#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ivp s GLN 2 N 0.00 3.59 -0.10 0.54 2.00 -1.26 -5.09 119.66 119.34 1ivp s GLN 2 Ca 0.00 0.07 -0.03 0.00 -2.00 0.00 0.00 55.36 53.40 1ivp s GLN 2 Cb 0.00 -2.51 0.04 0.00 0.80 0.00 0.00 33.01 31.34 1ivp s GLN 2 CO 0.00 0.00 0.04 -0.06 -0.50 0.00 0.00 175.29 174.77 1ivp s PHE 3 N -2.43 0.43 0.33 1.67 0.08 -1.26 -5.12 117.98 111.67 1ivp s PHE 3 Ca 0.45 -0.16 -0.22 0.00 0.12 0.00 0.00 56.93 57.12 1ivp s PHE 3 Cb -0.10 -0.71 -0.10 0.00 -0.57 0.00 0.00 43.02 41.54 1ivp s PHE 3 CO 0.37 -0.36 0.88 -1.12 -0.10 0.00 0.00 175.22 174.89 1ivp s SER 4 N 2.05 7.13 -0.12 1.36 0.01 -1.26 -4.95 113.70 117.93 1ivp s SER 4 Ca 0.04 1.66 0.16 0.00 1.31 0.00 0.00 55.95 59.12 1ivp s SER 4 Cb -0.14 -2.52 0.62 0.00 0.21 0.00 0.00 66.02 64.20 1ivp s SER 4 CO -0.06 -0.13 1.54 0.18 0.41 0.00 0.00 173.24 175.18 1ivp n LEU 5 N 0.23 4.37 0.05 2.44 4.77 -1.26 -4.37 117.00 123.23 1ivp n LEU 5 Ca 0.02 -2.54 -0.00 0.00 -0.03 0.00 0.00 56.01 53.46 1ivp n LEU 5 Cb 0.51 -0.52 0.29 0.00 -2.33 0.00 0.00 43.42 41.37 1ivp n LEU 5 CO 0.42 0.75 0.83 -0.50 -1.33 0.00 0.00 177.39 177.57 1ivp h TRP 6 N 3.24 0.41 -2.45 -1.77 4.06 -2.06 -3.42 115.95 113.96 1ivp h TRP 6 Ca 0.00 -0.06 -0.61 0.00 2.06 0.00 0.00 58.89 60.27 1ivp h TRP 6 Cb 1.38 -0.11 -0.14 0.00 -1.00 0.00 0.00 29.16 29.29 1ivp h TRP 6 CO 0.65 0.54 -0.75 0.15 -3.56 0.00 0.00 178.44 175.46 1ivp s LYS 7 N -4.66 1.77 0.04 0.49 3.01 -1.26 -5.09 119.74 114.03 1ivp s LYS 7 Ca -0.06 -1.63 -0.30 0.00 -1.01 0.00 0.00 55.97 52.96 1ivp s LYS 7 Cb 0.15 -1.87 -0.07 0.00 -1.01 0.00 0.00 37.83 35.03 1ivp s LYS 7 CO 0.76 0.36 1.52 1.03 0.51 0.00 0.00 175.35 179.53 1ivp s ARG 8 N -3.32 4.24 -0.26 1.68 0.52 -1.26 -4.89 118.95 115.65 1ivp s ARG 8 Ca 0.28 2.15 -0.03 0.00 -0.52 0.00 0.00 55.73 57.61 1ivp s ARG 8 Cb -0.06 -3.57 -0.06 0.00 0.52 0.00 0.00 34.95 31.78 1ivp s ARG 8 CO 0.15 -0.65 1.58 -0.35 0.02 0.00 0.00 175.30 176.04 1ivp n PRO 9 N 5.44 0.93 -2.85 3.54 -0.04 -1.26 -4.90 135.00 135.85 1ivp n PRO 9 Ca 0.14 -0.69 -0.41 0.00 -0.04 0.00 0.00 63.50 62.50 1ivp n PRO 9 Cb 0.42 -1.96 -0.04 0.00 -0.04 0.00 0.00 33.50 31.88 1ivp n PRO 9 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ivp s VAL 10 N 3.22 4.88 0.28 0.52 1.01 -1.26 -2.85 120.40 126.19 1ivp s VAL 10 Ca 0.22 1.73 0.05 0.00 0.00 0.00 0.00 61.98 63.98 1ivp s VAL 10 Cb 0.08 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 32.23 1ivp s VAL 10 CO -0.01 0.05 -0.01 0.54 0.00 0.00 0.00 175.10 175.68 1ivp s VAL 11 N 1.90 1.34 -0.19 2.92 0.11 -0.06 -4.96 120.40 121.46 1ivp s VAL 11 Ca 0.41 -2.06 -0.08 0.00 -2.93 0.00 0.00 61.98 57.32 1ivp s VAL 11 Cb -0.17 -2.53 -0.04 0.00 -1.53 0.00 0.00 36.38 32.10 1ivp s VAL 11 CO 0.15 -0.21 0.09 0.42 -3.33 0.00 0.00 175.10 172.22 1ivp s THR 12 N -3.20 4.99 0.28 5.04 -4.23 -1.26 -0.08 115.64 117.18 1ivp s THR 12 Ca 0.31 0.04 0.12 0.00 -1.18 0.00 