#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rpi n ASN 2 N 0.00 0.00 -3.97 7.83 3.02 -1.26 -5.16 115.26 115.72 2rpi n ASN 2 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.27 2rpi n ASN 2 Cb 0.00 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.26 2rpi n ASN 2 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2rpi n PRO 3 N -0.76 -0.87 0.01 3.52 -0.02 -1.26 -4.96 135.00 130.66 2rpi n PRO 3 Ca 0.00 -0.25 -0.19 0.00 -2.02 0.00 0.00 63.50 61.04 2rpi n PRO 3 Cb 0.00 -1.28 -0.14 0.00 -0.02 0.00 0.00 33.50 32.06 2rpi n PRO 3 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2rpi h SER 4 N -1.74 0.35 -0.01 2.55 0.87 -2.01 -3.41 113.55 110.15 2rpi h SER 4 Ca -0.35 -0.77 0.00 0.00 -1.23 0.00 0.00 61.79 59.44 2rpi h SER 4 Cb 1.09 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.93 2rpi h SER 4 CO 0.22 1.69 -0.03 -0.65 -0.53 0.00 0.00 176.83 177.53 2rpi h PRO 5 N 0.06 -0.03 0.00 2.24 0.11 -2.04 -3.46 132.00 128.88 2rpi h PRO 5 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2rpi h PRO 5 Cb 2.04 0.01 0.00 0.00 0.11 0.00 0.00 31.00 33.15 2rpi h PRO 5 CO 0.09 -0.02 0.00 2.89 -0.21 0.00 0.00 178.00 180.75 2rpi n ARG 6 N -2.74 0.00 -3.15 1.05 1.85 -1.26 -5.11 116.66 107.30 2rpi n ARG 6 Ca -0.00 0.00 0.06 0.00 -1.00 0.00 0.00 57.85 56.90 2rpi n ARG 6 Cb 0.02 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.43 2rpi n ARG 6 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 2rpi s LYS 7 N -1.96 0.09 -0.08 2.89 2.20 -1.26 -4.77 119.74 116.85 2rpi s LYS 7 Ca 0.00 0.09 -0.30 0.00 -0.36 0.00 0.00 55.97 55.41 2rpi s LYS 7 Cb 0.00 0.04 -0.02 0.00 -1.51 0.00 0.00 37.83 36.35 2rpi s LYS 7 CO 0.00 -0.17 1.02 0.50 -0.36 0.00 0.00 175.35 176.34 2rpi s ARG 8 N 2.97 4.44 -0.13 4.03 3.52 -1.26 -1.68 118.95 130.85 2rpi s ARG 8 Ca 0.28 1.42 -0.02 0.00 -0.13 0.00 0.00 55.73 57.28 2rpi s ARG 8 Cb -0.01 -3.53 -0.02 0.00 -1.56 0.00 0.00 34.95 29.83 2rpi s ARG 8 CO -0.22 -0.28 -0.07 0.08 -0.81 0.00 0.00 175.30 174.01 2rpi s VAL 9 N 1.85 3.66 -1.08 7.11 1.01 -0.37 -4.93 120.40 127.65 2rpi s VAL 9 Ca 0.50 -0.45 -0.14 0.00 0.00 0.00 0.00 61.98 61.88 2rpi s VAL 9 Cb -0.19 -2.57 0.19 0.00 0.00 0.00 0.00 36.38 33.81 2rpi s VAL 9 CO 0.20 0.52 1.21 0.00 0.00 0.00 0.00 175.10 177.04 2rpi s ALA 10 N 0.11 4.03 -0.32 5.51 0.00 -1.26 0.10 121.76 129.92 2rpi s ALA 10 Ca -0.02 -3.33 -0.14 0.00 0.00 0.00 0.00 51.96 48.47 2rpi s ALA 10 Cb -0.14 -3.91 -0.02 0.00 0.00 0.00 0.00 23.12 19.04 2rpi s ALA 10 CO 0.03 -2.64 0.31 -1.17 0.00 0.00 0.00 175.76 172.30 2rpi s LEU 11 N 1.05 4.32 -0.47 0.00 0.20 -1.23 -4.99 118.68 117.56 2rpi s LEU 11 Ca 0.35 -0.15 -0.17 0.00 0.69 0.00 0.00 54.13 54.84 2rpi s LEU 11 Cb -0.06 -2.28 0.06 0.00 -0.43 0.00 0.00 46.19 43.48 2rpi s LEU 11 CO -0.05 -0.25 0.49 -0.36 -0.29 0.00 0.00 176.35 175.89 2rpi s PHE 12 N 1.93 3.15 -1.12 5.38 0.08 -1.26 -0.78 117.98 125.36 2rpi s PHE 12 Ca 0.10 -0.66 -0.24 0.00 0.12 0.00 0.00 56.93 56.25 2rpi s PHE 12 Cb -0.16 -3.24 -0.14 0.00 -0.57 0.00 0.00 43.02 38.90 2rpi s PHE 12 CO 0.11 -0.86 2.02 0.95 -0.10 0.00 0.00 175.22 177.33 2rpi s THR 13 N 2.12 3.34 -0.63 0.64 -4.23 -0.57 -4.69 115.64 111.61 2rpi s THR 13 Ca 0.10 -0.55 0.03 0.00 -1.18 0.00 0.00 61.69 60.09 2rpi s THR 13 Cb -0.21 -4.29 0.37 0.00 1.34 0.00 0.00 72.50 69.71 2rpi s THR 13 CO 0.10 -0.62 1.29 -0.67 -0.54 0.00 0.00 174.62 174.18 2rpi n ASP 14 N 16.44 5.42 0.00 3.99 -0.08 -1.26 -4.65 116.55 136.42 2rpi n ASP 14 Ca 0.43 -3.72 0.00 0.00 -1.51 0.00 0.00 54.79 49.99 2rpi n ASP 14 Cb 0.47 -0.68 0.00 0.00 2.34 0.00 0.00 41.12 43.24 2rpi n ASP 14 