#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1myp n PRO 2 N 0.00 -0.53 0.00 0.00 -0.05 -1.26 -5.05 135.00 128.10 1myp n PRO 2 Ca 0.00 -0.21 0.00 0.00 -0.05 0.00 0.00 63.50 63.24 1myp n PRO 2 Cb 0.00 -0.16 0.00 0.00 -0.05 0.00 0.00 33.50 33.29 1myp n PRO 2 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 175.50 173.54 1myp n GLU 3 N -1.51 0.00 -3.11 0.54 2.13 -1.26 -4.83 120.64 112.61 1myp n GLU 3 Ca 0.02 0.11 -0.23 0.00 0.66 0.00 0.00 57.16 57.72 1myp n GLU 3 Cb 0.06 -0.59 -0.04 0.00 0.27 0.00 0.00 31.44 31.14 1myp n GLU 3 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1myp n GLN 4 N -2.31 1.92 -1.69 5.31 6.02 -1.26 -5.13 117.38 120.26 1myp n GLN 4 Ca 0.00 -4.03 -0.57 0.00 -0.01 0.00 0.00 57.00 52.39 1myp n GLN 4 Cb 0.00 -1.91 -0.07 0.00 1.02 0.00 0.00 30.24 29.28 1myp n GLN 4 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1myp n ASP 5 N 0.23 2.37 0.08 1.08 5.75 -1.26 -4.78 116.55 120.01 1myp n ASP 5 Ca 0.27 1.02 0.04 0.00 -0.01 0.00 0.00 54.79 56.11 1myp n ASP 5 Cb 0.53 -1.15 -0.03 0.00 -1.03 0.00 0.00 41.12 39.44 1myp n ASP 5 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 1myp h LYS 6 N 7.67 0.00 -4.66 0.11 1.63 -2.03 -3.47 116.57 115.81 1myp h LYS 6 Ca -0.44 0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 59.09 1myp h LYS 6 Cb 1.32 0.00 -0.15 0.00 -0.60 0.00 0.00 32.23 32.80 1myp h LYS 6 CO 0.97 0.23 -0.64 0.71 -3.45 0.00 0.00 179.45 177.28 1myp s TYR 7 N -3.06 1.18 0.93 1.91 2.02 -1.26 -5.14 117.35 113.93 1myp s TYR 7 Ca -0.01 -1.21 -0.13 0.00 -0.37 0.00 0.00 57.07 55.36 1myp s TYR 7 Cb 0.08 -0.65 0.15 0.00 -0.40 0.00 0.00 41.96 41.14 1myp s TYR 7 CO 0.79 -0.44 1.14 1.03 -1.57 0.00 0.00 175.55 176.50 1myp s ARG 8 N -4.04 1.01 0.00 -0.62 0.52 -1.26 -5.07 118.95 109.49 1myp s ARG 8 Ca 0.31 0.28 0.00 0.00 -0.52 0.00 0.00 55.73 55.80 1myp s ARG 8 Cb 0.07 -1.83 0.00 0.00 0.52 0.00 0.00 34.95 33.72 1myp s ARG 8 CO 0.08 -2.28 0.00 -2.37 0.02 0.00 0.00 175.30 170.74 1myp n THR 9 N -3.82 0.00 0.00 0.02 5.66 -1.26 -5.04 114.28 109.84 1myp n THR 9 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 1myp n THR 9 Cb 0.59 -1.71 0.00 0.00 -1.55 0.00 0.00 70.33 67.66 1myp n THR 9 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1myp n ILE 10 N 0.00 0.00 0.89 1.09 3.06 -1.26 -4.65 119.36 118.48 1myp n ILE 10 Ca 0.00 0.00 0.13 0.00 -2.50 0.00 0.00 62.75 60.38 1myp n ILE 10 Cb 0.00 -0.23 0.34 0.00 0.54 0.00 0.00 39.64 40.29 1myp n ILE 10 CO 0.00 0.00 0.00 1.07 -2.50 0.00 0.00 176.55 175.12 1myp n THR 11 N -1.84 0.11 -0.95 9.51 5.66 -1.26 -4.94 114.28 120.57 1myp n THR 11 Ca 0.00 -0.08 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 1myp n THR 11 Cb 0.21 -0.08 0.00 0.00 -1.55 0.00 0.00 70.33 68.91 1myp n THR 11 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1myp n GLY 12 N 1.45 0.46 0.55 1.09 0.00 -1.26 -1.37 105.19 106.12 1myp n GLY 12 Ca 0.05 -0.58 0.33 0.00 0.00 0.00 0.00 46.02 45.83 1myp n GLY 12 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1myp h MET 13 N 0.51 0.00 -0.56 1.61 4.05 -1.92 -3.31 114.93 115.31 1myp h MET 13 Ca 0.00 0.00 -0.27 0.00 -0.28 0.00 0.00 59.70 59.15 1myp h MET 13 Cb 0.00 0.00 -0.38 0.00 -0.80 0.00 0.00 31.60 30.42 1myp h MET 13 CO 0.00 0.00 -1.07 0.00 0.23 0.00 0.00 176.91 176.07 1myp h ASN 15 N 2.61 0.86 -2.67 0.00 -1.24 -1.77 -3.38 115.58 109.98 1myp h ASN 15 Ca -0.15 -0.81 -0.65 0.00 0.71 0.00 0.00 56.30 55.40 1myp h ASN 15 Cb 1.25 -0.27 -0.16 