#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 -2.74 -0.04 0.00 -0.02 -1.26 -4.82 135.00 126.12 1myp n PRO 2 Ca 0.00 -0.88 0.05 0.00 -2.02 0.00 0.00 63.50 60.64 1myp n PRO 2 Cb 0.00 -1.36 0.07 0.00 -0.02 0.00 0.00 33.50 32.18 1myp n PRO 2 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1myp n GLU 3 N -3.18 2.05 0.00 -0.52 1.02 -1.26 -5.00 120.64 113.75 1myp n GLU 3 Ca 0.08 -2.00 0.00 0.00 -0.02 0.00 0.00 57.16 55.22 1myp n GLU 3 Cb 0.36 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 1myp n GLU 3 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1myp n GLN 4 N -0.94 0.00 -4.44 3.49 -0.06 -1.26 -5.16 117.38 109.00 1myp n GLN 4 Ca 0.08 0.00 -0.26 0.00 -2.00 0.00 0.00 57.00 54.82 1myp n GLN 4 Cb 0.45 0.00 -0.17 0.00 -4.06 0.00 0.00 30.24 26.47 1myp n GLN 4 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1myp s ASP 5 N 0.00 2.07 -0.13 1.69 1.01 -1.26 -5.05 116.67 115.00 1myp s ASP 5 Ca 0.00 -0.34 -0.27 0.00 0.71 0.00 0.00 52.55 52.64 1myp s ASP 5 Cb 0.00 -0.92 -0.26 0.00 1.01 0.00 0.00 42.92 42.75 1myp s ASP 5 CO 0.00 0.00 0.75 0.11 0.21 0.00 0.00 175.17 176.25 1myp h LYS 6 N 7.31 0.05 -6.21 8.23 1.57 -2.06 -3.44 116.57 122.01 1myp h LYS 6 Ca -0.30 -0.08 -0.57 0.00 -1.87 0.00 0.00 60.65 57.82 1myp h LYS 6 Cb 1.17 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 33.44 1myp h LYS 6 CO 0.47 1.04 -0.57 0.71 -0.57 0.00 0.00 179.45 180.52 1myp s TYR 7 N -2.26 3.11 0.84 -1.35 2.02 -1.26 -5.13 117.35 113.33 1myp s TYR 7 Ca -0.19 -0.04 -0.11 0.00 -0.37 0.00 0.00 57.07 56.36 1myp s TYR 7 Cb -0.02 -1.49 0.10 0.00 -0.40 0.00 0.00 41.96 40.15 1myp s TYR 7 CO 0.71 0.52 1.09 1.03 -1.57 0.00 0.00 175.55 177.33 1myp s ARG 8 N -3.14 1.69 0.35 -0.62 0.52 -1.26 -5.04 118.95 111.44 1myp s ARG 8 Ca 0.31 0.79 -0.03 0.00 -0.52 0.00 0.00 55.73 56.27 1myp s ARG 8 Cb -0.10 -1.86 -0.04 0.00 0.52 0.00 0.00 34.95 33.47 1myp s ARG 8 CO 0.23 -1.93 0.60 -0.08 0.02 0.00 0.00 175.30 174.14 1myp s THR 9 N -3.02 5.02 -0.01 0.02 -1.32 -1.26 -5.03 115.64 110.04 1myp s THR 9 Ca 0.62 -0.08 -0.20 0.00 -1.21 0.00 0.00 61.69 60.82 1myp s THR 9 Cb -0.16 -3.80 -0.28 0.00 -1.51 0.00 0.00 72.50 66.74 1myp s THR 9 CO 0.56 -0.51 1.00 -0.29 -2.21 0.00 0.00 174.62 173.17 1myp h ILE 10 N 0.93 1.45 0.00 5.08 6.09 -2.04 -3.18 117.51 125.84 1myp h ILE 10 Ca -0.48 -2.34 0.00 0.00 -1.37 0.00 0.00 64.86 60.67 1myp h ILE 10 Cb 1.20 2.90 0.00 0.00 0.47 0.00 0.00 36.82 41.39 1myp h ILE 10 CO 0.64 0.68 0.00 0.35 -3.07 0.00 0.00 178.15 176.74 1myp n THR 11 N -4.12 0.00 -3.40 2.19 -2.24 -1.26 -4.90 114.28 100.55 1myp n THR 11 Ca -0.12 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.45 1myp n THR 11 Cb 0.78 -0.26 0.06 0.00 -2.10 0.00 0.00 70.33 68.81 1myp n THR 11 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1myp n GLY 12 N 0.65 -1.11 0.07 3.38 0.00 -1.20 -2.26 105.19 104.72 1myp n GLY 12 Ca 0.11 0.54 -0.07 0.00 0.00 0.00 0.00 46.02 46.60 1myp n GLY 12 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1myp n MET 13 N -3.52 0.45 -0.12 1.61 0.00 -1.26 -4.06 117.12 110.22 1myp n MET 13 Ca -0.08 0.28 -0.02 0.00 -0.00 0.00 0.00 57.70 57.89 1myp n MET 13 Cb 0.61 -1.41 0.02 0.00 0.00 0.00 0.00 33.22 32.44 1myp n MET 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1myp h ASN 15 N 0.17 -0.32 -3.49 0.00 -1.24 -1.82 -3.39 115.58 105.49 1myp h ASN 15 Ca 0.05 0.01 -0.53 0.00 0.71 