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2rpi n GLY 15 N -0.35 0.00 0.38 0.27 0.00 -1.26 -4.94 105.19 99.30 2rpi n GLY 15 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 2rpi n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rpi n ALA 16 N -2.04 0.00 -1.67 4.61 0.00 -1.26 -5.05 120.51 115.11 2rpi n ALA 16 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2rpi n ALA 16 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2rpi n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rpi n ALA 17 N -2.45 -3.04 -0.49 0.00 0.00 -1.26 -5.02 120.51 108.24 2rpi n ALA 17 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2rpi n ALA 17 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.19 2rpi n ALA 17 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2rpi n LEU 18 N -0.10 0.00 -4.43 0.00 -0.00 -1.26 -4.72 117.00 106.48 2rpi n LEU 18 Ca 0.01 -0.06 -0.36 0.00 -0.00 0.00 0.00 56.01 55.60 2rpi n LEU 18 Cb 0.02 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 43.51 2rpi n LEU 18 CO 0.06 0.37 -0.04 0.61 -0.00 0.00 0.00 177.39 178.39 2rpi n GLY 19 N 0.00 -1.79 0.32 1.47 0.00 -1.26 -4.70 105.19 99.24 2rpi n GLY 19 Ca 0.00 -0.44 0.10 0.00 0.00 0.00 0.00 46.02 45.68 2rpi n GLY 19 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2rpi h ASN 20 N -0.52 -0.48 0.15 1.61 -0.73 -2.03 0.53 115.58 114.10 2rpi h ASN 20 Ca -0.45 0.25 -0.01 0.00 1.87 0.00 0.00 56.30 57.96 2rpi h ASN 20 Cb 1.34 0.45 0.00 0.00 0.27 0.00 0.00 38.32 40.38 2rpi h ASN 20 CO 0.41 -0.28 -0.07 -0.65 -0.37 0.00 0.00 177.43 176.46 2rpi h PRO 21 N 0.05 -0.19 0.00 6.67 0.11 -2.04 -3.49 132.00 133.10 2rpi h PRO 21 Ca 0.51 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.64 2rpi h PRO 21 Cb 0.98 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2rpi h PRO 21 CO -0.84 -0.03 0.00 0.41 -0.21 0.00 0.00 178.00 177.34 2rpi n GLY 22 N -0.85 2.61 0.08 -0.55 0.00 0.18 -4.79 105.19 101.88 2rpi n GLY 22 Ca -0.09 -2.00 0.04 0.00 0.00 0.00 0.00 46.02 43.97 2rpi n GLY 22 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2rpi n PRO 23 N -1.40 0.05 0.12 1.61 -0.02 -1.26 -3.36 135.00 130.73 2rpi n PRO 23 Ca 0.00 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 2rpi n PRO 23 Cb 0.00 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 2rpi n PRO 23 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2rpi n GLY 24 N -1.30 -0.18 0.00 -1.23 0.00 -1.26 -3.63 105.19 97.59 2rpi n GLY 24 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2rpi n GLY 24 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2rpi n THR 25 N -1.39 0.00 0.07 2.61 5.66 -1.23 -5.01 114.28 114.99 2rpi n THR 25 Ca 0.00 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.87 2rpi n THR 25 Cb 0.58 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.32 2rpi n THR 25 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 175.07 172.73 2rpi h THR 26 N 0.00 1.42 -0.53 1.09 1.35 -1.62 -2.33 112.91 112.30 2rpi h THR 26 Ca 0.00 -2.50 0.01 0.00 -0.55 0.00 0.00 66.41 63.37 2rpi h THR 26 Cb 0.00 2.44 -0.03 0.00 -1.73 0.00 0.00 68.15 68.84 2rpi h THR 26 CO 0.00 0.74 0.35 -1.13 -0.25 0.00 0.00 175.52 175.23 2rpi h ASN 27 N 0.20 0.61 -0.61 5.36 -0.00 -1.80 1.90 115.58 121.24 2rpi h ASN 27 Ca -0.08 -0.02 -0.05 0.00 -0.00 0.00 0.00 56.30 56.16 2rpi h ASN 27 Cb 1.58 -0.15 -0.03 0.00 -0.00 0.00 0.00 38.32 39.72 2rpi h ASN 27 CO 0.16 0.44 0.19 0.78 -0.00 0.00 0.00 177.43 179.00 2rpi h ASN 28 N 0.72 0.89 -0.48 1.15 2.35 -1.84 0.63 115.58 118.99 2rpi h ASN 28 Ca 0.19 -0.21 -0.12 0.00 -0.55 0.00 0.00 56.30 55.61 2rpi h ASN 28 Cb -0.08 