#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 2.99 -2.60 -1.84 0.00 -1.26 -5.09 120.51 112.71 1ps2 n ALA 2 Ca 0.00 -1.30 -0.43 0.00 0.00 0.00 0.00 53.44 51.71 1ps2 n ALA 2 Cb 0.00 -0.73 -0.04 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.55 3.80 -0.13 0.00 1.11 -1.26 -4.86 119.66 117.77 1ps2 s GLN 3 Ca 0.12 0.51 -0.03 0.00 0.01 0.00 0.00 55.36 55.97 1ps2 s GLN 3 Cb 0.34 -3.82 -0.03 0.00 -1.01 0.00 0.00 33.01 28.49 1ps2 s GLN 3 CO -0.09 -0.98 -0.04 0.95 0.01 0.00 0.00 175.29 175.14 1ps2 s THR 4 N 3.50 3.93 0.01 -0.19 -4.23 -1.26 -5.09 115.64 112.31 1ps2 s THR 4 Ca 0.38 -0.36 -0.24 0.00 -1.18 0.00 0.00 61.69 60.28 1ps2 s THR 4 Cb -0.12 -2.69 -0.05 0.00 1.34 0.00 0.00 72.50 70.99 1ps2 s THR 4 CO 0.20 0.53 0.73 -1.61 -0.54 0.00 0.00 174.62 173.93 1ps2 s GLU 5 N -0.07 4.46 -0.21 3.99 2.02 -1.26 -4.16 118.70 123.47 1ps2 s GLU 5 Ca 0.02 0.99 -0.04 0.00 0.02 0.00 0.00 54.97 55.95 1ps2 s GLU 5 Cb -0.13 -3.38 0.11 0.00 0.10 0.00 0.00 34.13 30.82 1ps2 s GLU 5 CO 0.03 0.23 0.36 0.99 0.02 0.00 0.00 175.26 176.89 1ps2 s THR 6 N 0.15 -0.56 -0.12 3.63 2.01 -1.26 -5.00 115.64 114.50 1ps2 s THR 6 Ca 0.38 0.04 0.13 0.00 0.31 0.00 0.00 61.69 62.54 1ps2 s THR 6 Cb -0.20 -0.71 -0.18 0.00 0.01 0.00 0.00 72.50 71.43 1ps2 s THR 6 CO 0.21 -0.04 0.32 0.00 -0.69 0.00 0.00 174.62 174.42 1ps2 s THR 8 N -2.74 3.57 0.32 0.00 -1.32 -1.26 -4.90 115.64 109.31 1ps2 s THR 8 Ca -0.03 0.55 0.03 0.00 -1.21 0.00 0.00 61.69 61.03 1ps2 s THR 8 Cb 0.08 -3.84 -0.04 0.00 -1.51 0.00 0.00 72.50 67.19 1ps2 s THR 8 CO 0.52 -0.59 0.12 -0.69 -2.21 0.00 0.00 174.62 171.77 1ps2 s VAL 9 N 6.82 0.58 -0.03 5.08 1.01 -1.26 -5.10 120.40 127.51 1ps2 s VAL 9 Ca 0.73 -2.00 -0.30 0.00 0.00 0.00 0.00 61.98 60.41 1ps2 s VAL 9 Cb -0.19 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 1ps2 s VAL 9 CO 0.31 0.00 1.50 0.00 0.00 0.00 0.00 175.10 176.92 1ps2 s ALA 10 N -3.50 3.62 0.43 5.51 0.00 -1.26 -4.85 121.76 121.70 1ps2 s ALA 10 Ca 0.34 0.90 0.35 0.00 0.00 0.00 0.00 51.96 53.54 1ps2 s ALA 10 Cb 0.06 -3.66 1.40 0.00 0.00 0.00 0.00 23.12 20.92 1ps2 s ALA 10 CO 0.16 -1.13 1.39 -2.30 0.00 0.00 0.00 175.76 173.87 1ps2 n PRO 11 N 6.14 -0.02 -0.01 0.00 -0.02 -1.26 0.97 135.00 140.80 1ps2 n PRO 11 Ca 0.15 1.06 -0.17 0.00 -2.02 0.00 0.00 63.50 62.52 1ps2 n PRO 11 Cb 0.43 -2.21 -0.13 0.00 -0.02 0.00 0.00 33.50 31.57 1ps2 n PRO 11 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 1ps2 h ARG 12 N 0.00 0.19 -1.88 -0.52 0.11 -2.03 -3.27 114.38 106.99 1ps2 h ARG 12 Ca 0.80 -0.27 -0.11 0.00 0.10 0.00 0.00 59.98 60.50 1ps2 h ARG 12 Cb 2.82 0.09 -0.05 0.00 1.11 0.00 0.00 29.97 33.95 1ps2 h ARG 12 CO -0.27 1.08 0.09 0.39 0.10 0.00 0.00 179.97 181.36 1ps2 n GLU 13 N -4.37 1.32 -4.13 0.08 -0.58 0.27 -4.86 120.64 108.37 1ps2 n GLU 13 Ca -0.11 -0.54 -0.34 0.00 -0.42 0.00 0.00 57.16 55.75 1ps2 n GLU 13 Cb 0.63 -1.26 -0.07 0.00 -0.57 0.00 0.00 31.44 30.17 1ps2 n GLU 13 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1ps2 s ARG 14 N -0.44 3.12 -0.41 3.49 0.52 -1.03 -4.60 118.95 119.60 1ps2 s ARG 14 Ca 0.14 -0.39 -0.20 0.00 -0.52 0.00 0.00 55.73 54.76 1ps2 s ARG 14 Cb 0.10 -2.91 0.02 0.00 0.52 0.00 0.00 34.95 32.67 1ps2 s ARG 14 CO -0.01 0.69 0.60 -0.65 0.02 0.00 0.00 175.30 175.95 1ps2 s GLN 15 N -1.38 3.36 -0.22 3.54 -1.52 -1.26 -5.00 119.66 117.18 1ps2 s GLN 15 Ca 0.19 -0.34 -0.28 0.00 -1.95 0.00 0.00 55.36 52.98 1ps2 s GLN 15 Cb -0.12 -3.91 -0.05 0.00 -0.22 0.00 0.00 33.01 28.71 1ps2 s GLN 15 CO 0.09 -0.90 2.20 1.21 -0.25 0.00 0.00 175.29 177.64 1ps2 s ASN 16 N 1.92 5.48 0.18 5.90 3.84 -1.26 -2.41 114.94 128.59 1ps2 s ASN 16 Ca 0.21 1.89 0.24 0.00 0.21 0.00 0.00 52.86 55.41 1ps2 s ASN 16 Cb -0.15 -2.51 0.34 0.00 -0.55 0.00 0.00 41.25 38.39 1ps2 s ASN 16 CO 0.17 -1.94 1.36 0.00 -2.79 0.00 0.00 177.10 173.90 1ps2 n GLY 18 N 1.28 -0.90 3.60 0.00 0.00 -1.18 -4.94 105.19 103.03 1ps2 n GLY 18 Ca 0.03 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 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 1.75 0.09 1.61 -0.71 -1.26 -4.71 117.98 112.75 1ps2 s PHE 19 Ca 0.00 1.18 0.06 0.00 -1.04 0.00 0.00 56.93 57.12 1ps2 s PHE 19 Cb 0.00 -3.18 -0.23 0.00 -1.21 0.00 0.00 43.02 38.41 1ps2 s PHE 19 CO 0.00 -3.27 1.17 -1.00 -1.34 0.00 0.00 175.22 170.77 1ps2 h PRO 20 N -2.18 0.05 0.00 1.99 0.13 -1.96 -3.25 132.00 126.78 1ps2 h PRO 20 Ca -0.56 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 1ps2 h PRO 20 Cb 1.32 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1ps2 h PRO 20 CO 0.53 0.98 0.04 0.41 -0.23 0.00 0.00 178.00 179.72 1ps2 n GLY 21 N 1.42 -0.48 3.47 1.56 0.00 -1.26 -4.68 105.19 105.22 1ps2 n GLY 21 Ca -0.04 