0.00 0.00 56.30 56.54 1myp h ASN 15 Cb 1.07 0.08 -0.03 0.00 0.73 0.00 0.00 38.32 40.17 1myp h ASN 15 CO 0.10 -0.22 0.23 0.21 -1.29 0.00 0.00 177.43 176.45 1myp s ASN 16 N -2.55 7.33 0.02 1.15 3.04 -1.26 -4.98 114.94 117.68 1myp s ASN 16 Ca -0.05 1.59 0.01 0.00 0.04 0.00 0.00 52.86 54.45 1myp s ASN 16 Cb 0.01 -2.51 -0.26 0.00 -1.54 0.00 0.00 41.25 36.95 1myp s ASN 16 CO 0.16 0.01 0.91 0.03 -3.04 0.00 0.00 177.10 175.17 1myp h ARG 17 N 5.50 0.16 -0.23 0.43 3.08 -1.94 -3.27 114.38 118.11 1myp h ARG 17 Ca -0.44 -0.28 -0.07 0.00 0.07 0.00 0.00 59.98 59.27 1myp h ARG 17 Cb 1.21 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.35 1myp h ARG 17 CO 0.71 1.00 -0.11 0.00 -1.07 0.00 0.00 179.97 180.49 1myp h ARG 18 N 0.04 0.49 -3.18 0.04 3.08 -1.97 -3.36 114.38 109.53 1myp h ARG 18 Ca -0.21 -0.21 -0.67 0.00 0.07 0.00 0.00 59.98 58.96 1myp h ARG 18 Cb 1.97 -0.01 -0.38 0.00 0.08 0.00 0.00 29.97 31.62 1myp h ARG 18 CO 0.14 0.76 -0.27 0.45 -1.07 0.00 0.00 179.97 179.98 1myp n SER 19 N -4.51 3.81 -0.54 7.04 2.88 -1.26 -4.96 113.62 116.07 1myp n SER 19 Ca -0.04 -3.18 0.44 0.00 -1.33 0.00 0.00 58.87 54.76 1myp n SER 19 Cb 0.34 -0.94 0.75 0.00 -0.75 0.00 0.00 64.21 63.62 1myp n SER 19 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1myp h PRO 20 N 5.68 0.03 0.00 -1.46 0.14 -1.71 -0.75 132.00 133.93 1myp h PRO 20 Ca 0.16 -0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.30 1myp h PRO 20 Cb 0.78 -0.01 0.00 0.00 0.14 0.00 0.00 31.00 31.91 1myp h PRO 20 CO 0.82 0.02 0.00 0.00 0.14 0.00 0.00 178.00 178.98 1myp h THR 21 N 0.03 0.00 -2.37 1.56 1.03 -1.87 -3.39 112.91 107.91 1myp h THR 21 Ca 0.82 -0.50 -0.53 0.00 -0.01 0.00 0.00 66.41 66.18 1myp h THR 21 Cb 3.07 1.49 0.02 0.00 -1.07 0.00 0.00 68.15 71.67 1myp h THR 21 CO -0.13 0.00 1.22 0.18 -0.01 0.00 0.00 175.52 176.78 1myp n LEU 22 N -3.06 4.15 -1.87 0.00 4.32 -0.29 -2.59 117.00 117.66 1myp n LEU 22 Ca 0.01 0.91 -0.14 0.00 -0.02 0.00 0.00 56.01 56.77 1myp n LEU 22 Cb 0.30 -1.53 0.01 0.00 -1.62 0.00 0.00 43.42 40.59 1myp n LEU 22 CO 0.27 0.20 -0.06 0.61 -1.22 0.00 0.00 177.39 177.19 1myp n GLY 23 N 4.52 -0.13 0.00 -0.72 0.00 -1.26 -4.72 105.19 102.88 1myp n GLY 23 Ca 0.20 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.48 0.00 -2.46 4.61 0.00 -1.07 -4.83 120.51 114.28 1myp n ALA 24 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.10 1myp n ALA 24 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1myp n ALA 24 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1myp s SER 25 N -1.00 6.05 -0.81 0.00 0.01 -0.96 -4.41 113.70 112.58 1myp s SER 25 Ca 0.00 0.37 -0.04 0.00 1.31 0.00 0.00 55.95 57.59 1myp s SER 25 Cb 0.00 -1.76 0.04 0.00 0.21 0.00 0.00 66.02 64.51 1myp s SER 25 CO 0.00 -0.52 0.11 0.59 0.41 0.00 0.00 173.24 173.83 1myp n ASN 26 N -1.96 -0.05 -4.37 2.44 5.03 -1.26 -4.96 115.26 110.14 1myp n ASN 26 Ca -0.01 -0.61 -0.24 0.00 0.87 0.00 0.00 54.58 54.59 1myp n ASN 26 Cb 0.57 -0.77 -0.11 0.00 -1.02 0.00 0.00 39.78 38.45 1myp n ASN 26 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 1myp s ARG 27 N -4.70 1.37 1.01 3.52 6.06 -1.26 -5.15 118.95 119.80 1myp s ARG 27 Ca 0.16 -1.46 -0.12 0.00 -2.50 0.00 0.00 55.73 51.80 1myp s ARG 27 Cb -0.09 -1.52 0.16 0.00 0.06 0.00 0.00 34.95 33.56 1myp s ARG 27 CO 0.49 0.32 0.88 0.00 -2.50 0.00 0.00 175.30 174.48 1myp n ALA 28 N 0.25 -1.99 -2.36 6.12 0.00 -1.26 -5.00 120.51 116.26 1myp n ALA 28 Ca -0.13 -0.80 -0.28 0.00 0.00 0.00 0.00 53.44 52.23 1myp n ALA 28 Cb 0.57 -2.01 -0.02 0.00 0.00 0.00 0.00 19.45 17.98 1myp n ALA 28 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1myp s PHE 29 N -2.50 3.49 0.43 0.00 0.08 -1.26 -5.04 117.98 113.19 1myp s PHE 29 Ca 0.65 0.79 -0.05 0.00 0.12 0.00 0.00 56.93 58.44 1myp s PHE 29 Cb -0.22 -2.24 -0.04 0.00 -0.57 0.00 0.00 43.02 39.94 1myp s PHE 29 CO 0.62 -0.02 0.71 0.08 -0.10 0.00 0.00 175.22 176.51 1myp s VAL 30 N -2.34 4.94 -0.14 -0.44 1.01 -1.26 -5.09 120.40 117.07 1myp s VAL 30 Ca 0.47 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.57 1myp s VAL 30 Cb -0.10 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.47 1myp s VAL 30 CO 0.34 -0.70 -0.13 -0.60 0.00 0.00 0.00 175.10 174.01 1myp s ARG 31 N -4.42 2.20 0.15 2.72 6.06 -1.26 -4.99 118.95 119.42 1myp s ARG 31 Ca 0.46 -0.52 0.24 0.00 -2.50 0.00 0.00 55.73 53.41 1myp s ARG 31 Cb -0.10 -2.04 0.22 0.00 0.06 0.00 0.00 34.95 33.09 1myp s ARG 31 CO 0.40 -0.24 1.23 -1.49 -2.50 0.00 0.00 175.30 172.70 1myp h TRP 32 N 8.06 0.00 -3.09 5.12 6.55 -2.07 -3.46 115.95 127.06 1myp h TRP 32 Ca -0.37 0.00 -0.16 0.00 0.95 0.00 0.00 58.89 59.31 1myp h TRP 32 Cb 1.14 0.00 -0.25 0.00 -0.86 0.00 0.00 29.16 29.19 1myp h TRP 32 CO 0.47 0.00 -0.40 -0.51 -1.05 0.00 0.00 178.44 176.95 1myp s LEU 33 N -4.59 0.98 0.48 -4.49 1.02 -1.26 -5.15 118.68 105.67 1myp s LEU 33 Ca 0.04 0.50 -0.24 0.00 0.02 0.00 0.00 54.13 54.45 1myp s LEU 33 Cb 0.12 0.93 -0.07 0.00 0.02 0.00 0.00 46.19 47.19 1myp s LEU 33 CO 0.75 -0.12 1.36 -2.65 0.02 0.00 0.00 176.35 175.71 1myp n PRO 34 N 2.82 1.95 -1.46 1.29 -0.01 -1.26 -4.92 135.00 133.40 1myp n PRO 34 Ca -0.13 0.70 -0.36 0.00 -0.01 0.00 0.00 63.50 63.69 1myp n PRO 34 Cb 0.58 -2.54 0.08 0.00 -0.01 0.00 0.00 33.50 31.60 1myp n PRO 34 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1myp n ALA 35 N -0.55 -0.02 -3.72 3.55 0.00 -1.26 -5.01 120.51 113.49 1myp n ALA 35 Ca 0.08 -0.12 -0.28 0.00 0.00 0.00 0.00 53.44 53.12 1myp n ALA 35 Cb 0.42 -2.13 -0.11 0.00 0.00 0.00 0.00 19.45 17.63 1myp n ALA 35 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1myp s GLU 36 N -3.18 1.93 0.46 0.00 2.02 -1.26 -5.06 118.70 113.61 1myp s GLU 36 Ca 0.75 -2.92 0.08 0.00 0.02 0.00 0.00 54.97 52.90 1myp s GLU 36 Cb -0.37 -2.73 0.02 0.00 0.10 0.00 0.00 34.13 31.15 1myp s GLU 36 CO 0.48 -1.32 0.53 0.71 0.02 0.00 0.00 175.26 175.68 1myp s TYR 37 N -0.94 2.44 0.05 1.61 2.02 -1.26 -4.66 117.35 116.60 1myp s TYR 37 Ca 0.28 -0.52 -0.14 0.00 -0.37 0.00 0.00 57.07 56.31 1myp s TYR 37 Cb -0.02 -2.24 -0.32 0.00 -0.40 0.00 0.00 41.96 38.98 1myp s TYR 37 CO -0.18 -0.45 1.06 1.05 -1.57 0.00 0.00 175.55 175.46 1myp h GLU 38 N 0.70 0.55 0.77 -0.62 4.11 -1.03 -3.30 114.58 115.75 1myp h GLU 38 Ca -0.38 -0.84 -0.04 0.00 0.07 0.00 0.00 59.36 58.16 1myp h GLU 38 Cb 1.28 0.30 0.01 0.00 0.50 0.00 0.00 28.75 30.84 1myp h GLU 38 CO 0.49 1.39 -0.37 -0.44 0.07 0.00 0.00 179.01 180.16 1myp h ASP 39 N 0.19 -0.88 0.00 3.06 3.32 -1.94 -3.47 116.42 116.70 1myp h ASP 39 Ca -0.22 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1myp h ASP 39 Cb 2.05 0.23 0.00 0.00 0.22 0.00 0.00 39.33 41.83 1myp h ASP 39 CO 0.25 -0.60 0.00 0.61 -1.72 0.00 0.00 179.24 177.79 1myp n GLY 40 N -1.39 1.29 0.00 2.75 0.00 -1.25 -4.90 105.19 101.69 1myp n GLY 40 Ca -0.14 