0.00 61.69 60.98 1ivp s THR 12 Cb 0.06 -3.27 -0.05 0.00 1.34 0.00 0.00 72.50 70.58 1ivp s THR 12 CO 0.12 0.44 -0.19 0.00 -0.54 0.00 0.00 174.62 174.45 1ivp s ALA 13 N 0.45 2.73 -0.43 3.99 0.00 1.44 -4.58 121.76 125.36 1ivp s ALA 13 Ca 0.05 -1.88 -0.08 0.00 0.00 0.00 0.00 51.96 50.05 1ivp s ALA 13 Cb -0.12 -0.24 0.09 0.00 0.00 0.00 0.00 23.12 22.85 1ivp s ALA 13 CO -0.00 0.26 0.27 0.71 0.00 0.00 0.00 175.76 177.00 1ivp s TYR 14 N -2.53 3.40 -0.92 0.00 2.02 -0.32 0.19 117.35 119.19 1ivp s TYR 14 Ca 0.30 -1.79 -0.17 0.00 -0.37 0.00 0.00 57.07 55.03 1ivp s TYR 14 Cb -0.05 -3.13 0.15 0.00 -0.40 0.00 0.00 41.96 38.54 1ivp s TYR 14 CO 0.15 -0.91 1.07 0.42 -1.57 0.00 0.00 175.55 174.71 1ivp s ILE 15 N 1.35 4.93 -0.70 2.71 1.01 0.71 -2.76 121.20 128.45 1ivp s ILE 15 Ca 0.04 -1.82 -0.03 0.00 0.00 0.00 0.00 60.65 58.84 1ivp s ILE 15 Cb -0.24 -4.72 0.00 0.00 0.01 0.00 0.00 42.46 37.51 1ivp s ILE 15 CO 0.00 -1.42 0.67 -0.62 0.00 0.00 0.00 174.94 173.58 1ivp n GLU 16 N 5.96 -1.52 0.00 2.79 1.02 -0.99 -2.58 120.64 125.32 1ivp n GLU 16 Ca 0.23 1.49 0.00 0.00 -0.02 0.00 0.00 57.16 58.85 1ivp n GLU 16 Cb 0.48 -5.18 0.00 0.00 -0.02 0.00 0.00 31.44 26.73 1ivp n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ivp n GLY 17 N -1.50 2.00 3.61 0.62 0.00 -1.26 -4.95 105.19 103.71 1ivp n GLY 17 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 1ivp n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ivp s GLN 18 N 0.00 3.89 0.29 1.61 -0.21 -1.06 -5.01 119.66 119.16 1ivp s GLN 18 Ca 0.00 0.74 -0.29 0.00 0.02 0.00 0.00 55.36 55.83 1ivp s GLN 18 Cb 0.00 -3.81 -0.10 0.00 1.00 0.00 0.00 33.01 30.11 1ivp s GLN 18 CO 0.00 -1.04 1.16 -2.14 -2.12 0.00 0.00 175.29 171.15 1ivp s PRO 19 N 3.78 4.55 -0.12 2.91 0.02 -1.26 0.25 135.00 145.13 1ivp s PRO 19 Ca 0.43 1.93 -0.26 0.00 0.02 0.00 0.00 61.00 63.11 1ivp s PRO 19 Cb -0.11 -3.16 0.06 0.00 0.02 0.00 0.00 34.50 31.32 1ivp s PRO 19 CO 0.21 0.08 0.64 0.08 -0.33 0.00 0.00 177.00 177.67 1ivp s VAL 20 N -1.08 0.01 -0.17 3.83 1.01 0.51 -4.85 120.40 119.67 1ivp s VAL 20 Ca 0.46 -0.05 -0.15 0.00 0.00 0.00 0.00 61.98 62.25 1ivp s VAL 20 Cb -0.34 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 1ivp s VAL 20 CO 0.44 -0.03 0.34 -1.83 0.00 0.00 0.00 175.10 174.03 1ivp s GLU 21 N -0.63 4.25 0.11 2.72 1.03 -1.26 0.42 118.70 125.35 1ivp s GLU 21 Ca -0.07 0.17 0.04 0.00 0.03 0.00 0.00 54.97 55.14 1ivp s GLU 21 Cb -0.02 -3.46 -0.04 0.00 -0.80 0.00 0.00 34.13 29.81 1ivp s GLU 21 CO 0.06 0.15 -0.11 0.14 -1.33 0.00 0.00 175.26 174.18 1ivp s VAL 22 N 0.71 1.07 -0.19 1.83 -7.23 0.89 -4.33 120.40 113.15 1ivp s VAL 22 Ca 0.18 -1.76 -0.08 0.00 -1.81 0.00 0.00 61.98 58.51 1ivp s VAL 22 Cb -0.14 -1.51 -0.04 0.00 0.56 0.00 0.00 36.38 35.25 1ivp s VAL 22 CO 0.06 -0.58 0.09 -0.22 -0.31 0.00 0.00 175.10 174.14 1ivp s LEU 23 N -2.62 3.95 -0.65 1.32 2.96 0.99 -0.89 118.68 123.74 1ivp s LEU 23 Ca 