0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 1ps2 n GLY 21 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ps2 s VAL 22 N -2.96 2.00 0.14 1.61 -7.23 -1.23 -5.05 120.40 107.69 1ps2 s VAL 22 Ca -0.00 0.00 0.06 0.00 -1.81 0.00 0.00 61.98 60.23 1ps2 s VAL 22 Cb 0.00 -2.04 -0.04 0.00 0.56 0.00 0.00 36.38 34.87 1ps2 s VAL 22 CO 0.01 -0.00 -0.15 0.42 -0.31 0.00 0.00 175.10 175.07 1ps2 s THR 23 N -2.43 1.46 0.34 5.32 -4.23 -1.26 -4.99 115.64 109.85 1ps2 s THR 23 Ca 0.69 -1.82 0.24 0.00 -1.18 0.00 0.00 61.69 59.62 1ps2 s THR 23 Cb -0.25 -1.65 0.37 0.00 1.34 0.00 0.00 72.50 72.30 1ps2 s THR 23 CO 0.65 -0.43 1.29 -2.65 -0.54 0.00 0.00 174.62 172.94 1ps2 n PRO 24 N 0.37 -0.04 -0.04 3.99 -0.01 -1.26 0.11 135.00 138.13 1ps2 n PRO 24 Ca -0.14 1.06 -0.13 0.00 -0.01 0.00 0.00 63.50 64.28 1ps2 n PRO 24 Cb 0.57 -2.03 -0.08 0.00 -0.01 0.00 0.00 33.50 31.95 1ps2 n PRO 24 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 175.50 176.26 1ps2 h SER 25 N 0.00 0.27 -0.01 2.55 0.02 -1.95 0.87 113.55 115.29 1ps2 h SER 25 Ca 0.72 -0.49 -0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1ps2 h SER 25 Cb 2.18 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 64.64 1ps2 h SER 25 CO -0.46 0.70 0.01 1.56 -1.14 0.00 0.00 176.83 177.49 1ps2 h GLN 26 N -0.17 0.02 0.00 3.45 1.08 0.45 0.40 115.11 120.35 1ps2 h GLN 26 Ca 0.02 -0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.17 1ps2 h GLN 26 Cb 0.63 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.05 1ps2 h GLN 26 CO 0.03 0.08 -0.19 0.00 -0.95 0.00 0.00 178.83 177.80 1ps2 n ALA 28 N -2.39 3.04 -0.01 0.00 0.00 0.30 -1.54 120.51 119.92 1ps2 n ALA 28 Ca -0.02 -0.27 -0.05 0.00 0.00 0.00 0.00 53.44 53.11 1ps2 n ALA 28 Cb 0.27 -1.26 -0.12 0.00 0.00 0.00 0.00 19.45 18.35 1ps2 n ALA 28 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ps2 n ASN 29 N -1.36 0.76 -0.01 0.00 2.85 0.13 -4.14 115.26 113.49 1ps2 n ASN 29 Ca 0.08 0.35 -0.07 0.00 -0.11 0.00 0.00 54.58 54.83 1ps2 n ASN 29 Cb 0.33 0.18 -0.13 0.00 1.24 0.00 0.00 39.78 41.40 1ps2 n ASN 29 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 1ps2 h LYS 30 N 0.00 0.00 0.00 1.20 3.64 -1.48 -3.49 116.57 116.44 1ps2 h LYS 30 Ca -0.25 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1ps2 h LYS 30 Cb 1.83 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.65 