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 0.00 -2.28 1.61 -1.74 -1.26 -4.54 117.46 109.24 1myp n PHE 41 Ca 0.00 0.00 -0.02 0.00 -0.56 0.00 0.00 57.45 56.87 1myp n PHE 41 Cb 0.00 -0.00 0.03 0.00 1.52 0.00 0.00 39.48 41.03 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 -1.85 -0.70 -3.59 5.98 3.41 -1.26 -5.01 113.62 110.61 1myp n SER 42 Ca -0.00 -1.44 -0.20 0.00 -0.26 0.00 0.00 58.87 56.97 1myp n SER 42 Cb 0.35 0.29 -0.15 0.00 -0.26 0.00 0.00 64.21 64.44 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 -1.39 0.05 0.09 1.04 1.43 -1.26 -4.98 118.68 113.66 1myp s LEU 43 Ca 0.03 -0.17 -0.36 0.00 -1.03 0.00 0.00 54.13 52.60 1myp s LEU 43 Cb 0.15 0.13 -0.17 0.00 0.03 0.00 0.00 46.19 46.33 1myp s LEU 43 CO -0.04 -0.31 1.17 -0.81 0.23 0.00 0.00 176.35 176.59 1myp n PRO 44 N 5.31 0.75 -2.08 1.29 -0.04 -1.26 -0.45 135.00 138.52 1myp n PRO 44 Ca -0.06 0.27 -0.36 0.00 -0.04 0.00 0.00 63.50 63.31 1myp n PRO 44 Cb 0.49 -1.80 0.02 0.00 -0.04 0.00 0.00 33.50 32.17 1myp n PRO 44 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1myp s TYR 45 N 0.10 2.51 0.00 0.54 1.51 -1.26 -2.58 117.35 118.17 1myp s TYR 45 Ca 0.83 1.51 0.00 0.00 -1.01 0.00 0.00 57.07 58.39 1myp s TYR 45 Cb -1.02 -3.47 0.00 0.00 -0.11 0.00 0.00 41.96 37.36 1myp s TYR 45 CO 0.52 -2.06 0.00 0.41 -1.11 0.00 0.00 175.55 173.31 1myp n GLY 46 N 0.46 0.56 1.80 0.71 0.00 -1.26 -4.97 105.19 102.49 1myp n GLY 46 Ca 0.12 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.99 -0.93 -2.91 1.61 -0.00 -1.06 -5.05 117.44 108.10 1myp n TRP 47 Ca 0.00 0.17 -0.31 0.00 -0.00 0.00 0.00 57.50 57.36 1myp n TRP 47 Cb 0.38 0.43 -0.04 0.00 -0.00 0.00 0.00 31.31 32.09 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 -1.44 4.76 -0.21 5.87 -4.23 -1.26 -5.04 115.64 114.09 1myp s THR 48 Ca 0.00 0.69 -0.09 0.00 -1.18 0.00 0.00 61.69 61.11 1myp s THR 48 Cb 0.00 -3.71 -0.05 0.00 1.34 0.00 0.00 72.50 70.09 1myp s THR 48 CO 0.00 -0.45 0.12 -2.16 -0.54 0.00 0.00 174.62 171.59 1myp s PRO 49 N -3.67 4.05 0.00 3.99 0.04 -1.26 -3.37 135.00 134.78 1myp s PRO 49 Ca 0.52 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.27 1myp s PRO 49 Cb -0.10 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 31.03 1myp s PRO 49 CO 0.28 0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.90 1myp n GLY 50 N 3.91 1.87 3.75 0.56 0.00 -1.26 -5.05 105.19 108.97 1myp n GLY 50 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.30 4.57 0.05 1.61 1.01 -1.22 -5.08 120.40 119.05 1myp s VAL 51 Ca 0.00 1.75 0.04 0.00 0.00 0.00 0.00 61.98 63.77 1myp s VAL 51 Cb 0.00 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1myp s VAL 51 CO 0.00 0.40 -0.04 -0.54 0.00 0.00 0.00 175.10 174.91 1myp s LYS 52 N -0.34 2.50 0.00 2.72 3.01 -1.26 -4.27 119.74 122.10 1myp s LYS 52 Ca 0.40 -0.80 0.00 0.00 -1.01 0.00 0.00 55.97 54.56 1myp s LYS 52 Cb -0.22 -2.50 0.00 0.00 -1.01 0.00 0.00 37.83 34.10 1myp s LYS 52 CO 0.25 0.57 0.00 -2.13 0.51 0.00 0.00 175.35 174.55 1myp n ARG 53 N 1.07 0.00 -0.05 1.68 0.63 1.15 -4.75 116.66 116.39 1myp n ARG 53 Ca -0.13 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.66 1myp n ARG 53 Cb 0.52 -0.05 -0.08 0.00 0.45 0.00 0.00 32.46 33.30 1myp n ARG 53 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 1myp h ASN 54 N 0.00 0.35 0.00 6.15 2.35 -1.99 -3.44 115.58 119.00 1myp h ASN 54 Ca 0.00 -0.53 0.00 0.00 -0.55 0.00 0.00 