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.04 2rpi h ASN 28 CO -0.04 0.86 -0.16 -0.09 -1.65 0.00 0.00 177.43 176.35 2rpi h ARG 29 N 0.87 0.98 -0.53 0.81 2.43 -0.75 0.36 114.38 118.54 2rpi h ARG 29 Ca 0.20 -0.38 -0.07 0.00 -0.81 0.00 0.00 59.98 58.91 2rpi h ARG 29 Cb 0.29 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 2rpi h ARG 29 CO -0.01 1.06 0.06 0.52 -1.51 0.00 0.00 179.97 180.09 2rpi h MET 30 N 0.86 0.90 -0.23 0.20 2.86 0.35 1.82 114.93 121.69 2rpi h MET 30 Ca 0.12 -0.26 -0.08 0.00 -2.06 0.00 0.00 59.70 57.43 2rpi h MET 30 Cb 0.72 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 2rpi h MET 30 CO 0.06 0.90 -0.20 0.93 1.06 0.00 0.00 176.91 179.66 2rpi h GLU 31 N 0.78 0.40 -0.19 1.72 5.08 0.51 0.13 114.58 123.02 2rpi h GLU 31 Ca 0.16 -0.13 -0.19 0.00 -1.00 0.00 0.00 59.36 58.20 2rpi h GLU 31 Cb 0.45 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2rpi h GLU 31 CO 0.02 0.59 -0.66 1.25 -1.00 0.00 0.00 179.01 179.21 2rpi h LEU 32 N 0.37 0.82 -0.32 1.33 5.85 0.65 -1.93 115.31 122.08 2rpi h LEU 32 Ca 0.06 -0.49 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 2rpi h LEU 32 Cb 0.56 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2rpi h LEU 32 CO 0.04 1.26 0.17 0.50 -0.34 0.00 0.00 178.44 180.07 2rpi h LYS 33 N 0.52 0.46 0.00 1.25 3.11 0.36 -1.45 116.57 120.81 2rpi h LYS 33 Ca -0.02 -0.06 -0.04 0.00 -2.81 0.00 0.00 60.65 57.72 2rpi h LYS 33 Cb 1.26 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 32.39 2rpi h LYS 33 CO 0.13 0.40 -0.21 0.00 -2.81 0.00 0.00 179.45 176.97 2rpi h ALA 34 N 1.03 1.61 0.68 5.00 0.00 -0.75 -2.48 119.26 124.35 2rpi h ALA 34 Ca 0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2rpi h ALA 34 Cb 0.08 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.85 2rpi h ALA 34 CO -0.02 0.26 -0.33 0.00 0.00 0.00 0.00 179.25 179.16 2rpi h ALA 35 N 1.79 -0.92 -0.92 0.00 0.00 -0.49 1.45 119.26 120.17 2rpi h ALA 35 Ca -0.00 -0.21 0.19 0.00 0.00 0.00 0.00 54.91 54.88 2rpi h ALA 35 Cb 0.38 0.36 -0.11 0.00 0.00 0.00 0.00 17.79 18.42 2rpi h ALA 35 CO 0.03 -0.88 0.49 -0.84 0.00 0.00 0.00 179.25 178.05 2rpi h ILE 36 N -1.20 0.64 -0.29 0.00 3.07 -1.21 0.36 117.51 118.88 2rpi h ILE 36 Ca -0.09 -0.21 -0.18 0.00 1.55 0.00 0.00 64.86 65.93 2rpi h ILE 36 Cb 0.72 -0.02 -0.00 0.00 -0.27 0.00 0.00 36.82 37.25 2rpi h ILE 36 CO 0.15 0.11 -0.52 -0.08 -1.05 0.00 0.00 178.15 176.77 2rpi h GLU 37 N 0.61 0.83 0.00 0.16 4.81 -1.32 0.84 114.58 120.51 2rpi h GLU 37 Ca 0.54 -0.51 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2rpi h GLU 37 Cb 0.88 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.32 2rpi h GLU 37 CO -0.42 1.14 0.00 0.41 -0.73 0.00 0.00 179.01 179.41 2rpi n GLY 38 N 0.30 -0.79 0.00 1.92 0.00 0.49 0.32 105.19 107.44 2rpi n GLY 38 Ca -0.04 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2rpi n GLY 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rpi n LEU 39 N -1.16 0.00 -0.08 0.99 4.77 0.15 -4.66 117.00 117.01 2rpi n LEU 39 Ca 0.12 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.01 2rpi n LEU 39 Cb 0.12 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.05 2rpi n LEU 39 CO 0.13 0.00 -0.98 1.17 -1.33 0.00 0.00 177.39 176.38 2rpi n LYS 40 N -1.22 0.67 -0.11 3.23 4.81 0.29 -3.58 118.16 122.26 2rpi n LYS 40 Ca 0.00 0.06 0.04 0.00 -0.87 0.00 0.00 58.31 57.54 2rpi n LYS 40 Cb 0.04 -1.59 0.12 0.00 0.02 0.00 0.00 35.03 33.62 2rpi n LYS 40 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2rpi n ALA 41 N -2.68 2.47 0.04 3.14 0.00 0.15 -4.20 120.51 119.43 2rpi n ALA 41 Ca -0.28 -0.38 -0.00 0.00 0.00 