0.09 0.13 -0.27 0.00 -0.22 0.00 0.00 54.13 53.85 1ivp s LEU 23 Cb -0.02 -2.01 0.02 0.00 0.50 0.00 0.00 46.19 44.68 1ivp s LEU 23 CO 0.01 0.17 1.33 -0.76 -1.32 0.00 0.00 176.35 175.77 1ivp s LEU 24 N 0.43 3.30 -0.30 -0.68 1.02 -1.13 -0.29 118.68 121.03 1ivp s LEU 24 Ca 0.05 -0.09 0.03 0.00 0.02 0.00 0.00 54.13 54.13 1ivp s LEU 24 Cb -0.12 -2.82 0.08 0.00 0.02 0.00 0.00 46.19 43.34 1ivp s LEU 24 CO -0.00 -1.76 -0.02 -0.62 0.02 0.00 0.00 176.35 173.97 1ivp s ASP 25 N 3.98 4.65 0.00 2.29 -1.08 -0.60 -4.82 116.67 121.08 1ivp s ASP 25 Ca 0.43 -1.71 0.00 0.00 -0.52 0.00 0.00 52.55 50.75 1ivp s ASP 25 Cb -0.09 -1.61 0.00 0.00 -1.46 0.00 0.00 42.92 39.77 1ivp s ASP 25 CO 0.20 -0.29 0.64 0.35 0.52 0.00 0.00 175.17 176.60 1ivp n THR 26 N 4.38 0.00 -1.73 1.71 -2.24 -1.26 -2.86 114.28 112.27 1ivp n THR 26 Ca -0.06 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.77 1ivp n THR 26 Cb 0.42 -0.18 0.10 0.00 -2.10 0.00 0.00 70.33 68.57 1ivp n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ivp n GLY 27 N 0.17 3.02 3.14 3.38 0.00 -1.26 -4.92 105.19 108.72 1ivp n GLY 27 Ca 0.00 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 1ivp n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ivp s ALA 28 N -1.63 1.81 0.03 4.61 0.00 -1.14 -5.03 121.76 120.42 1ivp s ALA 28 Ca 0.26 -0.75 0.06 0.00 0.00 0.00 0.00 51.96 51.53 1ivp s ALA 28 Cb 0.25 -0.72 -0.24 0.00 0.00 0.00 0.00 23.12 22.42 1ivp s ALA 28 CO -0.04 0.22 0.96 -0.44 0.00 0.00 0.00 175.76 176.46 1ivp h ASP 29 N 6.82 0.11 -3.29 0.00 5.19 -1.93 0.28 116.42 123.59 1ivp h ASP 29 Ca -0.24 -0.16 -0.46 0.00 -0.62 0.00 0.00 57.03 55.56 1ivp h ASP 29 Cb 1.22 -0.04 -0.14 0.00 0.18 0.00 0.00 39.33 40.55 1ivp h ASP 29 CO 0.47 1.13 -0.63 -1.81 -3.12 0.00 0.00 179.24 175.28 1ivp s ASP 30 N -6.59 2.36 -0.18 6.45 1.01 -1.26 -3.42 116.67 115.04 1ivp s ASP 30 Ca -0.04 -1.30 -0.04 0.00 0.71 0.00 0.00 52.55 51.88 1ivp s ASP 30 Cb 0.08 -0.09 -0.03 0.00 1.01 0.00 0.00 42.92 43.90 1ivp s ASP 30 CO 0.83 -0.53 -0.02 -0.44 0.21 0.00 0.00 175.17 175.22 1ivp s SER 31 N -3.44 4.81 -0.13 0.27 0.01 -1.26 -3.58 113.70 110.39 1ivp s SER 31 Ca 0.33 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.43 1ivp s SER 31 Cb 0.07 -1.80 0.02 0.00 0.21 0.00 0.00 66.02 64.52 1ivp s SER 31 CO 0.13 0.12 -0.11 -0.63 0.41 0.00 0.00 173.24 173.16 1ivp s ILE 32 N 0.66 1.28 -0.05 1.44 1.01 -0.71 -1.93 121.20 122.90 1ivp s ILE 32 Ca -0.01 -0.45 0.06 0.00 0.00 0.00 0.00 60.65 60.25 1ivp s ILE 32 Cb -0.14 -1.24 -0.01 0.00 0.01 0.00 0.00 42.46 41.07 1ivp s ILE 32 CO 0.02 0.41 -0.25 -0.69 0.00 0.00 0.00 174.94 174.44 1ivp s VAL 33 N 1.55 2.12 0.83 2.92 1.01 -1.02 -1.72 120.40 126.10 1ivp s VAL 33 Ca 0.04 -1.06 -0.10 0.00 0.00 0.00 0.00 61.98 60.87 1ivp s VAL 33 Cb -0.13 -1.76 0.18 0.00 0.00 0.00 0.00 36.38 34.67 1ivp s VAL 33 CO -0.09 0.57 1.13 0.00 0.00 0.00 0.00 175.10 176.72 1ivp n ALA 34 N 2.76 -0.82 0.00 5.51 0.00 -1.25 -2.40 120.51 124.32 1ivp n ALA 34 Ca -0.17 -1.71 0.00 0.00 0.00 0.00 0.00 53.44 51.56 1ivp n ALA 34 Cb 0.52 0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1ivp n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ivp n GLY 35 N -2.81 0.00 3.08 0.00 0.00 -1.26 -4.89 105.19 99.30 1ivp n GLY 35 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 1ivp n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ivp s ILE 36 N 0.00 0.60 -0.25 -0.61 -4.36 -1.26 -5.14 121.20 110.18 1ivp s ILE 36 Ca 0.00 -1.16 -0.06 0.00 -0.26 0.00 0.00 60.65 59.17 1ivp s ILE 36 Cb 0.00 -0.73 -0.01 0.00 1.25 0.00 0.00 42.46 42.97 1ivp s ILE 36 CO 0.00 -0.41 0.04 -0.70 0.24 0.00 0.00 174.94 174.11 1ivp s GLU 37 N -1.76 3.43 0.00 0.37 2.56 -1.26 -4.93 118.70 117.11 1ivp s GLU 37 Ca -0.08 -0.62 0.04 0.00 0.00 0.00 0.00 54.97 54.32 1ivp s GLU 37 Cb -0.09 -3.24 0.00 0.00 2.00 0.00 0.00 34.13 32.80 1ivp s GLU 37 CO 0.00 -0.26 0.44 1.28 -0.56 0.00 0.00 175.26 176.16 1ivp n LEU 38 N 4.87 0.85 0.00 2.70 4.77 -1.26 -5.07 117.00 123.86 1ivp n LEU 38 Ca -0.16 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 1ivp n LEU 38 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1ivp n LEU 38 CO 0.30 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1ivp n GLY 39 N 0.64 0.30 0.00 -0.72 0.00 -1.26 -4.78 105.19 99.37 1ivp n GLY 39 Ca 0.02 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1ivp n GLY 39 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ivp n ASN 40 N 0.00 2.30 -3.61 1.61 3.02 -1.26 -4.91 115.26 112.41 1ivp n ASN 40 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 1ivp n ASN 40 Cb 0.00 0.38 -0.01 0.00 -0.61 0.00 0.00 39.78 39.55 1ivp n ASN 40 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1ivp n ASN 41 N -0.86 5.84 -4.50 6.41 3.02 -1.26 -4.89 115.26 119.02 1ivp n ASN 41 Ca 0.00 -2.84 -0.25 0.00 -0.03 0.00 0.00 54.58 51.47 1ivp n ASN 41 Cb 0.08 -1.57 -0.10 0.00 -0.61 0.00 0.00 39.78 37.57 1ivp n ASN 41 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1ivp s TYR 42 N 2.05 2.39 -0.03 3.10 -0.85 -1.26 -4.56 117.35 118.19 1ivp s TYR 42 Ca 0.53 -0.31 -0.00 0.00 -0.52 0.00 0.00 57.07 56.77 1ivp s TYR 42 Cb 0.15 -1.08 0.03 0.00 0.38 0.00 0.00 41.96 41.44 1ivp s TYR 42 CO -0.07 0.65 0.01 -1.54 -1.52 0.00 0.00 175.55 173.08 1ivp s SER 43 N -3.33 0.62 0.20 -0.18 1.04 -1.10 -4.96 113.70 105.98 1ivp s SER 43 Ca 0.28 -0.01 -0.30 0.00 0.48 0.00 0.00 55.95 56.40 1ivp s SER 43 Cb -0.06 -0.22 -0.08 0.00 0.10 0.00 0.00 66.02 65.76 1ivp s SER 43 CO 0.15 -0.13 1.06 -2.84 0.98 0.00 0.00 173.24 172.45 1ivp s PRO 44 N 1.29 4.66 0.11 4.02 0.02 -1.26 0.08 135.00 143.93 1ivp s PRO 44 Ca -0.06 1.66 -0.00 0.00 0.02 0.00 0.00 61.00 62.62 1ivp s PRO 44 Cb -0.13 -3.27 -0.04 0.00 0.02 0.00 0.00 34.50 31.07 1ivp s PRO 44 CO -0.02 0.19 0.00 0.15 -0.33 0.00 0.00 177.00 176.99 1ivp s LYS 45 N -0.65 