0.00 0.73 0.00 0.00 38.32 39.87 1myp h ASN 15 CO 0.24 1.57 0.49 0.21 -1.29 0.00 0.00 177.43 178.66 1myp s ASN 16 N -7.35 6.22 0.53 1.15 2.47 -1.26 -4.89 114.94 111.82 1myp s ASN 16 Ca -0.10 -1.18 0.36 0.00 0.42 0.00 0.00 52.86 52.36 1myp s ASN 16 Cb 0.05 -2.39 1.90 0.00 -1.45 0.00 0.00 41.25 39.36 1myp s ASN 16 CO 0.92 -1.34 2.10 0.03 -3.72 0.00 0.00 177.10 175.08 1myp h ARG 17 N 9.42 0.00 0.09 0.43 3.08 -1.94 -2.70 114.38 122.77 1myp h ARG 17 Ca -0.24 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.49 1myp h ARG 17 Cb 1.07 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 1myp h ARG 17 CO 1.16 0.00 -1.71 0.00 -1.07 0.00 0.00 179.97 178.35 1myp h ARG 18 N 0.00 0.19 -2.33 0.04 3.08 -1.94 -3.41 114.38 110.01 1myp h ARG 18 Ca 0.00 -0.33 -0.60 0.00 0.07 0.00 0.00 59.98 59.12 1myp h ARG 18 Cb 0.06 0.12 -0.41 0.00 0.08 0.00 0.00 29.97 29.82 1myp h ARG 18 CO 0.00 1.16 -0.69 0.45 -1.07 0.00 0.00 179.97 179.82 1myp n SER 19 N -3.81 2.84 -0.33 7.04 2.88 -1.22 -5.01 113.62 116.02 1myp n SER 19 Ca -0.31 -3.23 0.24 0.00 -1.33 0.00 0.00 58.87 54.24 1myp n SER 19 Cb 0.93 -0.68 0.47 0.00 -0.75 0.00 0.00 64.21 64.18 1myp n SER 19 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1myp h PRO 20 N 4.43 0.18 -0.02 -1.46 0.11 -1.72 0.30 132.00 133.83 1myp h PRO 20 Ca 0.17 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.28 1myp h PRO 20 Cb 0.72 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.79 1myp h PRO 20 CO 0.73 0.12 0.02 0.00 -0.21 0.00 0.00 178.00 178.66 1myp h THR 21 N 0.19 0.59 -2.23 -1.15 1.03 -1.85 -3.26 112.91 106.22 1myp h THR 21 Ca 0.73 0.00 -0.57 0.00 -0.01 0.00 0.00 66.41 66.57 1myp h THR 21 Cb 1.74 0.99 0.02 0.00 -1.07 0.00 0.00 68.15 69.83 1myp h THR 21 CO -0.69 0.00 1.14 -0.11 -0.01 0.00 0.00 175.52 175.85 1myp n LEU 22 N -3.94 3.80 0.00 0.00 -0.00 0.09 -2.00 117.00 114.94 1myp n LEU 22 Ca -0.03 0.95 0.00 0.00 -0.00 0.00 0.00 56.01 56.94 1myp n LEU 22 Cb 0.10 -1.46 0.00 0.00 -0.00 0.00 0.00 43.42 42.07 1myp n LEU 22 CO 0.28 0.07 0.00 0.61 -0.00 0.00 0.00 177.39 178.35 1myp n GLY 23 N 4.39 2.08 3.40 -3.96 0.00 -1.26 -4.48 105.19 105.35 1myp n GLY 23 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 1myp n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1myp n ALA 24 N -1.05 -3.32 -2.47 4.61 0.00 -0.85 -4.92 120.51 112.51 1myp n ALA 24 Ca 0.00 -1.19 -0.38 0.00 0.00 0.00 0.00 53.44 51.87 1myp n ALA 24 Cb 0.00 -1.82 -0.06 0.00 0.00 0.00 0.00 19.45 17.57 1myp n ALA 24 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1myp s SER 25 N -2.19 6.89 -0.98 0.00 0.15 -0.47 -4.34 113.70 112.77 1myp s SER 25 Ca 0.64 1.06 0.00 0.00 0.70 0.00 0.00 55.95 58.35 1myp s SER 25 Cb -0.20 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1myp s SER 25 CO 0.65 0.20 0.00 0.59 1.20 0.00 0.00 173.24 175.89 1myp n ASN 26 N 2.34 -3.79 -4.61 5.45 3.02 -1.26 -5.03 115.26 111.38 1myp n ASN 26 Ca -0.10 0.10 -0.24 0.00 -0.03 0.00 0.00 54.58 54.31 1myp n ASN 26 Cb 0.51 -2.70 -0.08 0.00 -0.61 0.00 0.00 39.78 36.90 1myp n ASN 26 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1myp s ARG 27 N -3.85 2.10 0.70 3.52 1.81 -1.26 -5.13 118.95 116.84 1myp s ARG 27 Ca 0.00 -1.62 -0.09 0.00 -1.72 0.00 0.00 55.73 52.30 1myp s ARG 27 Cb 0.00 -2.00 0.04 0.00 -0.45 0.00 0.00 34.95 32.54 1myp s ARG 27 CO 0.00 0.25 1.04 0.00 -0.68 0.00 0.00 175.30 175.91 1myp s ALA 28 N -2.44 3.02 0.89 2.13 0.00 -1.26 -5.06 121.76 119.03 1myp s ALA 28 Ca 