56.30 55.22 1myp h ASN 54 Cb 0.00 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.27 1myp h ASN 54 CO 0.00 0.81 0.00 0.61 -1.65 0.00 0.00 177.43 177.20 1myp n GLY 55 N 0.34 1.00 3.42 2.83 0.00 -1.26 -5.09 105.19 106.43 1myp n GLY 55 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 2.14 0.85 1.61 0.40 -1.26 -5.05 117.98 116.67 1myp s PHE 56 Ca 0.00 -0.39 -0.11 0.00 -0.60 0.00 0.00 56.93 55.83 1myp s PHE 56 Cb 0.00 -0.98 0.10 0.00 0.51 0.00 0.00 43.02 42.65 1myp s PHE 56 CO 0.00 0.57 1.10 -2.14 0.70 0.00 0.00 175.22 175.44 1myp s PRO 57 N -3.26 1.62 -0.22 0.24 0.02 -1.26 0.36 135.00 132.50 1myp s PRO 57 Ca 0.25 1.07 -0.10 0.00 0.02 0.00 0.00 61.00 62.25 1myp s PRO 57 Cb -0.05 -1.83 -0.05 0.00 0.02 0.00 0.00 34.50 32.59 1myp s PRO 57 CO 0.12 -2.06 0.13 0.54 -0.33 0.00 0.00 177.00 175.40 1myp s VAL 58 N -2.87 5.24 1.00 3.83 0.11 -1.26 -4.41 120.40 122.04 1myp s VAL 58 Ca 0.63 0.13 -0.13 0.00 -2.93 0.00 0.00 61.98 59.68 1myp s VAL 58 Cb -0.18 -3.42 0.17 0.00 -1.53 0.00 0.00 36.38 31.42 1myp s VAL 58 CO 0.57 0.39 0.35 0.00 -3.33 0.00 0.00 175.10 173.07 1myp n ALA 59 N 4.00 -0.56 -2.56 1.54 0.00 -1.26 -4.97 120.51 116.70 1myp n ALA 59 Ca -0.16 -1.02 -0.32 0.00 0.00 0.00 0.00 53.44 51.95 1myp n ALA 59 Cb 0.52 -0.85 -0.15 0.00 0.00 0.00 0.00 19.45 18.97 1myp n ALA 59 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1myp s LEU 60 N 0.17 2.40 0.10 0.00 2.96 -1.26 -4.98 118.68 118.07 1myp s LEU 60 Ca 0.35 -0.35 -0.20 0.00 -0.22 0.00 0.00 54.13 53.71 1myp s LEU 60 Cb -0.06 -1.46 -0.08 0.00 0.50 0.00 0.00 46.19 45.09 1myp s LEU 60 CO 0.32 0.30 1.64 0.00 -1.32 0.00 0.00 176.35 177.28 1myp h ALA 61 N 5.69 0.28 0.00 5.97 0.00 -2.00 -0.36 119.26 128.84 1myp h ALA 61 Ca -0.40 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1myp h ALA 61 Cb 1.16 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1myp h ALA 61 CO 0.49 -0.12 -0.03 -0.09 0.00 0.00 0.00 179.25 179.50 1myp h ARG 62 N 0.20 0.00 -0.07 0.00 9.65 -2.00 -1.99 114.38 120.16 1myp h ARG 62 Ca 0.07 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.92 1myp h ARG 62 Cb 0.18 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.76 1myp h ARG 62 CO -0.01 0.03 -0.08 0.00 2.80 0.00 0.00 179.97 182.71 1myp h ALA 63 N 1.97 0.11 0.00 2.80 0.00 -1.54 -2.86 119.26 119.73 1myp h ALA 63 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1myp h ALA 63 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1myp h ALA 63 CO 0.00 -0.07 -0.01 -0.39 0.00 0.00 0.00 179.25 178.78 1myp h VAL 64 N -0.25 0.00 -0.29 0.00 -1.51 -0.45 -2.84 116.25 110.91 1myp h VAL 64 Ca 0.01 -0.55 -0.16 0.00 -1.23 0.00 0.00 66.70 64.77 1myp h VAL 64 Cb 0.59 1.54 -0.01 0.00 -2.13 0.00 0.00 31.29 31.29 1myp h VAL 64 CO 0.02 0.00 -0.47 0.77 -1.23 0.00 0.00 177.57 176.66 1myp h SER 65 N 0.00 0.83 -0.81 4.19 4.64 -1.38 0.22 113.55 121.24 1myp h SER 65 Ca 0.00 -0.41 0.07 0.00 -0.47 0.00 0.00 61.79 60.98 1myp h SER 65 Cb 0.77 -0.23 -0.05 0.00 -0.31 0.00 0.00 62.40 62.58 1myp h SER 65 CO 0.00 1.16 0.53 0.78 -0.87 0.00 0.00 176.83 178.43 1myp h ASN 66 N 0.61 0.76 0.00 4.97 -0.26 -1.40 0.86 115.58 121.12 1myp h ASN 66 Ca 0.03 0.01 -0.17 0.00 -0.56 0.00 0.00 56.30 55.61 1myp h ASN 66 Cb 1.03 -0.15 -0.03 0.00 -1.06 0.00 0.00 38.32 38.11 1myp h ASN 66 CO 0.10 0.48 -1.10 -0.62 -1.06 0.00 0.00 177.43 175.23 1myp n GLU 67 N -4.49 0.53 0.03 0.81 1.02 -0.98 -4.20 120.64 113.35 1myp n GLU 67 Ca 0.12 0.54 -0.11 0.00 -0.02 0.00 0.00 57.16 57.69 1myp n GLU 67 Cb 0.24 -1.71 -0.13 0.00 -0.02 0.00 0.00 31.44 29.81 1myp n GLU 67 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1myp h ILE 68 N -1.00 1.18 0.05 -3.67 1.08 -0.63 -3.41 117.51 111.11 1myp h ILE 68 Ca -0.26 -2.93 -0.35 0.00 -0.39 0.00 0.00 64.86 60.93 1myp h ILE 68 Cb 1.07 2.64 -0.04 0.00 -3.07 0.00 0.00 36.82 37.43 1myp h ILE 68 CO -0.16 0.74 -2.01 0.55 -0.69 0.00 0.00 178.15 176.58 1myp n VAL 69 N -3.26 1.62 -1.70 1.67 3.14 -0.38 -4.93 118.33 114.49 1myp n VAL 69 Ca -0.12 -0.45 -0.55 0.00 -2.96 0.00 0.00 64.34 60.26 1myp n VAL 69 Cb 1.02 -1.76 -0.06 0.00 -1.06 0.00 0.00 33.84 31.97 1myp n VAL 69 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1myp n ARG 70 N -3.77 1.44 -4.07 1.45 0.63 0.16 -4.94 116.66 107.55 1myp n ARG 70 Ca -0.38 0.53 -0.13 0.00 -0.92 0.00 0.00 57.85 56.94 1myp n ARG 70 Cb 0.93 -2.26 -0.11 0.00 0.45 0.00 0.00 32.46 31.47 1myp n ARG 70 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 1myp s PHE 71 N 3.63 0.71 -0.49 -0.14 -0.12 -1.26 -4.97 117.98 115.34 1myp s PHE 71 Ca 0.97 -0.52 -0.27 0.00 -0.05 0.00 0.00 56.93 57.05 1myp s PHE 71 Cb -0.96 -0.42 -0.02 0.00 -0.63 0.00 0.00 43.02 40.98 1myp s PHE 71 CO 0.61 -0.08 1.86 -2.14 -0.05 0.00 0.00 175.22 175.42 1myp s PRO 72 N -1.73 2.89 0.12 1.99 0.02 -1.26 -4.77 135.00 132.26 1myp s PRO 72 Ca -0.08 0.98 0.01 0.00 0.02 0.00 0.00 61.00 61.93 1myp s PRO 72 Cb -0.09 -4.32 0.06 0.00 0.02 0.00 0.00 34.50 30.17 1myp s PRO 72 CO 0.00 -2.40 0.68 -2.37 -0.33 0.00 0.00 177.00 172.58 1myp n THR 73 N 7.33 0.22 0.68 0.99 5.66 -1.26 0.17 114.28 128.08 1myp n THR 73 Ca 0.22 0.59 0.09 0.00 -3.05 0.00 0.00 64.05 61.91 1myp n THR 73 Cb 0.50 -1.59 0.10 0.00 -1.55 0.00 0.00 70.33 67.79 1myp n THR 73 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1myp n ASP 74 N -1.34 2.67 -0.70 1.09 5.75 -1.26 -4.23 116.55 118.54 1myp n ASP 74 Ca -0.00 -1.81 0.12 0.00 -0.01 0.00 0.00 54.79 53.09 1myp n ASP 74 Cb 0.51 -0.04 0.35 0.00 -1.03 0.00 0.00 41.12 40.91 1myp n ASP 74 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1myp n GLN 75 N 1.08 1.93 -1.53 0.11 6.02 0.44 -4.97 117.38 120.46 1myp n GLN 75 Ca 0.12 -1.38 -0.60 0.00 -0.01 0.00 0.00 57.00 55.13 1myp n GLN 75 Cb 0.48 -1.45 -0.08 0.00 1.02 0.00 0.00 30.24 30.21 1myp n GLN 75 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1myp n LEU 76 N 0.63 0.35 -4.56 1.08 7.94 -1.26 -4.95 117.00 116.23 1myp n LEU 76 Ca 0.17 1.13 -0.37 0.00 -1.11 0.00 0.00 56.01 55.84 1myp n LEU 76 Cb 0.42 -0.88 -0.11 0.00 0.53 0.00 0.00 43.42 43.38 1myp n LEU 76 CO 0.15 -1.54 -0.22 0.28 -1.11 0.00 0.00 177.39 174.95 1myp s THR 77 N 0.88 4.91 -0.16 1.96 -1.32 -1.26 -5.03 115.64 115.62 1myp s THR 77 Ca 0.92 0.03 -0.28 0.00 -1.21 0.00 0.00 61.69 61.15 1myp s THR 77 Cb -1.30 -3.29 -0.01 0.00 -1.51 0.00 0.00 72.50 66.39 1myp s THR 77 CO 0.63 0.33 0.97 -2.84 -2.21 0.00 0.00 174.62 171.49 1myp s PRO 78 N 1.34 4.34 -0.78 7.08 0.02 -1.26 -4.94 135.00 140.81 1myp s PRO 78 Ca 0.06 1.28 -0.25 0.00 0.02 0.00 0.00 61.00 62.10 1myp s PRO 78 Cb -0.15 -3.58 -0.03 0.00 0.02 0.00 0.00 34.50 30.77 1myp s PRO 78 CO 0.06 -0.40 1.87 0.34 -0.33 0.00 0.00 177.00 178.53 1myp s ASP 79 N 1.14 5.28 0.27 2.53 2.15 -1.26 -4.83 116.67 121.96 1myp s ASP 79 Ca 0.44 -0.26 0.18 0.00 0.43 0.00 0.00 52.55 53.34 