0.00 0.00 53.44 52.77 2rpi n ALA 41 Cb 1.11 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.56 2rpi n ALA 41 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2rpi n LEU 42 N 0.13 1.01 -1.22 0.00 4.77 -1.26 -5.00 117.00 115.43 2rpi n LEU 42 Ca 0.08 0.13 -0.16 0.00 -0.03 0.00 0.00 56.01 56.03 2rpi n LEU 42 Cb 0.19 -0.31 -0.07 0.00 -2.33 0.00 0.00 43.42 40.90 2rpi n LEU 42 CO 0.05 -0.65 -0.15 0.29 -1.33 0.00 0.00 177.39 175.60 2rpi n LYS 43 N -3.47 -1.47 -3.47 3.23 5.02 -1.23 -4.93 118.16 111.84 2rpi n LYS 43 Ca -0.01 1.06 -0.43 0.00 -2.02 0.00 0.00 58.31 56.91 2rpi n LYS 43 Cb 0.08 -5.41 -0.07 0.00 -0.02 0.00 0.00 35.03 29.61 2rpi n LYS 43 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2rpi s GLU 44 N -3.33 2.69 -0.68 1.97 0.41 -1.26 -5.02 118.70 113.48 2rpi s GLU 44 Ca 0.00 -1.80 -0.37 0.00 -0.41 0.00 0.00 54.97 52.39 2rpi s GLU 44 Cb 0.00 -4.06 -0.18 0.00 -1.78 0.00 0.00 34.13 28.10 2rpi s GLU 44 CO 0.00 -1.24 2.39 -2.30 -0.49 0.00 0.00 175.26 173.61 2rpi n PRO 45 N 4.93 0.20 -3.96 0.39 -0.02 -1.26 -4.89 135.00 130.40 2rpi n PRO 45 Ca -0.08 0.04 -0.09 0.00 -2.02 0.00 0.00 63.50 61.34 2rpi n PRO 45 Cb 0.41 -1.74 -0.10 0.00 -0.02 0.00 0.00 33.50 32.04 2rpi n PRO 45 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2rpi s ALA 46 N 7.74 0.03 -1.12 3.55 0.00 -1.26 -4.53 121.76 126.17 2rpi s ALA 46 Ca 1.24 -0.58 -0.17 0.00 0.00 0.00 0.00 51.96 52.45 2rpi s ALA 46 Cb -1.24 0.19 0.13 0.00 0.00 0.00 0.00 23.12 22.20 2rpi s ALA 46 CO 0.55 -0.25 1.40 -1.21 0.00 0.00 0.00 175.76 176.25 2rpi s GLU 47 N -2.14 3.87 -0.50 0.00 0.41 -0.67 -3.22 118.70 116.45 2rpi s GLU 47 Ca -0.09 -2.07 -0.28 0.00 -0.41 0.00 0.00 54.97 52.12 2rpi s GLU 47 Cb -0.04 -5.14 0.03 0.00 -1.78 0.00 0.00 34.13 27.19 2rpi s GLU 47 CO -0.03 -1.91 1.10 0.08 -0.49 0.00 0.00 175.26 174.01 2rpi s VAL 48 N 2.78 4.23 -1.12 2.63 1.01 -1.26 -1.24 120.40 127.42 2rpi s VAL 48 Ca 0.42 1.02 -0.17 0.00 0.00 0.00 0.00 61.98 63.26 2rpi s VAL 48 Cb -0.02 -4.60 -0.06 0.00 0.00 0.00 0.00 36.38 31.70 2rpi s VAL 48 CO -0.02 -1.05 2.13 -0.67 0.00 0.00 0.00 175.10 175.49 2rpi n ASP 49 N 7.82 3.67 -4.58 3.32 -0.08 0.29 -0.82 116.55 126.17 2rpi n ASP 49 Ca 0.10 -2.71 -0.41 0.00 -1.51 0.00 0.00 54.79 50.26 2rpi n ASP 49 Cb 0.49 -1.36 -0.03 0.00 2.34 0.00 0.00 41.12 42.56 2rpi n ASP 49 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2rpi s LEU 50 N 1.43 3.43 -0.48 -2.67 0.20 -0.78 -3.50 118.68 116.31 2rpi s LEU 50 Ca 0.52 1.31 -0.22 0.00 0.69 0.00 0.00 54.13 56.43 2rpi s LEU 50 Cb 0.14 -3.13 0.04 0.00 -0.43 0.00 0.00 46.19 42.81 2rpi s LEU 50 CO 0.01 -2.18 0.76 -0.31 -0.29 0.00 0.00 176.35 174.34 2rpi s TYR 51 N 8.98 2.97 -0.26 5.38 2.02 0.04 -1.27 117.35 135.21 2rpi s TYR 51 Ca 0.89 -0.08 0.01 0.00 -0.37 0.00 0.00 57.07 57.52 2rpi s TYR 51 Cb -0.23 -3.66 0.05 0.00 -0.40 0.00 0.00 41.96 37.72 2rpi s TYR 51 CO 0.30 -1.06 -0.09 -0.08 -1.57 0.00 0.00 175.55 173.05 2rpi s THR 52 N 3.20 2.39 -0.52 -0.71 -1.32 -0.82 -1.51 115.64 116.35 2rpi s THR 52 Ca 0.25 -1.48 -0.02 0.00 -1.21 0.00 0.00 61.69 59.23 2rpi s THR 52 Cb -0.14 -2.35 0.34 0.00 -1.51 0.00 0.00 72.50 68.83 2rpi s THR 52 CO 0.19 0.02 2.05 -0.90 -2.21 0.00 0.00 174.62 173.77 2rpi n ASP 53 N 4.50 7.16 -4.93 8.08 5.75 -1.26 -3.57 116.55 132.28 2rpi n ASP 53 Ca -0.15 -3.47 -0.25 0.00 -0.01 0.00 0.00 54.79 50.91 2rpi n ASP 53 Cb 0.43 -1.02 -0.03 0.00 -1.03 0.00 0.00 41.12 39.47 2rpi n ASP 53 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2rpi s SER 54 N -0.91 6.20 0.00 -1.12 0.01 -1.26 -4.91 113.70 111.71 2rpi s SER 54 Ca 0.50 0.09 0.19 0.00 1.31 