0.33 -0.67 -0.11 0.00 0.00 0.00 0.00 51.96 51.51 1myp s ALA 28 Cb -0.03 -2.78 0.13 0.00 0.00 0.00 0.00 23.12 20.43 1myp s ALA 28 CO 0.19 -1.22 1.11 -0.06 0.00 0.00 0.00 175.76 175.77 1myp s PHE 29 N -3.28 2.05 0.17 0.00 0.08 -1.26 -5.04 117.98 110.70 1myp s PHE 29 Ca 0.59 1.55 0.05 0.00 0.12 0.00 0.00 56.93 59.23 1myp s PHE 29 Cb -0.11 -3.18 -0.04 0.00 -0.57 0.00 0.00 43.02 39.12 1myp s PHE 29 CO 0.47 -2.50 0.14 0.08 -0.10 0.00 0.00 175.22 173.31 1myp s VAL 30 N -2.77 4.46 -0.32 -0.44 1.01 -1.26 -5.08 120.40 116.00 1myp s VAL 30 Ca 0.64 -1.11 0.02 0.00 0.00 0.00 0.00 61.98 61.53 1myp s VAL 30 Cb -0.20 -3.29 0.10 0.00 0.00 0.00 0.00 36.38 32.99 1myp s VAL 30 CO 0.58 -0.12 0.07 -0.60 0.00 0.00 0.00 175.10 175.02 1myp s ARG 31 N -3.15 1.16 0.00 2.72 6.06 -1.26 -4.99 118.95 119.50 1myp s ARG 31 Ca 0.31 -1.52 0.14 0.00 -2.50 0.00 0.00 55.73 52.16 1myp s ARG 31 Cb -0.10 -2.68 0.85 0.00 0.06 0.00 0.00 34.95 33.08 1myp s ARG 31 CO 0.23 -0.95 1.27 0.91 -2.50 0.00 0.00 175.30 174.27 1myp n TRP 32 N 4.51 0.00 -3.65 5.12 8.01 -1.26 -4.67 117.44 125.51 1myp n TRP 32 Ca 0.01 0.00 -0.13 0.00 -1.31 0.00 0.00 57.50 56.07 1myp n TRP 32 Cb 0.42 0.00 -0.07 0.00 -2.01 0.00 0.00 31.31 29.65 1myp n TRP 32 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.69 175.51 1myp s LEU 33 N -1.85 -0.61 1.04 -0.99 2.96 -1.26 -5.17 118.68 112.81 1myp s LEU 33 Ca 0.21 1.37 -0.23 0.00 -0.22 0.00 0.00 54.13 55.26 1myp s LEU 33 Cb 0.10 2.29 -0.08 0.00 0.50 0.00 0.00 46.19 49.01 1myp s LEU 33 CO 0.16 -0.23 -0.86 -2.65 -1.32 0.00 0.00 176.35 171.45 1myp n PRO 34 N 3.00 -0.60 -3.90 0.98 -0.02 -1.26 -4.90 135.00 128.29 1myp n PRO 34 Ca -0.15 -0.17 -0.36 0.00 -2.02 0.00 0.00 63.50 60.81 1myp n PRO 34 Cb 0.56 -1.29 -0.06 0.00 -0.02 0.00 0.00 33.50 32.69 1myp n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1myp s ALA 35 N -2.10 3.89 -0.44 3.55 0.00 -1.26 -5.03 121.76 120.37 1myp s ALA 35 Ca 0.44 -0.69 -0.06 0.00 0.00 0.00 0.00 51.96 51.65 1myp s ALA 35 Cb -0.01 -1.93 0.12 0.00 0.00 0.00 0.00 23.12 21.30 1myp s ALA 35 CO 0.67 0.67 0.28 -1.21 0.00 0.00 0.00 175.76 176.17 1myp s GLU 36 N -1.36 2.25 0.44 0.00 2.02 -1.26 -4.92 118.70 115.88 1myp s GLU 36 Ca 0.19 -1.80 0.06 0.00 0.02 0.00 0.00 54.97 53.45 1myp s GLU 36 Cb -0.12 -3.76 -0.04 0.00 0.10 0.00 0.00 34.13 30.31 1myp s GLU 36 CO 0.09 -1.14 0.18 0.71 0.02 0.00 0.00 175.26 175.12 1myp s TYR 37 N 1.25 2.37 -0.78 1.61 2.02 -1.26 -4.75 117.35 117.81 1myp s TYR 37 Ca 0.07 -0.67 0.26 0.00 -0.37 0.00 0.00 57.07 56.36 1myp s TYR 37 Cb -0.25 -1.90 0.82 0.00 -0.40 0.00 0.00 41.96 40.23 1myp s TYR 37 CO -0.02 0.11 1.74 -0.85 -1.57 0.00 0.00 175.55 174.95 1myp n GLU 38 N -1.30 0.21 -0.03 -0.62 0.28 -0.14 -3.38 120.64 115.66 1myp n GLU 38 Ca -0.04 0.15 -0.02 0.00 -0.16 0.00 0.00 57.16 57.10 1myp n GLU 38 Cb 0.65 -1.73 -0.07 0.00 1.43 0.00 0.00 31.44 31.73 1myp n GLU 38 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1myp n ASP 39 N -2.08 2.91 0.00 -1.84 5.68 -1.26 -4.99 116.55 114.96 1myp n ASP 39 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.35 1myp n ASP 39 Cb 0.41 0.89 0.00 0.00 -1.14 0.00 0.00 41.12 41.28 1myp n ASP 39 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1myp n GLY 40 N 2.35 1.35 0.00 6.12 0.00 -1.22 -4.94 105.19 108.86 1myp n GLY 40 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1myp n GLY 40 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1myp n PHE 41 N -0.03 0.00 -1.88 1.61 -1.74 -1.26 -4.64 117.46 109.52 1myp n PHE 41 Ca 0.00 0.00 -0.03 0.00 -0.56 0.00 0.00 57.45 56.86 1myp n PHE 41 Cb 0.00 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 40.98 1myp n PHE 41 CO 0.00 0.00 0.00 -1.13 -0.56 0.00 0.00 176.76 175.07 1myp n SER 42 N 0.00 -0.52 -3.82 5.98 3.41 -1.26 -5.03 113.62 112.38 1myp n SER 42 Ca 0.00 -1.06 -0.23 0.00 -0.26 0.00 0.00 58.87 57.31 1myp n SER 42 Cb 0.00 0.17 -0.17 0.00 -0.26 0.00 0.00 64.21 63.95 1myp n SER 42 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1myp s LEU 43 N -0.32 0.86 0.08 1.04 1.43 -1.26 -5.00 118.68 115.51 1myp s LEU 43 Ca 0.01 -0.14 -0.37 0.00 -1.03 0.00 0.00 54.13 52.59 1myp s LEU 43 Cb 0.03 -0.54 -0.17 0.00 0.03 0.00 0.00 46.19 45.55 1myp s LEU 43 CO -0.01 -0.15 1.31 -0.81 0.23 0.00 0.00 176.35 176.92 1myp n PRO 44 N 4.90 1.03 -0.36 1.29 -0.05 -1.26 -0.97 135.00 139.59 1myp n PRO 44 Ca -0.11 0.37 0.26 0.00 -0.05 0.00 0.00 63.50 63.96 1myp n PRO 44 Cb 0.50 -2.00 0.51 0.00 -0.05 0.00 0.00 33.50 32.47 1myp n PRO 44 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 175.50 177.33 1myp h TYR 45 N 4.36 0.77 -1.44 0.54 0.05 -1.91 1.37 116.97 120.72 1myp h TYR 45 Ca -0.48 0.03 -0.64 0.00 0.05 0.00 0.00 58.73 57.69 1myp h TYR 45 Cb 1.35 -0.21 -0.23 0.00 1.01 0.00 0.00 36.73 38.64 1myp h TYR 45 CO 0.59 -0.08 0.78 0.41 -1.05 0.00 0.00 178.16 178.81 1myp n GLY 46 N -1.40 5.11 0.00 3.88 0.00 -1.26 -4.67 105.19 106.85 1myp n GLY 46 Ca 0.30 -2.16 -0.00 0.00 0.00 0.00 0.00 46.02 44.16 1myp n GLY 46 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1myp n TRP 47 N -0.10 0.00 -2.94 1.61 -0.00 0.47 -4.95 117.44 111.53 1myp n TRP 47 Ca 0.52 0.00 -0.35 0.00 -0.00 0.00 0.00 57.50 57.67 1myp n TRP 47 Cb 0.42 -0.15 -0.06 0.00 -0.00 0.00 0.00 31.31 31.51 1myp n TRP 47 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 1myp s THR 48 N -1.01 4.42 0.36 5.87 -4.23 -1.26 -5.05 115.64 114.74 1myp s THR 48 Ca -0.00 1.47 -0.11 0.00 -1.18 0.00 0.00 61.69 61.87 1myp s THR 48 Cb 0.00 -3.83 -0.07 0.00 1.34 0.00 0.00 72.50 69.94 1myp s THR 48 CO 0.00 0.03 0.72 -2.16 -0.54 0.00 0.00 174.62 172.68 1myp s PRO 49 N -2.36 3.81 0.00 3.99 0.04 -1.26 -3.25 135.00 135.97 1myp s PRO 49 Ca 0.51 0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1myp s PRO 49 Cb -0.15 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 31.94 1myp s PRO 49 CO 0.20 0.06 0.00 0.41 0.04 0.00 0.00 177.00 177.71 1myp n GLY 50 N -0.97 0.54 3.61 0.56 0.00 -1.26 -4.99 105.19 102.67 1myp n GLY 50 Ca 0.02 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1myp n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1myp s VAL 51 N -2.00 5.15 0.06 1.61 1.01 -1.20 -5.02 120.40 120.01 1myp s VAL 51 Ca 0.00 0.64 -0.14 0.00 0.00 0.00 0.00 61.98 62.48 1myp s VAL 51 Cb 0.00 -3.73 -0.06 0.00 0.00 0.00 0.00 36.38 32.59 1myp s VAL 51 CO 0.00 0.14 0.46 -0.54 0.00 0.00 0.00 175.10 175.17 1myp s LYS 52 N 2.10 3.95 0.01 2.72 -0.14 -1.26 -4.02 119.74 123.09 1myp s LYS 52 Ca 0.16 0.44 -0.09 0.00 -1.36 0.00 0.00 55.97 55.12 1myp s LYS 52 Cb -0.16 -3.12 -0.05 0.00 -1.68 0.00 0.00 37.83 32.82 1myp s LYS 52 CO 0.10 0.62 0.89 -0.09 -0.76 0.00 0.00 175.35 176.10 1myp h ARG 53 N 4.26 -0.31 -0.81 1.68 2.43 -1.23 -3.41 114.38 116.97 1myp h ARG 53 Ca -0.50 0.02 -0.35 0.00 -0.81 0.00 0.00 59.98 58.34 1myp h ARG 53 Cb 1.21 0.07 -0.24 0.00 -0.42 0.00 0.00 29.97 30.59 1myp h ARG 53 CO 0.64 -0.21 -0.73 -1.71 -1.51 0.00 0.00 179.97 176.44 1myp