0.87 -0.02 5.54 -0.14 0.14 -4.90 119.74 120.57 1ivp s LYS 45 Ca 0.47 -1.38 0.08 0.00 -1.36 0.00 0.00 55.97 53.77 1ivp s LYS 45 Cb -0.28 0.06 -0.02 0.00 -1.68 0.00 0.00 37.83 35.91 1ivp s LYS 45 CO 0.35 -0.16 -0.25 0.96 -0.76 0.00 0.00 175.35 175.49 1ivp s ILE 46 N -3.87 2.00 0.24 2.17 -4.36 -1.26 0.45 121.20 116.56 1ivp s ILE 46 Ca 0.18 -1.08 0.11 0.00 -0.26 0.00 0.00 60.65 59.60 1ivp s ILE 46 Cb 0.07 -1.66 -0.05 0.00 1.25 0.00 0.00 42.46 42.07 1ivp s ILE 46 CO -0.02 0.56 -0.14 0.68 0.24 0.00 0.00 174.94 176.26 1ivp s VAL 47 N -0.55 2.81 0.16 8.37 -7.23 0.21 -4.93 120.40 119.25 1ivp s VAL 47 Ca 0.08 -2.06 0.07 0.00 -1.81 0.00 0.00 61.98 58.26 1ivp s VAL 47 Cb -0.10 -2.44 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 1ivp s VAL 47 CO -0.01 -0.27 -0.15 -0.83 -0.31 0.00 0.00 175.10 173.54 1ivp s GLY 48 N -3.22 1.26 0.00 2.32 0.00 -1.26 0.10 107.32 106.52 1ivp s GLY 48 Ca 0.27 -1.48 0.00 0.00 0.00 0.00 0.00 44.72 43.51 1ivp s GLY 48 CO 0.15 -1.55 0.00 0.61 0.00 0.00 0.00 173.10 172.31 1ivp n GLY 49 N 0.10 1.82 0.35 0.20 0.00 0.47 -4.97 105.19 103.16 1ivp n GLY 49 Ca -0.12 -0.81 0.04 0.00 0.00 0.00 0.00 46.02 45.13 1ivp n GLY 49 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1ivp h ILE 50 N 0.49 1.08 0.00 -0.61 -0.00 -2.03 -3.12 117.51 113.32 1ivp h ILE 50 Ca 0.00 -0.31 0.00 0.00 -0.00 0.00 0.00 64.86 64.55 1ivp h ILE 50 Cb 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 36.82 36.92 1ivp h ILE 50 CO 0.00 0.17 -0.27 1.23 -0.00 0.00 0.00 178.15 179.28 1ivp h GLY 51 N 0.91 0.00 0.00 0.16 0.00 -2.02 -3.49 103.07 98.62 1ivp h GLY 51 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1ivp h GLY 51 CO -0.10 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.05 1ivp n GLY 52 N 1.19 -0.21 3.19 4.60 0.00 -1.18 -5.12 105.19 107.66 1ivp n GLY 52 Ca 0.03 -0.54 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 1ivp n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ivp s PHE 53 N -2.10 1.99 0.25 1.61 0.08 -1.26 -0.40 117.98 118.16 1ivp s PHE 53 Ca 0.00 -0.57 0.10 0.00 0.12 0.00 0.00 56.93 56.59 1ivp s PHE 53 Cb 0.00 -1.32 -0.05 0.00 -0.57 0.00 0.00 43.02 41.08 1ivp s PHE 53 CO 0.00 -0.17 -0.10 0.42 -0.10 0.00 0.00 175.22 175.27 1ivp s ILE 54 N -0.08 3.03 -0.08 0.64 1.01 0.29 -4.95 121.20 121.06 1ivp s ILE 54 Ca -0.03 -2.03 -0.11 0.00 0.00 0.00 0.00 60.65 58.49 1ivp s ILE 54 Cb -0.12 -2.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.72 1ivp s ILE 54 CO 0.02 -0.32 0.26 0.20 0.00 0.00 0.00 174.94 175.11 1ivp s ASN 55 N -3.40 6.55 0.27 3.58 0.01 -1.26 -0.62 114.94 120.07 1ivp s ASN 55 Ca 0.29 0.66 0.02 0.00 -0.71 0.00 0.00 52.86 53.12 1ivp s ASN 55 Cb -0.07 -2.16 -0.05 0.00 0.41 0.00 0.00 41.25 39.39 1ivp s ASN 55 CO 0.17 0.33 0.11 0.42 -1.51 0.00 0.00 177.10 176.62 1ivp s THR 56 N -0.81 0.52 -0.30 1.60 -4.23 1.56 -4.62 115.64 109.36 1ivp s THR 56 Ca 0.18 