0.00 0.00 55.95 58.05 2rpi s SER 54 Cb 0.39 -1.82 0.53 0.00 0.21 0.00 0.00 66.02 65.33 2rpi s SER 54 CO -0.03 0.02 1.43 1.41 0.41 0.00 0.00 173.24 176.49 2rpi n HIS 55 N -0.76 0.55 -0.05 2.43 8.25 -1.26 -3.72 115.22 120.66 2rpi n HIS 55 Ca -0.08 -0.28 -0.09 0.00 -0.26 0.00 0.00 57.72 57.01 2rpi n HIS 55 Cb 0.55 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.63 2rpi n HIS 55 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2rpi n TYR 56 N 1.04 0.00 -0.21 4.41 9.36 -1.26 -4.03 117.16 126.47 2rpi n TYR 56 Ca 0.18 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.33 2rpi n TYR 56 Cb 0.47 -0.33 0.03 0.00 -0.63 0.00 0.00 39.34 38.88 2rpi n TYR 56 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2rpi h LEU 57 N -0.28 0.78 0.33 2.98 4.07 -1.93 -2.32 115.31 118.95 2rpi h LEU 57 Ca -0.23 -0.15 -0.02 0.00 0.08 0.00 0.00 57.88 57.57 2rpi h LEU 57 Cb 1.22 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.76 2rpi h LEU 57 CO -0.13 0.71 -0.16 0.50 -1.08 0.00 0.00 178.44 178.29 2rpi h LYS 58 N 0.80 -0.43 -0.97 1.13 3.64 -1.84 -2.59 116.57 116.32 2rpi h LYS 58 Ca 0.20 0.03 0.22 0.00 -1.27 0.00 0.00 60.65 59.82 2rpi h LYS 58 Cb 0.15 0.10 -0.18 0.00 -0.41 0.00 0.00 32.23 31.88 2rpi h LYS 58 CO -0.02 -0.10 -0.15 -0.22 -2.27 0.00 0.00 179.45 176.69 2rpi h LYS 59 N -0.91 0.01 0.27 1.90 3.64 -1.68 0.73 116.57 120.53 2rpi h LYS 59 Ca -0.05 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 2rpi h LYS 59 Cb 0.52 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2rpi h LYS 59 CO 0.07 0.00 -0.13 0.00 -2.27 0.00 0.00 179.45 177.13 2rpi h ALA 60 N 1.96 -0.71 -0.55 5.00 0.00 -1.45 -2.55 119.26 120.96 2rpi h ALA 60 Ca 0.50 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.42 2rpi h ALA 60 Cb 0.86 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.72 2rpi h ALA 60 CO -0.96 -0.69 0.18 0.35 0.00 0.00 0.00 179.25 178.12 2rpi h PHE 61 N -0.53 0.30 0.00 0.00 3.04 -1.01 -0.44 116.94 118.30 2rpi h PHE 61 Ca -0.04 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.92 2rpi h PHE 61 Cb 0.28 -0.05 -0.00 0.00 2.56 0.00 0.00 35.95 38.73 2rpi h PHE 61 CO 0.08 0.06 -0.13 1.79 -2.02 0.00 0.00 178.31 178.10 2rpi h THR 62 N 0.34 0.86 -0.00 4.41 1.35 0.35 0.13 112.91 120.36 2rpi h THR 62 Ca 0.28 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 2rpi h THR 62 Cb 0.35 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 2rpi h THR 62 CO -0.30 0.12 -0.05 -0.62 -0.25 0.00 0.00 175.52 174.42 2rpi n GLU 63 N -4.06 0.24 -0.48 4.72 1.02 -0.24 -4.87 120.64 116.96 2rpi n GLU 63 Ca -0.02 -0.03 -0.01 0.00 -0.02 0.00 0.00 57.16 57.07 2rpi n GLU 63 Cb 0.21 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.12 2rpi n GLU 63 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rpi n GLY 64 N 1.40 0.13 0.01 0.62 0.00 0.46 -4.66 105.19 103.14 2rpi n GLY 64 Ca 0.10 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.15 2rpi n GLY 64 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2rpi n TRP 65 N -0.77 0.01 0.07 1.61 2.14 -1.25 -3.47 117.44 115.77 2rpi n TRP 65 Ca -0.01 -0.00 0.03 0.00 2.07 0.00 0.00 57.50 59.59 2rpi n TRP 65 Cb 0.16 0.00 0.43 0.00 -0.81 0.00 0.00 31.31 31.09 2rpi n TRP 65 CO 0.00 0.00 0.00 1.25 2.07 0.00 0.00 177.69 181.01 2rpi h LEU 66 N 0.04 0.34 -0.08 5.67 6.46 -1.83 0.61 115.31 126.53 2rpi h LEU 66 Ca 0.00 -0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.72 2rpi h LEU 66 Cb 0.01 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 39.85 2rpi h LEU 66 CO 0.00 0.34 0.01 -0.08 -0.62 0.00 0.00 178.44 178.09 2rpi h GLU 67 N 0.38 0.13 -0.71 1.25 