n ASN 54 N -3.09 -1.71 0.00 -3.80 2.85 -1.26 -4.84 115.26 103.40 1myp n ASN 54 Ca -0.04 -3.05 0.00 0.00 -0.11 0.00 0.00 54.58 51.38 1myp n ASN 54 Cb 0.13 0.86 0.00 0.00 1.24 0.00 0.00 39.78 42.01 1myp n ASN 54 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1myp n GLY 55 N 1.60 0.75 3.02 8.20 0.00 -1.26 -5.04 105.19 112.45 1myp n GLY 55 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 1myp n GLY 55 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1myp s PHE 56 N -2.68 0.63 -0.08 1.61 0.08 -1.26 -5.05 117.98 111.23 1myp s PHE 56 Ca 0.00 -0.26 -0.30 0.00 0.12 0.00 0.00 56.93 56.49 1myp s PHE 56 Cb 0.00 -0.39 -0.03 0.00 -0.57 0.00 0.00 43.02 42.02 1myp s PHE 56 CO 0.00 -0.03 1.31 -1.25 -0.10 0.00 0.00 175.22 175.15 1myp s PRO 57 N -0.72 4.28 -0.17 0.24 0.05 -1.26 -0.65 135.00 136.77 1myp s PRO 57 Ca -0.02 1.79 -0.33 0.00 0.05 0.00 0.00 61.00 62.49 1myp s PRO 57 Cb -0.05 -3.67 -0.10 0.00 0.05 0.00 0.00 34.50 30.73 1myp s PRO 57 CO 0.00 -0.60 2.03 0.28 0.05 0.00 0.00 177.00 178.77 1myp n VAL 58 N 4.95 0.45 -2.23 -0.36 0.31 -1.26 -4.91 118.33 115.29 1myp n VAL 58 Ca 0.13 -0.22 -0.41 0.00 -0.01 0.00 0.00 64.34 63.83 1myp n VAL 58 Cb 0.45 -2.01 -0.03 0.00 -0.91 0.00 0.00 33.84 31.34 1myp n VAL 58 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1myp s ALA 59 N 5.79 3.50 0.31 3.52 0.00 -1.26 -4.99 121.76 128.62 1myp s ALA 59 Ca 0.98 1.12 -0.30 0.00 0.00 0.00 0.00 51.96 53.76 1myp s ALA 59 Cb -0.64 -3.45 -0.11 0.00 0.00 0.00 0.00 23.12 18.92 1myp s ALA 59 CO 0.47 -0.50 1.55 -1.17 0.00 0.00 0.00 175.76 176.11 1myp s LEU 60 N -0.83 4.34 0.25 0.00 2.96 -1.26 -4.88 118.68 119.26 1myp s LEU 60 Ca 0.52 2.94 0.03 0.00 -0.22 0.00 0.00 54.13 57.40 1myp s LEU 60 Cb -0.37 -3.64 0.29 0.00 0.50 0.00 0.00 46.19 42.97 1myp s LEU 60 CO 0.43 -0.88 1.60 0.00 -1.32 0.00 0.00 176.35 176.18 1myp h ALA 61 N 4.43 0.91 -0.79 5.97 0.00 -1.99 -0.03 119.26 127.76 1myp h ALA 61 Ca -0.48 -0.48 0.01 0.00 0.00 0.00 0.00 54.91 53.97 1myp h ALA 61 Cb 1.22 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1myp h ALA 61 CO 0.76 0.66 0.52 -0.09 0.00 0.00 0.00 179.25 181.10 1myp h ARG 62 N 0.28 1.03 -0.05 0.00 9.65 -1.99 -0.90 114.38 122.40 1myp h ARG 62 Ca 0.01 -0.06 -0.08 0.00 -1.10 0.00 0.00 59.98 58.75 1myp h ARG 62 Cb 0.97 -0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 29.31 1myp h ARG 62 CO 0.08 0.68 -0.32 0.00 2.80 0.00 0.00 179.97 183.21 1myp h ALA 63 N 1.30 1.37 0.02 2.80 0.00 -1.87 -0.25 119.26 122.63 1myp h ALA 63 Ca 0.29 -0.32 -0.24 0.00 0.00 0.00 0.00 54.91 54.65 1myp h ALA 63 Cb -0.11 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.62 1myp h ALA 63 CO -0.07 0.46 -1.00 -0.39 0.00 0.00 0.00 179.25 178.25 1myp h VAL 64 N 0.08 1.39 -0.26 0.00 -1.51 -0.28 0.23 116.25 115.91 1myp h VAL 64 Ca 0.01 -2.48 0.07 0.00 -1.23 0.00 0.00 66.70 63.07 1myp h VAL 64 Cb 0.62 2.48 -0.01 0.00 -2.13 0.00 0.00 31.29 32.24 1myp h VAL 64 CO 0.05 0.74 0.20 -1.28 -1.23 0.00 0.00 177.57 176.04 1myp h SER 65 N 0.24 0.00 0.18 4.19 0.87 -0.66 0.19 113.55 118.56 1myp h SER 65 Ca -0.10 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.17 1myp h SER 65 Cb 1.64 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.62 1myp h SER 65 CO 0.18 0.00 -1.36 0.78 -0.53 0.00 0.00 176.83 175.89 1myp h ASN 66 N 0.00 0.60 0.43 6.23 -0.26 -0.77 -2.19 115.58 119.62 1myp h ASN 66 Ca 0.12 -0.92 -0.31 0.00 -0.56 0.00 0.00 56.30 54.63 1myp h ASN 66 Cb 0.51 -0.20 -0.00 0.00 -1.06 0.00 0.00 38.32 37.57 1myp h ASN 66 CO -0.00 1.63 -1.54 -0.33 -1.06 0.00 0.00 177.43 176.14 1myp h GLU 67 N -0.09 0.27 0.00 0.81 5.08 0.14 -3.02 114.58 117.78 1myp h GLU 67 Ca -0.26 -0.47 -0.03 0.00 -1.00 0.00 0.00 59.36 57.60 1myp h GLU 67 Cb 1.93 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 31.35 1myp h GLU 67 CO 0.18 1.15 -1.96 -0.89 -1.00 0.00 0.00 179.01 176.48 1myp n ILE 68 N -3.48 0.11 0.10 3.13 5.41 -0.57 -4.52 119.36 119.54 1myp n ILE 68 Ca -0.17 -0.49 -0.23 0.00 1.00 0.00 0.00 62.75 62.86 1myp n ILE 68 Cb 1.05 -0.01 -0.15 0.00 -0.71 0.00 0.00 39.64 39.81 1myp n ILE 68 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 176.55 178.17 1myp h VAL 69 N 0.00 1.25 -2.39 1.39 3.04 -1.46 -3.48 116.25 114.60 1myp h VAL 69 Ca -0.04 -2.60 -0.60 0.00 -1.01 0.00 0.00 66.70 62.45 1myp h VAL 69 Cb 1.04 3.00 0.16 0.00 -2.01 0.00 0.00 31.29 33.48 1myp h VAL 69 CO 0.00 0.79 -0.57 -1.14 -1.01 0.00 0.00 177.57 175.64 1myp n ARG 70 N -3.82 0.41 -3.50 4.17 0.63 -0.84 -5.01 116.66 108.70 1myp n ARG 70 Ca -0.18 0.15 -0.11 0.00 -0.92 0.00 0.00 57.85 56.79 1myp n ARG 70 Cb 1.01 -1.43 -0.03 0.00 0.45 0.00 0.00 32.46 32.46 1myp n ARG 70 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 1myp s PHE 71 N -1.64 -0.43 -0.81 -0.14 5.36 -1.26 -5.05 117.98 114.02 1myp s PHE 71 Ca 0.63 0.44 -0.25 0.00 -0.96 0.00 0.00 56.93 56.79 1myp s PHE 71 Cb -0.55 0.51 0.04 0.00 -0.34 0.00 0.00 43.02 42.68 1myp s PHE 71 CO 0.59 -0.57 1.29 -1.25 -1.46 0.00 0.00 175.22 173.81 1myp s PRO 72 N -2.59 3.29 0.45 10.12 0.04 -1.26 -4.83 135.00 140.22 1myp s PRO 72 Ca 0.01 -0.55 0.36 0.00 0.04 0.00 0.00 61.00 60.86 1myp s PRO 72 Cb -0.01 -4.49 1.24 0.00 0.04 0.00 0.00 34.50 31.28 1myp s PRO 72 CO -0.05 -2.12 1.19 -2.37 0.04 0.00 0.00 177.00 173.68 1myp n THR 73 N 6.44 0.00 0.31 1.26 5.66 -1.26 0.54 114.28 127.24 1myp n THR 73 Ca 0.10 1.14 0.20 0.00 -3.05 0.00 0.00 64.05 62.44 1myp n THR 73 Cb 0.49 -1.92 1.02 0.00 -1.55 0.00 0.00 70.33 68.38 1myp n THR 73 CO 0.00 0.00 0.00 -2.24 -3.05 0.00 0.00 175.07 169.78 1myp h ASP 74 N 0.00 0.00 -1.11 1.09 2.03 -2.07 -3.20 116.42 113.16 1myp h ASP 74 Ca 0.67 0.00 -0.68 0.00 -0.73 0.00 0.00 57.03 56.30 1myp h ASP 74 Cb 2.85 0.00 -0.31 0.00 -0.83 0.00 0.00 39.33 41.05 1myp h ASP 74 CO -0.01 0.02 0.68 0.00 -1.03 0.00 0.00 179.24 178.90 1myp n GLN 75 N -3.24 2.82 -1.19 4.15 6.02 0.19 -5.03 117.38 121.09 1myp n GLN 75 Ca -0.02 -3.44 -0.31 0.00 -0.01 0.00 0.00 57.00 53.22 1myp n GLN 75 Cb 0.14 -2.29 0.11 0.00 1.02 0.00 0.00 30.24 29.23 1myp n GLN 75 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1myp s LEU 76 N -3.83 2.75 -0.22 1.08 0.20 -1.21 -5.02 118.68 112.42 1myp s LEU 76 Ca 0.61 1.74 -0.04 0.00 0.69 0.00 0.00 54.13 57.14 1myp s LEU 76 Cb 0.49 -4.32 0.07 0.00 -0.43 0.00 0.00 46.19 42.00 1myp s LEU 76 CO -0.06 -2.34 0.09 0.28 -0.29 0.00 0.00 176.35 174.03 1myp s THR 77 N -2.89 0.15 0.18 3.68 -1.32 -1.26 -5.09 115.64 109.09 1myp s THR 77 Ca 0.62 -0.53 -0.33 0.00 -1.21 0.00 0.00 61.69 60.24 1myp s THR 77 Cb -0.18 -0.89 -0.13 0.00 -1.51 0.00 0.00 72.50 69.79 1myp s THR 77 CO 0.57 -0.43 1.63 -0.81 -2.21 0.00 0.00 174.62 173.37 1myp n PRO 78 N 5.18 2.41 -2.87 7.08 -0.05 -1.26 -4.87 135.00 140.62 1myp n PRO 78 Ca -0.07 0.87 -0.43 0.00 -0.05 0.00 0.00 63.50 63.82 1myp n PRO 78 Cb 0.46 -2.67 -0.04 0.00 -0.05 0.00 0.00 33.50 31.20 1myp n PRO 78 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 175.50 175.79 1myp s