1ps2 h LYS 30 CO 0.06 0.47 0.00 0.41 -2.27 0.00 0.00 179.45 178.12 1ps2 n GLY 31 N 1.51 0.72 3.30 5.01 0.00 -1.03 -5.12 105.19 109.59 1ps2 n GLY 31 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 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 6.47 3.72 -0.26 0.00 5.36 -1.26 -2.22 117.98 129.79 1ps2 s PHE 34 Ca 0.88 1.14 -0.01 0.00 -0.96 0.00 0.00 56.93 57.98 1ps2 s PHE 34 Cb -0.32 -2.49 0.14 0.00 -0.34 0.00 0.00 43.02 40.00 1ps2 s PHE 34 CO 0.35 0.48 0.37 0.34 -1.46 0.00 0.00 175.22 175.30 1ps2 s ASP 35 N -0.60 0.41 -0.68 6.13 2.15 -0.03 -4.98 116.67 119.07 1ps2 s ASP 35 Ca 0.28 -0.00 0.01 0.00 0.43 0.00 0.00 52.55 53.26 1ps2 s ASP 35 Cb -0.18 1.05 0.39 0.00 -0.30 0.00 0.00 42.92 43.88 1ps2 s ASP 35 CO 0.16 -0.32 1.71 -0.90 -0.17 0.00 0.00 175.17 175.65 1ps2 n ASP 36 N 5.36 6.56 -0.07 -0.34 5.68 -1.26 -4.17 116.55 128.31 1ps2 n ASP 36 Ca -0.03 -3.79 -0.12 0.00 -0.50 0.00 0.00 54.79 50.35 1ps2 n ASP 36 Cb 0.50 -0.84 -0.10 0.00 -1.14 0.00 0.00 41.12 39.54 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 2.09 1.30 -3.81 2.12 1.35 -1.98 -3.46 112.91 110.52 1ps2 h THR 37 Ca 0.48 -2.02 -0.68 0.00 -0.55 0.00 0.00 66.41 63.64 1ps2 h THR 37 Cb 0.44 2.50 -0.20 0.00 -1.73 0.00 0.00 68.15 69.17 1ps2 h THR 37 CO 1.24 0.44 -0.77 -0.69 -0.25 0.00 0.00 175.52 175.49 1ps2 s VAL 38 N -2.10 3.13 0.83 6.82 1.01 -1.26 -5.13 120.40 123.68 1ps2 s VAL 38 Ca -0.16 -1.07 -0.06 0.00 0.00 0.00 0.00 61.98 60.70 1ps2 s VAL 38 Cb -0.01 -2.35 0.17 0.00 0.00 0.00 0.00 36.38 34.19 1ps2 s VAL 38 CO 0.53 0.33 1.13 0.00 0.00 0.00 0.00 175.10 177.09 1ps2 s ARG 39 N -1.52 1.15 0.00 2.72 1.70 -1.26 -4.28 118.95 117.46 1ps2 s ARG 39 Ca 0.16 -1.01 0.00 0.00 -0.47 0.00 0.00 55.73 54.41 1ps2 s ARG 39 Cb -0.11 -2.16 0.00 0.00 -0.57 0.00 0.00 34.95 32.11 1ps2 s ARG 39 CO 0.07 -1.90 0.00 0.41 -1.08 0.00 0.00 175.30 172.80 1ps2 n GLY 40 N -3.21 1.60 3.90 3.88 0.00 -1.26 -4.93 105.19 105.17 1ps2 n GLY 40 Ca 0.17 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.00 2.00 -0.09 1.61 -7.23 -1.26 -5.03 120.40 110.40 1ps2 s VAL 41 Ca 0.00 0.00 -0.26 0.00 -1.81 0.00 0.00 61.98 59.91 1ps2 s VAL 41 Cb 0.00 -2.99 -0.03 0.00 0.56 0.00 0.00 36.38 33.92 1ps2 s VAL 41 CO 0.00 0.00 0.82 -2.16 -0.31 0.00 0.00 175.10 173.45 1ps2 s PRO 42 N -5.61 4.41 -0.01 