51 0.94 0.00 0.41 -0.23 0.00 0.00 178.00 179.63 1ps2 n GLY 21 N 1.39 -0.40 2.04 1.56 0.00 -1.26 -4.69 105.19 103.83 1ps2 n GLY 21 Ca -0.03 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 1ps2 n GLY 21 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ps2 n VAL 22 N -1.34 0.00 -4.10 1.61 0.24 -1.22 -5.06 118.33 108.47 1ps2 n VAL 22 Ca 0.01 -0.01 -0.10 0.00 -2.04 0.00 0.00 64.34 62.20 1ps2 n VAL 22 Cb 0.02 -0.64 -0.11 0.00 -1.47 0.00 0.00 33.84 31.64 1ps2 n VAL 22 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1ps2 s THR 23 N -1.72 0.47 0.31 3.34 -4.23 -1.26 -4.99 115.64 107.55 1ps2 s THR 23 Ca 0.43 -1.54 0.13 0.00 -1.18 0.00 0.00 61.69 59.53 1ps2 s THR 23 Cb -0.07 -1.16 0.33 0.00 1.34 0.00 0.00 72.50 72.93 1ps2 s THR 23 CO 0.36 -0.72 1.38 -2.65 -0.54 0.00 0.00 174.62 172.45 1ps2 n PRO 24 N 0.62 -0.06 -0.10 3.99 -0.01 -1.26 0.12 135.00 138.30 1ps2 n PRO 24 Ca -0.17 1.24 -0.13 0.00 -0.01 0.00 0.00 63.50 64.43 1ps2 n PRO 24 Cb 0.58 -2.14 -0.04 0.00 -0.01 0.00 0.00 33.50 31.90 1ps2 n PRO 24 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 175.50 176.15 1ps2 h SER 25 N 0.00 0.74 0.29 2.55 4.64 -1.96 -0.97 113.55 118.84 1ps2 h SER 25 Ca 0.67 -0.46 -0.01 0.00 -0.47 0.00 0.00 61.79 61.52 1ps2 h SER 25 Cb 1.67 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 1ps2 h SER 25 CO -0.72 1.04 -0.14 1.56 -0.87 0.00 0.00 176.83 177.70 1ps2 h GLN 26 N 0.44 -0.37 0.00 4.77 1.08 0.50 0.41 115.11 121.94 1ps2 h GLN 26 Ca 0.05 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1ps2 h GLN 26 Cb 0.81 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 1ps2 h GLN 26 CO 0.07 -0.08 0.00 0.00 -0.95 0.00 0.00 178.83 177.87 1ps2 n ALA 28 N -2.07 3.26 -0.02 0.00 0.00 -0.37 -1.85 120.51 119.46 1ps2 n ALA 28 Ca -0.02 -0.65 -0.16 0.00 0.00 0.00 0.00 53.44 52.61 1ps2 n ALA 28 Cb 0.11 -0.77 -0.09 0.00 0.00 0.00 0.00 19.45 18.70 1ps2 n ALA 28 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1ps2 h ASN 29 N 2.95 0.57 0.15 0.00 -0.00 0.19 -3.34 115.58 116.10 1ps2 h ASN 29 Ca 0.00 -0.66 -0.33 0.00 -0.00 0.00 0.00 56.30 55.31 1ps2 h ASN 29 Cb 0.80 -0.17 0.00 0.00 -0.00 0.00 0.00 38.32 38.95 1ps2 h ASN 29 CO 0.00 1.14 -1.66 0.50 -0.00 0.00 0.00 177.43 177.41 1ps2 h LYS 30 N 0.03 0.33 0.00 6.67 3.64 -1.76 -3.48 116.57 121.99 1ps2 h LYS 30 Ca -0.04 -0.56 0.00 0.00 -1.27 0.00 0.00 60.65 58.79 1ps2 h LYS 30 Cb 1.14 