ASP 79 N 1.00 6.35 0.00 3.54 2.15 -1.26 -4.85 116.67 123.59 1myp s ASP 79 Ca 0.77 -0.34 0.31 0.00 0.43 0.00 0.00 52.55 53.72 1myp s ASP 79 Cb -0.61 -2.42 1.60 0.00 -0.30 0.00 0.00 42.92 41.19 1myp s ASP 79 CO 0.36 -1.17 2.08 0.00 -0.17 0.00 0.00 175.17 176.27 1myp n GLN 80 N 7.30 0.64 0.00 4.34 6.02 -1.26 -3.69 117.38 130.73 1myp n GLN 80 Ca 0.02 -0.04 0.06 0.00 -0.01 0.00 0.00 57.00 57.03 1myp n GLN 80 Cb 0.47 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.23 1myp n GLN 80 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1myp n GLU 81 N -1.15 2.11 -3.73 -1.09 4.71 -1.26 -4.99 120.64 115.23 1myp n GLU 81 Ca 0.17 -0.59 -0.13 0.00 -0.01 0.00 0.00 57.16 56.60 1myp n GLU 81 Cb 0.21 -1.13 -0.10 0.00 -1.01 0.00 0.00 31.44 29.42 1myp n GLU 81 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1myp s ARG 82 N -1.57 0.52 0.29 3.49 1.81 -1.24 -5.17 118.95 117.08 1myp s ARG 82 Ca 0.09 0.48 -0.03 0.00 -1.72 0.00 0.00 55.73 54.55 1myp s ARG 82 Cb 0.09 0.25 -0.05 0.00 -0.45 0.00 0.00 34.95 34.80 1myp s ARG 82 CO 0.31 -0.08 0.53 -1.54 -0.68 0.00 0.00 175.30 173.84 1myp s SER 83 N 0.01 6.40 0.30 0.23 1.04 -1.26 -4.63 113.70 115.79 1myp s SER 83 Ca -0.02 0.60 0.02 0.00 0.48 0.00 0.00 55.95 57.03 1myp s SER 83 Cb -0.03 -2.10 0.76 0.00 0.10 0.00 0.00 66.02 64.75 1myp s SER 83 CO 0.01 -0.20 1.59 -0.07 0.98 0.00 0.00 173.24 175.55 1myp h LEU 84 N 1.52 -0.35 -0.17 2.42 4.07 -2.00 0.76 115.31 121.56 1myp h LEU 84 Ca -0.48 0.26 0.00 0.00 0.08 0.00 0.00 57.88 57.74 1myp h LEU 84 Cb 1.20 0.43 0.00 0.00 1.08 0.00 0.00 40.66 43.37 1myp h LEU 84 CO 0.65 -0.32 0.83 0.24 -1.08 0.00 0.00 178.44 178.76 1myp h MET 85 N 0.04 0.00 0.08 1.13 2.86 -1.95 4.99 114.93 122.09 1myp h MET 85 Ca 0.59 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 58.23 1myp h MET 85 Cb 1.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.89 1myp h MET 85 CO -0.85 0.00 -0.04 0.35 1.06 0.00 0.00 176.91 177.43 1myp h PHE 86 N 0.00 -0.10 0.00 -0.22 3.57 -1.23 -2.59 116.94 116.37 1myp h PHE 86 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1myp h PHE 86 Cb 1.65 0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.43 1myp h PHE 86 CO 0.00 0.37 0.00 0.00 -2.23 0.00 0.00 178.31 176.45 1myp n MET 87 N -4.80 0.20 -0.33 1.11 0.00 1.60 -2.50 117.12 112.40 1myp n MET 87 Ca -0.06 0.47 0.10 0.00 0.00 0.00 0.00 57.70 58.21 1myp n MET 87 Cb 0.25 -1.91 0.28 0.00 0.00 0.00 0.00 33.22 31.83 1myp n MET 87 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 1myp n GLN 88 N -2.29 2.48 -0.00 3.17 -0.06 0.76 -3.59 117.38 117.84 1myp n GLN 88 Ca 0.01 -2.26 0.04 0.00 -2.00 0.00 0.00 57.00 52.80 1myp n GLN 88 Cb 0.20 -1.50 -0.07 0.00 -4.06 0.00 0.00 30.24 24.82 1myp n GLN 88 CO 0.00 0.00 0.00 1.87 -0.20 0.00 0.00 177.06 178.73 1myp n TRP 89 N 1.32 0.00 -0.08 3.69 -0.00 -0.98 -3.53 117.44 117.86 1myp n TRP 89 Ca 0.21 0.00 -0.08 0.00 -0.00 0.00 0.00 57.50 57.63 1myp n TRP 89 Cb 0.54 -0.17 -0.01 0.00 -0.00 0.00 0.00 31.31 31.66 1myp n TRP 89 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1myp h GLY 90 N 1.70 0.38 0.58 5.87 0.00 -1.59 0.37 103.07 110.38 1myp h GLY 90 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1myp h GLY 90 CO 0.00 0.09 -0.13 1.46 0.00 0.00 0.00 176.54 177.96 1myp h GLN 91 N 0.30 -0.34 -0.26 4.80 4.20 -1.74 0.31 115.11 122.38 1myp h GLN 91 Ca 0.12 0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.92 1myp h GLN 91 Cb 0.03 