4.81 -1.96 -2.53 114.58 115.95 2rpi h GLU 67 Ca 0.09 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.36 2rpi h GLU 67 Cb 0.12 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.43 2rpi h GLU 67 CO -0.01 0.37 0.39 0.78 -0.73 0.00 0.00 179.01 179.81 2rpi h GLY 68 N -0.12 1.06 -0.73 1.92 0.00 -1.32 -1.51 103.07 102.36 2rpi h GLY 68 Ca 0.02 -0.27 0.12 0.00 0.00 0.00 0.00 47.33 47.20 2rpi h GLY 68 CO 0.00 0.15 -0.41 1.49 0.00 0.00 0.00 176.54 177.77 2rpi h TRP 69 N 0.71 -1.18 -0.77 5.60 4.06 0.57 1.93 115.95 126.88 2rpi h TRP 69 Ca 0.33 0.09 0.11 0.00 2.06 0.00 0.00 58.89 61.48 2rpi h TRP 69 Cb 0.23 0.63 -0.08 0.00 -1.00 0.00 0.00 29.16 28.94 2rpi h TRP 69 CO -0.08 -0.40 0.38 0.00 -3.56 0.00 0.00 178.44 174.79 2rpi h ARG 70 N -0.10 0.59 -0.00 0.49 3.08 -1.03 0.40 114.38 117.82 2rpi h ARG 70 Ca 0.26 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.27 2rpi h ARG 70 Cb 0.56 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2rpi h ARG 70 CO -0.84 0.39 -0.04 1.63 -1.07 0.00 0.00 179.97 180.05 2rpi n LYS 71 N -4.87 0.21 -0.35 0.04 4.01 0.21 -3.13 118.16 114.29 2rpi n LYS 71 Ca 0.13 -0.02 0.11 0.00 -0.51 0.00 0.00 58.31 58.02 2rpi n LYS 71 Cb 0.33 -1.50 0.30 0.00 -0.51 0.00 0.00 35.03 33.65 2rpi n LYS 71 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2rpi n ARG 72 N -1.38 2.58 -0.76 1.97 1.74 0.59 -4.90 116.66 116.51 2rpi n ARG 72 Ca 0.10 -2.42 0.00 0.00 -0.77 0.00 0.00 57.85 54.76 2rpi n ARG 72 Cb 0.30 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 2rpi n ARG 72 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2rpi n GLY 73 N 1.56 0.01 1.93 -0.13 0.00 -0.88 -3.61 105.19 104.06 2rpi n GLY 73 Ca 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.24 2rpi n GLY 73 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2rpi n TRP 74 N -2.01 -1.37 -4.30 1.61 7.02 -0.84 -5.04 117.44 112.52 2rpi n TRP 74 Ca 0.00 0.60 -0.17 0.00 -1.02 0.00 0.00 57.50 56.90 2rpi n TRP 74 Cb 0.25 -2.39 -0.09 0.00 -2.42 0.00 0.00 31.31 26.66 2rpi n TRP 74 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2rpi s ARG 75 N -0.77 1.50 0.52 -0.99 3.00 -1.24 -3.91 118.95 117.05 2rpi s ARG 75 Ca 0.02 -1.84 -0.04 0.00 0.00 0.00 0.00 55.73 53.87 2rpi s ARG 75 Cb -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 34.95 34.89 2rpi s ARG 75 CO 0.27 -0.42 0.81 0.95 0.00 0.00 0.00 175.30 176.91 2rpi s THR 76 N -3.73 4.28 -0.25 0.02 -4.23 0.82 -4.65 115.64 107.89 2rpi s THR 76 Ca 0.37 -0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.94 2rpi s THR 76 Cb 0.06 -3.64 0.07 0.00 1.34 0.00 0.00 72.50 70.32 2rpi s THR 76 CO 0.16 -0.61 1.04 0.00 -0.54 0.00 0.00 174.62 174.67 2rpi n ALA 77 N -2.35 0.58 -0.10 3.99 0.00 -1.26 -0.37 120.51 121.00 2rpi n ALA 77 Ca 0.02 0.06 -0.11 0.00 0.00 0.00 0.00 53.44 53.41 2rpi n ALA 77 Cb 0.56 -0.66 -0.13 0.00 0.00 0.00 0.00 19.45 19.22 2rpi n ALA 77 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2rpi n GLU 78 N -1.68 0.94 0.00 0.00 2.13 -1.26 -4.99 120.64 115.77 2rpi n GLU 78 Ca -0.00 0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.86 2rpi n GLU 78 Cb 0.28 -1.45 0.00 0.00 0.27 0.00 0.00 31.44 30.54 2rpi n GLU 78 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2rpi n GLY 79 N 2.10 0.85 3.89 8.31 0.00 0.50 -5.14 105.19 115.70 2rpi n GLY 79 Ca -0.32 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 2rpi n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rpi s LYS 80 N 0.00 3.53 0.72 1.61 1.02 -1.26 -4.69 119.74 120.68 2rpi s LYS 80 Ca 0.00 -0.17 -0.16 0.00 0.02 0.00 0.00 55.97 55.65 2rpi s LYS 80 Cb 0.00 -3.07 -0.06 