1myp s ASP 79 Cb -0.17 -2.55 0.96 0.00 -0.30 0.00 0.00 42.92 40.87 1myp s ASP 79 CO 0.13 -2.51 1.53 0.00 -0.17 0.00 0.00 175.17 174.16 1myp n GLN 80 N 9.02 0.11 0.00 4.34 6.02 -1.26 -2.53 117.38 133.08 1myp n GLN 80 Ca 0.30 0.61 0.07 0.00 -0.01 0.00 0.00 57.00 57.97 1myp n GLN 80 Cb 0.49 -1.91 -0.04 0.00 1.02 0.00 0.00 30.24 29.81 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 -2.13 2.21 -4.41 -1.09 1.02 -1.26 -4.97 120.64 110.01 1myp n GLU 81 Ca -0.01 -0.35 -0.28 0.00 -0.02 0.00 0.00 57.16 56.50 1myp n GLU 81 Cb 0.06 -1.17 -0.12 0.00 -0.02 0.00 0.00 31.44 30.18 1myp n GLU 81 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1myp s ARG 82 N -2.01 1.48 0.08 3.49 3.00 -1.05 -5.15 118.95 118.79 1myp s ARG 82 Ca 0.08 -1.45 0.06 0.00 0.00 0.00 0.00 55.73 54.42 1myp s ARG 82 Cb 0.11 -1.87 -0.04 0.00 0.00 0.00 0.00 34.95 33.15 1myp s ARG 82 CO 0.46 0.42 -0.08 -1.54 0.00 0.00 0.00 175.30 174.56 1myp s SER 83 N -2.43 4.50 0.62 0.23 1.04 -1.26 -4.81 113.70 111.59 1myp s SER 83 Ca 0.18 -0.32 0.24 0.00 0.48 0.00 0.00 55.95 56.53 1myp s SER 83 Cb -0.09 -0.92 1.13 0.00 0.10 0.00 0.00 66.02 66.25 1myp s SER 83 CO 0.08 0.20 1.61 0.25 0.98 0.00 0.00 173.24 176.36 1myp h LEU 84 N 3.77 0.00 0.00 2.42 5.85 -2.01 1.14 115.31 126.48 1myp h LEU 84 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1myp h LEU 84 Cb 1.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1myp h LEU 84 CO 0.53 0.00 0.00 0.80 -0.34 0.00 0.00 178.44 179.43 1myp n MET 85 N -3.19 0.21 0.13 1.25 1.56 -1.26 -1.53 117.12 114.28 1myp n MET 85 Ca 0.08 0.13 0.01 0.00 -0.27 0.00 0.00 57.70 57.66 1myp n MET 85 Cb 0.87 -1.50 0.05 0.00 2.15 0.00 0.00 33.22 34.79 1myp n MET 85 CO 0.00 0.00 0.00 0.35 -0.73 0.00 0.00 175.97 175.59 1myp h PHE 86 N 0.00 0.00 0.11 1.12 3.57 0.95 -1.84 116.94 120.84 1myp h PHE 86 Ca 0.00 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 61.20 1myp h PHE 86 Cb 0.19 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1myp h PHE 86 CO 0.00 0.57 -1.53 0.00 -2.23 0.00 0.00 178.31 175.12 1myp h MET 87 N 0.00 0.22 -0.27 1.11 -0.00 -1.37 -3.07 114.93 111.55 1myp h MET 87 Ca -0.01 -0.38 -0.03 0.00 -0.00 0.00 0.00 59.70 59.29 1myp h MET 87 Cb 1.37 0.14 -0.01 0.00 -0.00 0.00 0.00 31.60 33.10 1myp h MET 87 CO 0.07 1.07 0.07 0.37 -0.00 0.00 0.00 176.91 178.50 1myp h GLN 88 N 0.06 0.43 -0.70 -0.10 5.75 -1.42 -0.77 115.11 118.36 1myp h GLN 88 Ca -0.24 -0.10 0.15 0.00 -0.15 0.00 0.00 58.65 58.31 1myp h GLN 88 Cb 2.00 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 30.45 1myp h GLN 88 CO 0.15 0.51 0.47 2.35 -2.65 0.00 0.00 178.83 179.67 1myp h TRP 89 N 0.27 0.34 0.45 3.99 2.91 -1.43 -1.47 115.95 121.01 1myp h TRP 89 Ca 0.09 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.10 1myp h TRP 89 Cb 0.27 -0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 28.79 1myp h TRP 89 CO 0.01 0.13 -0.47 0.78 -1.03 0.00 0.00 178.44 177.87 1myp h GLY 90 N 0.29 -1.22 0.49 2.65 0.00 -1.07 0.21 103.07 104.43 1myp h GLY 90 Ca 0.34 0.57 0.02 0.00 0.00 0.00 0.00 47.33 48.26 1myp h GLY 90 CO -0.08 -0.36 -0.29 -1.61 0.00 0.00 0.00 176.54 174.19 1myp h GLN 91 N -0.92 -0.49 -0.02 4.80 4.15 -0.54 -1.69 115.11 120.40 1myp h GLN 91 Ca -0.06 0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.43 1myp h GLN 91 Cb 0.80 0.11 -0.06 0.00 0.21 0.00 0.00 27.48 28.55 1myp h GLN 91 CO -0.06 -0.32 -0.39 1.25 -1.93 0.00 0.00 178.83 177.38 1myp h LEU 92 N -0.51 -1.17 -0.17 -2.39 5.85 -1.26 -1.03 115.31 114.63 1myp h LEU 92 Ca 0.03 0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.94 1myp h LEU 92 Cb 0.54 0.47 -0.07 0.00 0.37 0.00 0.00 40.66 41.96 1myp h LEU 92 CO -0.17 -0.43 -0.49 0.25 -0.34 0.00 0.00 178.44 177.26 1myp h LEU 93 N -0.53 -1.55 -0.77 2.25 5.85 -0.48 -1.34 115.31 118.74 1myp h LEU 93 Ca 0.06 0.20 0.15 0.00 0.84 0.00 0.00 57.88 59.12 1myp h LEU 93 Cb 0.62 0.62 -0.14 0.00 0.37 0.00 0.00 40.66 42.13 1myp h LEU 93 CO -0.32 -0.45 -0.23 -0.78 -0.34 0.00 0.00 178.44 176.32 1myp h ASP 94 N -0.52 -0.84 0.04 1.25 3.58 -0.88 0.71 116.42 119.77 1myp h ASP 94 Ca 0.06 0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.75 1myp h ASP 94 Cb 0.65 0.52 0.00 0.00 1.72 0.00 0.00 39.33 42.22 1myp h ASP 94 CO -0.44 -0.27 0.00 1.41 -2.88 0.00 0.00 179.24 177.06 1myp n HIS 95 N -5.50 0.21 -0.04 0.28 8.25 -0.43 -0.28 115.22 117.72 1myp n HIS 95 Ca 0.10 0.11 -0.10 0.00 -0.26 0.00 0.00 57.72 57.57 1myp n HIS 95 Cb 0.39 -0.67 -0.14 0.00 1.12 0.00 0.00 29.99 30.68 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 -1.72 0.83 -0.05 0.41 -0.08 0.24 -4.55 116.55 111.63 1myp n ASP 96 Ca -0.00 0.30 -0.02 0.00 -1.51 0.00 0.00 54.79 53.56 1myp n ASP 96 Cb 0.02 0.07 -0.01 0.00 2.34 0.00 0.00 41.12 43.55 1myp n ASP 96 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1myp h LEU 97 N 0.01 0.00 -8.59 -2.67 3.38 -0.42 -3.49 115.31 103.51 1myp h LEU 97 Ca -0.36 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.33 1myp h LEU 97 Cb 2.06 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 42.66 1myp h LEU 97 CO 0.07 0.57 -0.69 1.51 0.09 0.00 0.00 178.44 179.98 1myp s ASP 98 N -5.36 1.40 -0.28 -0.43 1.47 0.61 -5.10 116.67 108.98 1myp s ASP 98 Ca -0.07 -1.07 -0.23 0.00 1.18 0.00 0.00 52.55 52.36 1myp s ASP 98 Cb 0.01 0.06 0.09 0.00 -0.34 0.00 0.00 42.92 42.74 1myp s ASP 98 CO 0.11 -0.46 0.79 0.12 0.68 0.00 0.00 175.17 176.41 1myp s PHE 99 N -3.53 -0.77 -0.26 2.11 5.36 -1.26 -4.49 117.98 115.14 1myp s PHE 99 Ca 0.18 1.78 -0.01 0.00 -0.96 0.00 0.00 56.93 57.91 1myp s PHE 99 Cb 0.05 0.36 0.08 0.00 -0.34 0.00 0.00 43.02 43.17 1myp s PHE 99 CO 0.00 -0.37 0.06 0.99 -1.46 0.00 0.00 175.22 174.44 1myp s THR 100 N 0.65 0.80 0.41 0.12 2.01 -1.26 -5.09 115.64 113.28 1myp s THR 100 Ca -0.02 -1.08 -0.26 0.00 0.31 0.00 0.00 61.69 60.64 1myp s THR 100 Cb -0.05 -1.45 -0.10 0.00 0.01 0.00 0.00 72.50 70.91 1myp s THR 100 CO -0.05 -0.46 1.29 -0.81 -0.69 0.00 0.00 174.62 173.90 1myp n PRO 101 N 4.91 2.03 -3.31 4.92 -0.05 -1.26 -5.05 135.00 137.19 1myp n PRO 101 Ca -0.06 0.72 -0.19 0.00 -0.05 0.00 0.00 63.50 63.92 1myp n PRO 101 Cb 0.44 -2.40 -0.00 0.00 -0.05 0.00 0.00 33.50 31.48 1myp n PRO 101 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 175.50 174.24 1myp s GLU 102 N -2.15 2.61 -0.86 0.54 2.02 -1.26 -5.07 118.70 114.53 1myp s GLU 102 Ca 0.59 -1.46 -0.12 0.00 0.02 0.00 0.00 54.97 54.00 1myp s GLU 102 Cb -0.51 -2.54 0.23 0.00 0.10 0.00 0.00 34.13 31.40 1myp s GLU 102 CO 0.59 -0.32 0.80 -2.14 0.02 0.00 0.00 175.26 174.22 1myp s PRO 103 N -4.28 3.63 0.00 0.39 0.01 -1.26 -5.36 135.00 128.13 1myp s PRO 103 Ca 0.51 -2.61 0.00 0.00 0.01 0.00 0.00 61.00 58.91 1myp s PRO 103 Cb -0.06 -4.40 0.00 0.00 0.01 0.00 0.00 34.50 30.05 1myp s PRO 103 CO 0.31 -1.27 0.00 0.00 0.01 0.00 0.00 177.00 176.04