4.82 0.05 -1.26 -4.96 135.00 132.43 1ps2 s PRO 42 Ca 0.64 1.06 -0.13 0.00 0.05 0.00 0.00 61.00 62.62 1ps2 s PRO 42 Cb -0.10 -3.50 -0.33 0.00 0.05 0.00 0.00 34.50 30.62 1ps2 s PRO 42 CO 0.50 -0.12 0.83 -1.49 0.05 0.00 0.00 177.00 176.77 1ps2 h TRP 43 N 7.00 0.85 -3.47 0.56 6.55 -1.89 -3.43 115.95 122.12 1ps2 h TRP 43 Ca -0.36 -0.62 -0.64 0.00 0.95 0.00 0.00 58.89 58.22 1ps2 h TRP 43 Cb 1.17 -0.03 -0.14 0.00 -0.86 0.00 0.00 29.16 29.30 1ps2 h TRP 43 CO 0.68 1.62 0.31 0.00 -1.05 0.00 0.00 178.44 180.01 1ps2 s PHE 45 N 3.25 1.65 0.66 0.00 -0.71 -0.94 -0.44 117.98 121.45 1ps2 s PHE 45 Ca 0.26 -1.42 -0.07 0.00 -1.04 0.00 0.00 56.93 54.66 1ps2 s PHE 45 Cb -0.14 -0.86 0.03 0.00 -1.21 0.00 0.00 43.02 40.84 1ps2 s PHE 45 CO 0.20 -0.57 0.99 0.71 -1.34 0.00 0.00 175.22 175.21 1ps2 s TYR 46 N -3.53 3.12 0.45 3.49 2.02 -1.01 -0.45 117.35 121.44 1ps2 s TYR 46 Ca 0.35 0.64 -0.04 0.00 -0.37 0.00 0.00 57.07 57.64 1ps2 s TYR 46 Cb 0.04 -3.00 -0.04 0.00 -0.40 0.00 0.00 41.96 38.56 1ps2 s TYR 46 CO 0.19 -1.15 0.73 -1.25 -1.57 0.00 0.00 175.55 172.49 1ps2 s PRO 47 N -5.18 3.54 -0.47 -1.71 0.05 -1.26 -4.61 135.00 125.36 1ps2 s PRO 47 Ca 0.57 0.09 0.03 0.00 0.05 0.00 0.00 61.00 61.74 1ps2 s PRO 47 Cb -0.11 -2.44 0.15 0.00 0.05 0.00 0.00 34.50 32.15 1ps2 s PRO 47 CO 0.46 -0.11 0.32 -0.80 0.05 0.00 0.00 177.00 176.91 1ps2 s ASN 48 N -4.04 3.03 -0.21 6.66 0.01 -0.95 -5.05 114.94 114.39 1ps2 s ASN 48 Ca 0.46 -2.94 -0.21 0.00 -0.71 0.00 0.00 52.86 49.46 1ps2 s ASN 48 Cb -0.10 -0.85 -0.02 0.00 0.41 0.00 0.00 41.25 40.68 1ps2 s ASN 48 CO 0.42 -0.21 0.66 0.42 -1.51 0.00 0.00 177.10 176.88 1ps2 s THR 49 N 0.02 4.99 0.07 1.60 -4.23 -1.26 -4.20 115.64 112.63 1ps2 s THR 49 Ca 0.24 1.23 -0.09 0.00 -1.18 0.00 0.00 61.69 61.89 1ps2 s THR 49 Cb -0.11 -3.97 -0.06 0.00 1.34 0.00 0.00 72.50 69.70 1ps2 s THR 49 CO -0.09 0.08 0.39 -0.63 -0.54 0.00 0.00 174.62 173.82 1ps2 s ILE 50 N 2.10 5.12 0.30 2.99 1.01 -1.26 -5.03 121.20 126.43 1ps2 s ILE 50 Ca 0.29 0.42 -0.14 0.00 0.00 0.00 0.00 60.65 61.23 1ps2 s ILE 50 Cb -0.16 -3.64 0.02 0.00 0.01 0.00 0.00 42.46 38.69 1ps2 s ILE 50 CO 0.10 0.30 0.61 -0.62 0.00 0.00 0.00 174.94 175.33 1ps2 s ASP 51 N -1.75 0.05 -0.37 3.58 2.15 -1.26 -4.27 116.67 114.79 1ps2 s ASP 51 Ca 0.32 -0.98 0.01 0.00 0.43 0.00 0.00 52.55 52.33 1ps2 s ASP 51 Cb -0.14 