0.00 -0.52 0.00 0.00 37.83 34.18 2rpi s LYS 80 CO 0.00 0.65 0.36 -2.30 -0.92 0.00 0.00 175.35 173.14 2rpi n PRO 81 N 0.98 0.23 -3.20 -1.68 -0.02 -1.26 0.28 135.00 130.33 2rpi n PRO 81 Ca -0.10 0.11 -0.39 0.00 -2.02 0.00 0.00 63.50 61.10 2rpi n PRO 81 Cb 0.53 -1.68 -0.06 0.00 -0.02 0.00 0.00 33.50 32.27 2rpi n PRO 81 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2rpi s VAL 82 N -1.94 4.80 0.28 -1.45 1.01 -1.25 -4.35 120.40 117.50 2rpi s VAL 82 Ca 0.62 1.29 -0.13 0.00 0.00 0.00 0.00 61.98 63.77 2rpi s VAL 82 Cb -0.35 -3.94 -0.08 0.00 0.00 0.00 0.00 36.38 32.00 2rpi s VAL 82 CO 0.61 0.47 0.66 -0.54 0.00 0.00 0.00 175.10 176.30 2rpi s LYS 83 N -0.58 3.91 0.00 2.72 -0.14 -1.26 -3.73 119.74 120.66 2rpi s LYS 83 Ca 0.31 0.50 0.00 0.00 -1.36 0.00 0.00 55.97 55.42 2rpi s LYS 83 Cb -0.19 -2.52 0.00 0.00 -1.68 0.00 0.00 37.83 33.44 2rpi s LYS 83 CO 0.19 0.22 0.00 0.09 -0.76 0.00 0.00 175.35 175.09 2rpi n ASN 84 N -0.28 -2.56 0.16 2.83 5.03 -1.26 -4.82 115.26 114.37 2rpi n ASN 84 Ca 0.02 0.00 0.13 0.00 0.87 0.00 0.00 54.58 55.61 2rpi n ASN 84 Cb 0.53 -1.71 0.40 0.00 -1.02 0.00 0.00 39.78 37.98 2rpi n ASN 84 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.26 175.51 2rpi h ARG 85 N 0.91 0.00 0.13 3.52 -0.00 -1.99 1.19 114.38 118.14 2rpi h ARG 85 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 59.98 59.74 2rpi h ARG 85 Cb 0.29 0.00 0.03 0.00 -0.00 0.00 0.00 29.97 30.28 2rpi h ARG 85 CO 0.00 0.00 -1.01 0.22 -0.00 0.00 0.00 179.97 179.18 2rpi h ASP 86 N 0.00 0.66 -0.26 0.08 3.58 -1.90 -0.32 116.42 118.26 2rpi h ASP 86 Ca 0.15 -0.88 -0.08 0.00 0.42 0.00 0.00 57.03 56.65 2rpi h ASP 86 Cb 1.81 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 42.64 2rpi h ASP 86 CO -0.00 1.48 -0.14 -0.07 -2.88 0.00 0.00 179.24 177.63 2rpi h LEU 87 N -0.06 0.58 0.79 2.28 3.38 0.94 -2.40 115.31 120.82 2rpi h LEU 87 Ca -0.16 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.35 2rpi h LEU 87 Cb 1.75 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 42.35 2rpi h LEU 87 CO 0.19 0.87 -0.38 -0.50 0.09 0.00 0.00 178.44 178.72 2rpi h TRP 88 N 0.29 -0.98 -0.95 1.13 4.06 -1.03 1.10 115.95 119.57 2rpi h TRP 88 Ca 0.06 -0.02 0.27 0.00 2.06 0.00 0.00 58.89 61.26 2rpi h TRP 88 Cb 0.66 0.32 -0.04 0.00 -1.00 0.00 0.00 29.16 29.11 2rpi h TRP 88 CO 0.06 -0.61 0.70 0.93 -3.56 0.00 0.00 178.44 175.96 2rpi h GLU 89 N -1.13 0.00 0.11 0.49 5.08 -1.11 1.51 114.58 119.52 2rpi h GLU 89 Ca -0.11 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.02 2rpi h GLU 89 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2rpi h GLU 89 CO 0.18 0.00 -1.18 0.00 -1.00 0.00 0.00 179.01 177.01 2rpi h ALA 90 N 1.50 0.10 -0.64 3.43 0.00 -1.11 -2.54 119.26 120.00 2rpi h ALA 90 Ca 0.45 -0.96 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 2rpi h ALA 90 Cb 1.84 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 19.97 2rpi h ALA 90 CO -0.00 0.66 0.27 1.25 0.00 0.00 0.00 179.25 181.42 2rpi h LEU 91 N -0.40 0.85 -0.42 0.00 6.46 0.34 0.44 115.31 122.58 2rpi h LEU 91 Ca -0.25 -0.11 -0.08 0.00 -0.12 0.00 0.00 57.88 57.32 2rpi h LEU 91 Cb 1.66 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 41.36 2rpi h LEU 91 CO 0.06 0.75 -0.04 0.25 -0.62 0.00 0.00 178.44 178.84 2rpi h LEU 92 N 0.92 0.76 -0.78 2.25 5.85 0.19 0.67 115.31 125.17 2rpi h LEU 92 Ca 0.22 -0.33 -0.12 0.00 0.84 0.00 0.00 57.88 58.49 2rpi h LEU 92 Cb 0.16 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2rpi h LEU 92 CO -0.02 0.91 -0.34 -0.07 -0.34 0.00 0.00 178.44 178.58 2rpi h LEU 93 N 0.60 0.55 0.00 2.25 3.38 -0.98 -2.30 115.31 