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 1ps2 h LYS 30 CO 0.10 1.27 0.00 0.41 -2.27 0.00 0.00 179.45 178.96 1ps2 n GLY 31 N 1.83 1.25 3.76 5.01 0.00 -1.24 -5.12 105.19 110.68 1ps2 n GLY 31 Ca -0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 1ps2 n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ps2 s PHE 34 N 3.14 3.52 -0.28 0.00 2.19 -1.26 -0.96 117.98 124.33 1ps2 s PHE 34 Ca 0.72 0.55 -0.21 0.00 0.33 0.00 0.00 56.93 58.32 1ps2 s PHE 34 Cb -0.35 -1.99 0.09 0.00 -1.31 0.00 0.00 43.02 39.45 1ps2 s PHE 34 CO 0.30 0.52 0.77 0.34 1.83 0.00 0.00 175.22 178.97 1ps2 s ASP 35 N -2.14 -0.77 -0.24 6.13 2.15 -0.21 -4.97 116.67 116.61 1ps2 s ASP 35 Ca 0.35 1.36 0.18 0.00 0.43 0.00 0.00 52.55 54.87 1ps2 s ASP 35 Cb -0.13 1.35 0.48 0.00 -0.30 0.00 0.00 42.92 44.32 1ps2 s ASP 35 CO 0.22 -0.22 1.15 -0.90 -0.17 0.00 0.00 175.17 175.24 1ps2 n ASP 36 N 3.38 2.46 0.16 -0.34 5.68 -1.26 -4.14 116.55 122.48 1ps2 n ASP 36 Ca -0.17 -2.62 -0.09 0.00 -0.50 0.00 0.00 54.79 51.42 1ps2 n ASP 36 Cb 0.57 -0.42 -0.05 0.00 -1.14 0.00 0.00 41.12 40.08 1ps2 n ASP 36 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1ps2 h THR 37 N 4.53 0.19 -3.57 2.12 1.35 -1.97 -3.44 112.91 112.12 1ps2 h THR 37 Ca 0.00 -0.71 -0.68 0.00 -0.55 0.00 0.00 66.41 64.48 1ps2 h THR 37 Cb 1.40 0.32 -0.19 0.00 -1.73 0.00 0.00 68.15 67.95 1ps2 h THR 37 CO 0.32 0.05 -0.69 -0.69 -0.25 0.00 0.00 175.52 174.26 1ps2 s VAL 38 N -3.38 3.76 0.89 6.82 1.01 -1.26 -5.12 120.40 123.12 1ps2 s VAL 38 Ca -0.09 -0.45 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 1ps2 s VAL 38 Cb 0.01 -2.56 0.18 0.00 0.00 0.00 0.00 36.38 34.01 1ps2 s VAL 38 CO 0.30 0.58 1.23 0.00 0.00 0.00 0.00 175.10 177.20 1ps2 s ARG 39 N -0.60 0.94 0.00 2.72 1.70 -1.26 -4.09 118.95 118.36 1ps2 s ARG 39 Ca 0.09 -0.63 0.00 0.00 -0.47 0.00 0.00 55.73 54.72 1ps2 s ARG 39 Cb -0.12 -1.99 0.00 0.00 -0.57 0.00 0.00 34.95 32.27 1ps2 s ARG 39 CO 0.02 -2.13 0.00 0.41 -1.08 0.00 0.00 175.30 172.52 1ps2 n GLY 40 N -3.49 1.33 3.88 3.88 0.00 -1.26 -4.93 105.19 104.60 1ps2 n GLY 40 Ca 0.15 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1ps2 n GLY 40 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ps2 s VAL 41 N -0.01 4.77 0.19 1.61 -7.23 -1.26 -5.00 120.40 113.47 1ps2 s VAL 41 Ca 0.00 0.63 -0.32 0.00 -1.81 0.00 0.00 61.98 60.48 1ps2 s VAL 41 Cb 0.00 -3.80 -0.12 0.00 0.56 0.00 0.00 36.38 33.02 1ps2 s VAL 41 CO 