0.69 0.15 0.00 -0.30 0.00 0.00 42.92 43.32 1ps2 s ASP 51 CO 0.18 -1.34 0.24 0.68 -0.17 0.00 0.00 175.17 174.75 1ps2 s VAL 52 N -3.46 0.27 0.57 1.11 -7.23 -1.26 -5.13 120.40 105.26 1ps2 s VAL 52 Ca 0.19 -1.96 -0.01 0.00 -1.81 0.00 0.00 61.98 58.40 1ps2 s VAL 52 Cb -0.03 -1.21 0.03 0.00 0.56 0.00 0.00 36.38 35.74 1ps2 s VAL 52 CO 0.11 -1.03 0.81 -2.16 -0.31 0.00 0.00 175.10 172.52 1ps2 s PRO 53 N 0.82 2.56 0.08 4.82 0.04 -1.26 -5.04 135.00 137.02 1ps2 s PRO 53 Ca 0.21 -0.61 0.19 0.00 0.04 0.00 0.00 61.00 60.83 1ps2 s PRO 53 Cb -0.18 -2.42 -0.12 0.00 0.04 0.00 0.00 34.50 31.82 1ps2 s PRO 53 CO -0.03 -0.76 0.83 -0.35 0.04 0.00 0.00 177.00 176.73 1ps2 n PRO 54 N -2.43 0.62 -4.47 0.56 -0.05 -1.26 -4.97 135.00 122.99 1ps2 n PRO 54 Ca 0.07 0.15 -0.25 0.00 -0.05 0.00 0.00 63.50 63.42 1ps2 n PRO 54 Cb 0.59 -1.78 -0.08 0.00 -0.05 0.00 0.00 33.50 32.19 1ps2 n PRO 54 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 175.50 174.24 1ps2 s GLU 55 N -3.09 1.91 0.13 0.54 2.02 -1.26 -5.17 118.70 113.78 1ps2 s GLU 55 Ca -0.03 -2.16 0.08 0.00 0.02 0.00 0.00 54.97 52.88 1ps2 s GLU 55 Cb 0.09 -0.43 -0.04 0.00 0.10 0.00 0.00 34.13 33.86 1ps2 s GLU 55 CO 0.81 -0.52 -0.19 -1.21 0.02 0.00 0.00 175.26 174.18 1ps2 s GLU 56 N -3.66 1.17 -0.12 1.61 2.02 -1.26 -5.14 118.70 113.33 1ps2 s GLU 56 Ca 0.26 -1.28 -0.04 0.00 0.02 0.00 0.00 54.97 53.93 1ps2 s GLU 56 Cb 0.02 -1.28 0.06 0.00 0.10 0.00 0.00 34.13 33.03 1ps2 s GLU 56 CO 0.17 0.27 0.24 -2.00 0.02 0.00 0.00 175.26 173.96 1ps2 s GLU 57 N -2.42 0.13 0.16 1.61 2.12 -1.26 -5.15 118.70 113.88 1ps2 s GLU 57 Ca 0.11 0.70 -0.02 0.00 0.36 0.00 0.00 54.97 56.12 1ps2 s GLU 57 Cb -0.07 -0.09 -0.05 0.00 0.26 0.00 0.00 34.13 34.18 1ps2 s GLU 57 CO 0.05 -0.28 0.35 -1.12 -0.54 0.00 0.00 175.26 173.72 1ps2 s SER 58 N 2.33 6.42 0.13 -1.70 0.01 -1.26 -5.10 113.70 114.52 1ps2 s SER 58 Ca 0.01 0.44 0.02 0.00 1.31 0.00 0.00 55.95 57.73 1ps2 s SER 58 Cb -0.12 -2.03 -0.04 0.00 0.21 0.00 0.00 66.02 64.05 1ps2 s SER 58 CO -0.08 0.03 0.25 -1.61 0.41 0.00 0.00 173.24 172.24 1ps2 s GLU 59 N -2.95 3.40 0.00 12.44 2.02 -1.26 -5.37 118.70 126.98 1ps2 s GLU 59 Ca 0.39 -0.57 0.00 0.00 0.02 0.00 0.00 54.97 54.81 1ps2 s GLU 59 Cb -0.12 -2.96 0.00 0.00 0.10 0.00 0.00 34.13 31.15 1ps2 s GLU 59 CO 0.27 0.54 0.12 1.97 0.02 0.00 0.00 175.26 178.19