118.80 2rpi h LEU 93 Ca 0.11 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2rpi h LEU 93 Cb 0.55 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2rpi h LEU 93 CO 0.03 0.85 -0.02 0.00 0.09 0.00 0.00 178.44 179.39 2rpi n ALA 94 N -2.49 2.31 1.29 1.53 0.00 0.15 -3.28 120.51 120.02 2rpi n ALA 94 Ca -0.01 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.52 2rpi n ALA 94 Cb 0.47 -1.46 0.35 0.00 0.00 0.00 0.00 19.45 18.81 2rpi n ALA 94 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2rpi n MET 95 N -2.22 1.58 -0.01 0.00 2.81 0.23 -4.27 117.12 115.25 2rpi n MET 95 Ca 0.06 -1.07 -0.13 0.00 -1.81 0.00 0.00 57.70 54.75 2rpi n MET 95 Cb 0.43 -1.48 -0.10 0.00 -0.71 0.00 0.00 33.22 31.36 2rpi n MET 95 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2rpi h ALA 96 N 4.24 0.00 -0.44 3.04 0.00 -1.50 -3.25 119.26 121.35 2rpi h ALA 96 Ca 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2rpi h ALA 96 Cb 0.63 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2rpi h ALA 96 CO 0.00 -0.28 0.14 -1.35 0.00 0.00 0.00 179.25 177.76 2rpi h PRO 97 N -0.43 0.65 -6.85 0.00 0.11 -1.80 -3.44 132.00 120.24 2rpi h PRO 97 Ca 0.00 -0.10 -0.47 0.00 0.11 0.00 0.00 66.00 65.54 2rpi h PRO 97 Cb 0.44 -0.11 0.04 0.00 0.11 0.00 0.00 31.00 31.47 2rpi h PRO 97 CO 0.00 0.57 0.01 -1.01 -0.21 0.00 0.00 178.00 177.36 2rpi s HIS 98 N -5.22 3.31 -2.94 0.65 3.76 -1.23 -4.59 115.29 109.04 2rpi s HIS 98 Ca -0.09 0.46 0.24 0.00 -0.15 0.00 0.00 55.06 55.53 2rpi s HIS 98 Cb 0.16 -2.40 0.25 0.00 1.11 0.00 0.00 32.58 31.70 2rpi s HIS 98 CO 0.77 -0.44 1.30 0.54 -0.85 0.00 0.00 174.74 176.05 2rpi n ARG 99 N -2.24 2.31 0.00 1.40 3.00 -1.20 -4.94 116.66 115.00 2rpi n ARG 99 Ca 0.02 -1.90 0.00 0.00 -0.01 0.00 0.00 57.85 55.95 2rpi n ARG 99 Cb 0.57 -1.46 0.00 0.00 0.00 0.00 0.00 32.46 31.57 2rpi n ARG 99 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 2rpi n VAL 100 N 1.30 0.00 -3.53 1.55 3.14 -1.21 -4.79 118.33 114.78 2rpi n VAL 100 Ca 0.15 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.20 2rpi n VAL 100 Cb 0.59 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.32 2rpi n VAL 100 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 2rpi s ARG 101 N 0.00 3.75 -0.17 1.45 0.52 0.00 -4.87 118.95 119.63 2rpi s ARG 101 Ca 0.00 0.16 -0.05 0.00 -0.52 0.00 0.00 55.73 55.32 2rpi s ARG 101 Cb 0.00 -2.84 -0.03 0.00 0.52 0.00 0.00 34.95 32.60 2rpi s ARG 101 CO 0.00 0.45 -0.01 -0.06 0.02 0.00 0.00 175.30 175.70 2rpi s PHE 102 N -1.61 3.06 -0.40 -0.53 0.40 -1.26 -1.87 117.98 115.77 2rpi s PHE 102 Ca 0.40 -0.30 0.01 0.00 -0.60 0.00 0.00 56.93 56.45 2rpi s PHE 102 Cb -0.13 -2.02 0.14 0.00 0.51 0.00 0.00 43.02 41.52 2rpi s PHE 102 CO 0.21 -0.08 0.22 -1.01 0.70 0.00 0.00 175.22 175.27 2rpi s HIS 103 N 0.58 1.45 -0.69 0.36 3.76 -0.39 -4.95 115.29 115.41 2rpi s HIS 103 Ca -0.01 -2.08 -0.26 0.00 -0.15 0.00 0.00 55.06 52.56 2rpi s HIS 103 Cb -0.14 -1.48 -0.04 0.00 1.11 0.00 0.00 32.58 32.03 2rpi s HIS 103 CO 0.02 -0.80 1.97 -0.06 -0.85 0.00 0.00 174.74 175.02 2rpi s PHE 104 N 0.67 1.61 -1.17 1.40 0.08 -1.26 -1.94 117.98 117.37 2rpi s PHE 104 Ca 0.18 0.89 -0.11 0.00 0.12 0.00 0.00 56.93 58.01 2rpi s PHE 104 Cb -0.24 -3.99 0.22 0.00 -0.57 0.00 0.00 43.02 38.45 2rpi s PHE 104 CO 0.00 -2.14 1.36 0.28 -0.10 0.00 0.00 175.22 174.62 2rpi n VAL 105 N 7.56 4.47 0.48 -0.44 0.31 -1.23 -4.94 118.33 124.54 2rpi n VAL 105 Ca 0.29 -5.05 0.06 0.00 -0.01 0.00 0.00 64.34 59.62 2rpi n VAL 105 Cb 0.51 -2.48 0.05 0.00 -0.91 0.00 0.00 33.84 31.01 2rpi n VAL 105 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80