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.73 1ivp s THR 56 Cb -0.14 -2.61 0.08 0.00 1.34 0.00 0.00 72.50 71.17 1ivp s THR 56 CO 0.07 0.00 -0.01 -0.76 -0.54 0.00 0.00 174.62 173.38 1ivp s LEU 57 N -3.33 4.06 -0.22 4.79 1.02 -0.78 0.27 118.68 124.49 1ivp s LEU 57 Ca 0.37 -1.80 -0.20 0.00 0.02 0.00 0.00 54.13 52.51 1ivp s LEU 57 Cb 0.07 -1.55 -0.02 0.00 0.02 0.00 0.00 46.19 44.71 1ivp s LEU 57 CO 0.14 -0.30 0.62 -0.70 0.02 0.00 0.00 176.35 176.13 1ivp s GLU 58 N 1.03 4.17 -0.00 1.70 2.56 0.11 0.29 118.70 128.56 1ivp s GLU 58 Ca 0.03 0.58 0.08 0.00 0.00 0.00 0.00 54.97 55.66 1ivp s GLU 58 Cb -0.19 -3.61 -0.02 0.00 2.00 0.00 0.00 34.13 32.31 1ivp s GLU 58 CO -0.07 -0.31 -0.25 0.71 -0.56 0.00 0.00 175.26 174.78 1ivp s TYR 59 N 2.14 2.36 0.34 5.30 1.51 0.11 -2.72 117.35 126.40 1ivp s TYR 59 Ca 0.27 -0.41 0.07 0.00 -1.01 0.00 0.00 57.07 56.00 1ivp s TYR 59 Cb -0.16 -1.48 -0.03 0.00 -0.11 0.00 0.00 41.96 40.19 1ivp s TYR 59 CO 0.09 0.03 0.30 0.15 -1.11 0.00 0.00 175.55 175.02 1ivp s LYS 60 N -0.82 2.71 -0.52 -0.62 1.02 -1.26 0.13 119.74 120.37 1ivp s LYS 60 Ca 0.11 -1.31 -0.01 0.00 0.02 0.00 0.00 55.97 54.78 1ivp s LYS 60 Cb -0.10 -2.47 0.00 0.00 -0.52 0.00 0.00 37.83 34.74 1ivp s LYS 60 CO 0.00 0.07 0.01 0.09 -0.92 0.00 0.00 175.35 174.61 1ivp n ASN 61 N -1.39 0.23 -4.83 2.83 3.02 -1.25 -4.84 115.26 109.03 1ivp n ASN 61 Ca -0.01 -0.43 -0.32 0.00 -0.03 0.00 0.00 54.58 53.78 1ivp n ASN 61 Cb 0.60 -0.54 -0.04 0.00 -0.61 0.00 0.00 39.78 39.19 1ivp n ASN 61 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1ivp s VAL 62 N -3.53 4.43 0.01 2.41 -7.23 -0.98 -4.51 120.40 111.00 1ivp s VAL 62 Ca 0.01 1.27 -0.19 0.00 -1.81 0.00 0.00 61.98 61.26 1ivp s VAL 62 Cb -0.01 -3.66 -0.06 0.00 0.56 0.00 0.00 36.38 33.22 1ivp s VAL 62 CO 0.34 -0.57 0.55 -1.61 -0.31 0.00 0.00 175.10 173.50 1ivp s GLU 63 N -3.81 4.23 -0.01 4.82 2.02 -1.26 -0.71 118.70 123.99 1ivp s GLU 63 Ca 0.60 0.66 0.01 0.00 0.02 0.00 0.00 54.97 56.26 1ivp s GLU 63 Cb -0.10 -3.31 0.01 0.00 0.10 0.00 0.00 34.13 30.83 1ivp s GLU 63 CO 0.26 0.47 -0.02 0.42 0.02 0.00 0.00 175.26 176.41 1ivp s ILE 64 N -0.50 0.22 -0.11 -1.63 1.01 0.55 -2.35 121.20 118.40 1ivp s ILE 64 Ca 0.29 -0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.88 1ivp s ILE 64 Cb -0.18 -0.23 0.02 0.00 0.01 0.00 0.00 42.46 42.08 1ivp s ILE 64 CO 0.16 0.09 -0.15 -0.70 0.00 0.00 0.00 174.94 174.35 1ivp s GLU 65 N 0.22 2.16 -0.11 2.79 2.12 -1.11 -0.26 118.70 124.50 1ivp s GLU 65 Ca -0.02 -0.54 -0.15 0.00 0.36 0.00 0.00 54.97 54.63 1ivp s GLU 65 Cb -0.05 -1.87 0.04 0.00 0.26 0.00 0.00 34.13 32.51 1ivp s GLU 65 CO -0.01 -0.08 0.39 0.54 -0.54 0.00 0.00 175.26 175.56 1ivp s VAL 66 N 1.05 0.01 -1.41 3.70 0.11 -0.73 -1.17 120.40 121.97 1ivp s VAL 66 Ca -0.05 -0.12 -0.09 0.00 -2.93 0.00 0.00 61.98 58.79 1ivp s VAL 66 Cb -0.15 -0.59 0.05 0.00 -1.53 0.00 0.00 36.38 34.16 1ivp s VAL 66 CO -0.02 -0.07 