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1myp h GLN 91 CO -0.08 0.01 0.54 -0.07 -0.67 0.00 0.00 178.83 178.56 1myp h LEU 92 N -0.77 0.00 0.00 1.46 3.38 -1.53 0.14 115.31 117.99 1myp h LEU 92 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1myp h LEU 92 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1myp h LEU 92 CO 0.06 0.00 -0.17 0.25 0.09 0.00 0.00 178.44 178.67 1myp h LEU 93 N 0.00 0.00 -0.90 1.67 5.85 0.24 -3.28 115.31 118.89 1myp h LEU 93 Ca 0.12 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.96 1myp h LEU 93 Cb 1.21 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.11 1myp h LEU 93 CO -0.00 0.50 -0.42 -0.67 -0.34 0.00 0.00 178.44 177.50 1myp n ASP 94 N -4.27 -0.74 0.00 1.25 2.03 0.11 0.20 116.55 115.13 1myp n ASP 94 Ca -0.02 1.58 0.00 0.00 0.52 0.00 0.00 54.79 56.87 1myp n ASP 94 Cb 0.09 -0.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.19 1myp n ASP 94 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1myp n HIS 95 N -5.24 0.00 0.10 -0.67 8.25 0.39 0.30 115.22 118.34 1myp n HIS 95 Ca 0.06 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.55 1myp n HIS 95 Cb 0.31 -0.26 -0.03 0.00 1.12 0.00 0.00 29.99 31.13 1myp n HIS 95 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1myp n ASP 96 N -1.22 2.28 -0.10 0.41 -0.08 0.53 -4.79 116.55 113.58 1myp n ASP 96 Ca 0.00 -0.27 -0.17 0.00 -1.51 0.00 0.00 54.79 52.85 1myp n ASP 96 Cb 0.12 1.13 -0.06 0.00 2.34 0.00 0.00 41.12 44.65 1myp n ASP 96 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1myp n LEU 97 N -1.43 1.79 -4.33 -2.67 4.77 0.15 -5.06 117.00 110.21 1myp n LEU 97 Ca -0.00 0.30 -0.17 0.00 -0.03 0.00 0.00 56.01 56.11 1myp n LEU 97 Cb 0.11 -0.71 -0.10 0.00 -2.33 0.00 0.00 43.42 40.39 1myp n LEU 97 CO 0.10 0.07 -0.34 1.51 -1.33 0.00 0.00 177.39 177.40 1myp s ASP 98 N -6.54 1.90 -0.30 -1.43 1.47 0.72 -5.10 116.67 107.40 1myp s ASP 98 Ca -0.30 -1.19 -0.17 0.00 1.18 0.00 0.00 52.55 52.08 1myp s ASP 98 Cb 0.08 -0.01 0.19 0.00 -0.34 0.00 0.00 42.92 42.85 1myp s ASP 98 CO 0.40 -0.47 1.20 0.12 0.68 0.00 0.00 175.17 177.10 1myp s PHE 99 N -3.37 -0.21 -0.05 2.11 5.36 -1.26 -4.52 117.98 116.03 1myp s PHE 99 Ca 0.27 0.40 0.06 0.00 -0.96 0.00 0.00 56.93 56.70 1myp s PHE 99 Cb 0.05 0.13 -0.01 0.00 -0.34 0.00 0.00 43.02 42.84 1myp s PHE 99 CO 0.08 -0.10 -0.25 0.95 -1.46 0.00 0.00 175.22 174.44 1myp s THR 100 N 1.49 2.11 0.53 0.12 -4.23 -1.26 -5.07 115.64 109.34 1myp s THR 100 Ca -0.05 -1.05 -0.05 0.00 -1.18 0.00 0.00 61.69 59.35 1myp s THR 100 Cb -0.02 -1.76 -0.01 0.00 1.34 0.00 0.00 72.50 72.04 1myp s THR 100 CO -0.13 0.57 0.84 -2.16 -0.54 0.00 0.00 174.62 173.20 1myp s PRO 101 N -0.22 3.23 0.36 3.99 0.05 -1.26 -5.11 135.00 136.04 1myp s PRO 101 Ca -0.02 0.08 0.04 0.00 0.05 0.00 0.00 61.00 61.16 1myp s PRO 101 Cb -0.13 -2.33 -0.06 0.00 0.05 0.00 0.00 34.50 32.03 1myp s PRO 101 CO 0.03 -0.44 0.05 -1.21 0.05 0.00 0.00 177.00 175.48 1myp s GLU 102 N -4.86 1.78 -0.14 4.56 2.02 -1.26 -5.14 118.70 115.66 1myp s GLU 102 Ca 0.51 -2.01 -0.01 0.00 0.02 0.00 0.00 54.97 53.47 1myp s GLU 102 Cb -0.10 -1.02 -0.02 0.00 0.10 0.00 0.00 34.13 33.09 1myp s GLU 102 CO 0.45 -0.21 -0.09 -1.25 0.02 0.00 0.00 175.26 174.18 1myp s PRO 103 N -3.84 3.46 0.00 0.39 0.05 -1.26 -5.35 135.00 128.45 1myp s PRO 103 Ca 0.33 -0.61 0.00 0.00 0.05 0.00 0.00 61.00 60.77 1myp s PRO 103 Cb 0.08 -2.74 0.00 0.00 0.05 0.00 0.00 34.50 31.89 1myp s PRO 103 CO 0.15 0.25 0.34 0.00 0.05 0.00 0.00 177.00 177.79