0.00 -0.77 1.74 -0.81 -0.31 0.00 0.00 175.10 174.95 1ps2 n PRO 42 N -1.91 2.75 -0.04 4.82 -0.04 -1.26 -4.94 135.00 134.39 1ps2 n PRO 42 Ca 0.03 1.00 -0.21 0.00 -0.04 0.00 0.00 63.50 64.28 1ps2 n PRO 42 Cb 0.54 -2.85 -0.13 0.00 -0.04 0.00 0.00 33.50 31.03 1ps2 n PRO 42 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1ps2 h TRP 43 N 7.02 0.26 -3.61 0.54 4.06 -1.92 -3.44 115.95 118.87 1ps2 h TRP 43 Ca -0.44 -0.19 -0.64 0.00 2.06 0.00 0.00 58.89 59.68 1ps2 h TRP 43 Cb 1.21 -0.01 -0.14 0.00 -1.00 0.00 0.00 29.16 29.22 1ps2 h TRP 43 CO 0.66 1.51 0.25 0.00 -3.56 0.00 0.00 178.44 177.31 1ps2 s PHE 45 N 3.06 1.70 0.79 0.00 -0.71 -0.14 -0.72 117.98 121.96 1ps2 s PHE 45 Ca 0.27 -1.36 -0.10 0.00 -1.04 0.00 0.00 56.93 54.69 1ps2 s PHE 45 Cb -0.13 -0.96 0.09 0.00 -1.21 0.00 0.00 43.02 40.82 1ps2 s PHE 45 CO 0.21 -0.47 1.14 0.71 -1.34 0.00 0.00 175.22 175.47 1ps2 s TYR 46 N -3.45 2.71 0.00 3.49 2.02 -0.87 0.13 117.35 121.38 1ps2 s TYR 46 Ca 0.33 0.55 0.00 0.00 -0.37 0.00 0.00 57.07 57.58 1ps2 s TYR 46 Cb 0.04 -3.47 0.00 0.00 -0.40 0.00 0.00 41.96 38.13 1ps2 s TYR 46 CO 0.18 -1.77 0.00 -0.35 -1.57 0.00 0.00 175.55 172.03 1ps2 n PRO 47 N -3.23 1.10 -3.18 -1.71 -0.04 -1.26 -4.57 135.00 122.10 1ps2 n PRO 47 Ca 0.09 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.57 1ps2 n PRO 47 Cb 0.61 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.05 1ps2 n PRO 47 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1ps2 s ASN 48 N -1.00 -1.22 -0.79 3.54 -0.87 0.13 -4.94 114.94 109.79 1ps2 s ASN 48 Ca 0.00 0.11 -0.26 0.00 -1.57 0.00 0.00 52.86 51.14 1ps2 s ASN 48 Cb 0.00 1.86 0.04 0.00 -0.02 0.00 0.00 41.25 43.13 1ps2 s ASN 48 CO 0.00 -0.31 1.29 0.42 -2.57 0.00 0.00 177.10 175.93 1ps2 s THR 49 N 2.77 3.82 0.16 1.60 -4.23 -1.26 -3.72 115.64 114.78 1ps2 s THR 49 Ca 0.10 0.10 0.01 0.00 -1.18 0.00 0.00 61.69 60.72 1ps2 s THR 49 Cb -0.11 -4.93 -0.04 0.00 1.34 0.00 0.00 72.50 68.76 1ps2 s THR 49 CO -0.27 -1.84 0.03 -0.63 -0.54 0.00 0.00 174.62 171.37 1ps2 s ILE 50 N 5.43 0.44 0.00 2.99 1.01 -1.26 -5.08 121.20 124.72 1ps2 s ILE 50 Ca 0.36 -1.95 0.00 0.00 0.00 0.00 0.00 60.65 59.06 1ps2 s ILE 50 Cb -0.07 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 40.28 1ps2 s ILE 50 CO 0.09 -0.45 0.00 -0.67 0.00 0.00 0.00 174.94 173.92 1ps2 n ASP 51 N -0.19 0.73 -4.27 3.58 -0.08 -1.26 -4.82 116.55 110.24 1ps2 n ASP 51 Ca -0.06 -0.67 -0.15 0.00 -1.51 0.00 0.00 54.79 52.41 1ps2 n ASP 51 Cb 0.64 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 44.00 1ps2 n ASP 51 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1ps2 s VAL 52 N 0.73 1.25 0.30 5.18 -7.23 -1.26 -5.16 120.40 114.20 1ps2 s VAL 52 Ca 0.00 -2.08 -0.06 0.00 -1.81 0.00 0.00 61.98 58.03 1ps2 s VAL 52 Cb 0.00 -1.91 -0.05 0.00 0.56 0.00 0.00 36.38 34.98 1ps2 s VAL 52 CO 0.00 -0.70 0.57 -2.16 -0.31 0.00 0.00 175.10 172.51 1ps2 s PRO 53 N -3.74 3.65 0.23 4.82 0.04 -1.26 -4.99 135.00 133.76 1ps2 s PRO 53 Ca 0.18 0.06 0.02 0.00 0.04 0.00 0.00 61.00 61.31 1ps2 s PRO 53 Cb 0.02 -2.62 0.57 0.00 0.04 0.00 0.00 34.50 32.51 1ps2 s PRO 53 CO 0.02 0.19 1.13 -2.30 0.04 0.00 0.00 177.00 176.09 1ps2 n PRO 54 N -0.94 -0.06 -4.26 0.56 -0.01 -1.26 -4.51 135.00 124.53 1ps2 n PRO 54 Ca -0.01 1.08 -0.14 0.00 -0.01 0.00 0.00 63.50 64.42 1ps2 n PRO 54 Cb 0.54 -1.73 -0.10 0.00 -0.01 0.00 0.00 33.50 32.20 1ps2 n PRO 54 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 175.50 173.49 1ps2 s GLU 55 N -5.61 1.19 -0.25 -0.52 2.12 -1.26 -5.14 118.70 109.23 1ps2 s GLU 55 Ca -0.09 -1.59 -0.04 0.00 0.36 0.00 0.00 54.97 53.60 1ps2 s GLU 55 Cb 0.21 -0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.33 1ps2 s GLU 55 CO 0.56 -0.17 -0.01 -2.00 -0.54 0.00 0.00 175.26 173.11 1ps2 s GLU 56 N -3.94 3.19 -0.21 4.30 2.56 -1.26 -5.06 118.70 118.27 1ps2 s GLU 56 Ca 0.27 -0.76 -0.04 0.00 0.00 0.00 0.00 54.97 54.44 1ps2 s GLU 56 Cb 0.06 -3.12 0.09 0.00 2.00 0.00 0.00 34.13 33.17 1ps2 s GLU 56 CO 0.06 -0.31 0.19 -2.00 -0.56 0.00 0.00 175.26 172.65 1ps2 s GLU 57 N 1.45 0.18 -0.06 4.30 2.12 -1.26 -5.12 118.70 120.31 1ps2 s GLU 57 Ca 0.04 0.05 -0.02 0.00 0.36 0.00 0.00 54.97 55.39 1ps2 s GLU 57 Cb -0.16 -1.28 0.04 0.00 0.26 0.00 0.00 34.13 32.99 1ps2 s GLU 57 CO -0.02 -0.73 0.10 -1.12 -0.54 0.00 0.00 175.26 172.96 1ps2 s SER 58 N 2.27 0.73 -0.22 -1.70 0.01 -1.26 -5.12 113.70 108.41 1ps2 s SER 58 Ca 0.06 0.20 -0.00 0.00 1.31 0.00 0.00 55.95 57.52 1ps2 s SER 58 Cb -0.16 0.06 0.06 0.00 0.21 0.00 0.00 66.02 66.20 1ps2 s SER 58 CO -0.16 -0.22 -0.03 -0.70 0.41 0.00 0.00 173.24 172.54 1ps2 s GLU 59 N 1.99 1.38 0.00 12.44 2.56 -1.26 -5.37 118.70 130.44 1ps2 s GLU 59 Ca 0.01 -0.82 0.00 0.00 0.00 0.00 0.00 54.97 54.17 1ps2 s GLU 59 Cb -0.12 -2.43 0.00 0.00 2.00 0.00 0.00 34.13 33.58 1ps2 s GLU 59 CO -0.04 -0.60 0.33 0.34 -0.56 0.00 0.00 175.26 174.73