0.62 0.18 -3.33 0.00 0.00 175.10 172.48 1ivp n LEU 67 N 2.38 -2.11 -2.45 2.54 4.77 -1.26 -1.06 117.00 119.81 1ivp n LEU 67 Ca -0.15 -0.42 -0.18 0.00 -0.03 0.00 0.00 56.01 55.22 1ivp n LEU 67 Cb 0.57 -2.49 -0.01 0.00 -2.33 0.00 0.00 43.42 39.17 1ivp n LEU 67 CO 0.16 0.24 -0.22 -3.20 -1.33 0.00 0.00 177.39 173.04 1ivp n ASN 68 N -2.47 -5.27 -4.29 -1.43 5.15 -1.26 -4.96 115.26 100.73 1ivp n ASN 68 Ca -0.04 0.04 -0.20 0.00 -0.60 0.00 0.00 54.58 53.78 1ivp n ASN 68 Cb 0.56 -4.40 -0.11 0.00 -0.53 0.00 0.00 39.78 35.30 1ivp n ASN 68 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1ivp s LYS 69 N -5.08 1.17 0.17 1.20 2.20 -0.22 -5.15 119.74 114.03 1ivp s LYS 69 Ca 0.02 -1.35 0.05 0.00 -0.36 0.00 0.00 55.97 54.32 1ivp s LYS 69 Cb -0.01 -1.12 -0.04 0.00 -1.51 0.00 0.00 37.83 35.15 1ivp s LYS 69 CO 0.02 0.22 0.14 0.15 -0.36 0.00 0.00 175.35 175.52 1ivp s LYS 70 N -2.83 2.90 -0.14 4.03 -0.14 -1.26 -1.77 119.74 120.54 1ivp s LYS 70 Ca 0.13 -0.88 -0.31 0.00 -1.36 0.00 0.00 55.97 53.56 1ivp s LYS 70 Cb -0.05 -2.64 0.13 0.00 -1.68 0.00 0.00 37.83 33.59 1ivp s LYS 70 CO 0.05 0.48 1.06 0.08 -0.76 0.00 0.00 175.35 176.26 1ivp s VAL 71 N -1.77 0.00 -0.14 3.17 1.01 0.63 -4.93 120.40 118.37 1ivp s VAL 71 Ca 0.31 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.30 1ivp s VAL 71 Cb -0.10 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.30 1ivp s VAL 71 CO 0.23 0.00 -0.16 -0.60 0.00 0.00 0.00 175.10 174.57 1ivp s ARG 72 N -2.00 2.44 0.13 2.72 3.52 -1.25 0.21 118.95 124.72 1ivp s ARG 72 Ca 0.04 -0.63 -0.24 0.00 -0.13 0.00 0.00 55.73 54.77 1ivp s ARG 72 Cb -0.01 -2.14 0.07 0.00 -1.56 0.00 0.00 34.95 31.31 1ivp s ARG 72 CO -0.04 -0.16 0.64 0.00 -0.81 0.00 0.00 175.30 174.92 1ivp s ALA 73 N 1.26 -1.63 0.20 6.12 0.00 0.12 -4.81 121.76 123.02 1ivp s ALA 73 Ca 0.01 0.60 -0.32 0.00 0.00 0.00 0.00 51.96 52.24 1ivp s ALA 73 Cb -0.14 0.78 -0.14 0.00 0.00 0.00 0.00 23.12 23.63 1ivp s ALA 73 CO -0.08 -0.73 1.50 2.41 0.00 0.00 0.00 175.76 178.86 1ivp n THR 74 N -0.28 0.48 -4.41 0.00 -1.04 -1.26 -2.31 114.28 105.45 1ivp n THR 74 Ca -0.16 -0.12 -0.30 0.00 -2.04 0.00 0.00 64.05 61.42 1ivp n THR 74 Cb 0.64 -1.54 -0.17 0.00 -1.82 0.00 0.00 70.33 67.45 1ivp n THR 74 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1ivp s ILE 75 N 0.43 1.72 -0.23 12.58 -1.09 0.12 -4.69 121.20 130.03 1ivp s ILE 75 Ca 0.73 -0.76 -0.06 0.00 -2.23 0.00 0.00 60.65 58.33 1ivp s ILE 75 Cb -0.65 -1.56 -0.03 0.00 -1.58 0.00 0.00 42.46 38.64 1ivp s ILE 75 CO 0.44 0.48 0.04 -0.32 -1.23 0.00 0.00 174.94 174.35 1ivp s MET 76 N 1.05 3.64 0.13 2.79 1.75 -0.81 0.08 119.30 127.93 1ivp s MET 76 Ca -0.04 -0.49 -0.05 0.00 -1.25 0.00 0.00 55.69 53.85 1ivp s MET 76 Cb -0.15 -3.23 -0.06 0.00 2.84 0.00 0.00 34.83 34.23 1ivp s MET 76 CO -0.04 -0.12 0.37 0.99 -0.65 0.00 0.00 175.02 175.57 1ivp s THR 77 N 1.40 5.16 0.00 10.11 2.01 0.14 -2.42 115.64 132.04 1ivp s THR 77 Ca 0.05 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.14 1ivp s THR 77 Cb -0.15 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.74 1ivp s THR 77 CO 0.02 0.09 0.00 0.61 -0.69 0.00 0.00 174.62 174.65 1ivp n GLY 78 N 0.24 -0.94 2.80 4.40 0.00 -1.01 -1.87 105.19 108.80 1ivp n GLY 78 Ca -0.04 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 1ivp n GLY 78 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ivp n ASP 79 N 0.00 5.11 -4.59 1.61 -0.08 -1.26 -3.75 116.55 113.59 1ivp n ASP 79 Ca 0.00 -3.05 -0.34 0.00 -1.51 0.00 0.00 54.79 49.89 1ivp n ASP 79 Cb 0.00 -1.51 -0.11 0.00 2.34 0.00 0.00 41.12 41.85 1ivp n ASP 79 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1ivp s THR 80 N 0.89 4.33 0.48 5.18 -1.32 -1.26 -5.01 115.64 118.92 1ivp s THR 80 Ca 0.43 -0.21 0.14 0.00 -1.21 0.00 0.00 61.69 60.84 1ivp s THR 80 Cb 0.11 -2.90 0.29 0.00 -1.51 0.00 0.00 72.50 68.49 1ivp s THR 80 CO -0.02 0.51 2.09 -0.65 -2.21 0.00 0.00 174.62 174.34 1ivp h PRO 81 N 6.33 0.20 -4.06 7.08 0.11 -1.98 -3.43 132.00 136.25 1ivp h PRO 81 Ca -0.38 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.56 1ivp h PRO 81 Cb 1.18 -0.05 -0.19 0.00 0.11 0.00 0.00 31.00 32.05 1ivp h PRO 81 CO 0.64 0.13 -0.69 0.42 -0.21 0.00 0.00 178.00 178.28 1ivp s ILE 82 N -5.22 0.15 -0.33 4.15 1.01 -1.26 -5.10 121.20 114.60 1ivp s ILE 82 Ca -0.06 -1.16 -0.29 0.00 0.00 0.00 0.00 60.65 59.14 1ivp s ILE 82 Cb 0.18 -0.61 0.02 0.00 0.01 0.00 0.00 42.46 42.05 1ivp s ILE 82 CO 0.70 -0.64 1.08 0.20 0.00 0.00 0.00 174.94 176.29 1ivp s ASN 83 N -1.86 6.91 -0.14 3.58 0.01 -1.26 -4.85 114.94 117.32 1ivp s ASN 83 Ca -0.10 1.02 -0.06 0.00 -0.71 0.00 0.00 52.86 53.01 1ivp s ASN 83 Cb -0.05 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.03 1ivp s ASN 83 CO -0.03 -0.91 0.08 0.27 -1.51 0.00 0.00 177.10 175.00 1ivp s ILE 84 N 3.71 4.98 -0.42 0.60 -4.36 -0.70 -0.01 121.20 125.01 1ivp s ILE 84 Ca 0.46 0.02 -0.03 0.00 -0.26 0.00 0.00 60.65 60.84 1ivp s ILE 84 Cb -0.12 -3.19 0.11 0.00 1.25 0.00 0.00 42.46 40.51 1ivp s ILE 84 CO 0.16 0.54 0.22 -0.36 0.24 0.00 0.00 174.94 175.75 1ivp s PHE 85 N -0.39 3.58 0.22 1.37 0.40 0.60 -1.75 117.98 122.02 1ivp s PHE 85 Ca 0.10 -2.47 -0.03 0.00 -0.60 0.00 0.00 56.93 53.93 1ivp s PHE 85 Cb -0.12 -3.21 0.05 0.00 0.51 0.00 0.00 43.02 40.25 1ivp s PHE 85 CO 0.02 -0.96 0.29 0.41 0.70 0.00 0.00 175.22 175.68 1ivp n GLY 86 N 4.49 -0.80 0.35 4.36 0.00 -1.23 -1.56 105.19 110.80 1ivp n GLY 86 Ca -0.01 -1.74 0.18 0.00 0.00 0.00 0.00 46.02 44.45 1ivp n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ivp h ARG 87 N 0.00 0.00 -0.45 1.61 3.08 -0.56 -2.67 114.38 115.39 1ivp h ARG 87 Ca -0.10 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 1ivp h ARG 87 Cb 0.28 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1ivp h ARG 87 CO 0.07 0.00 0.14 -2.95 -1.07 0.00 0.00 179.97 176.17 1ivp h ASN 88 N 0.00 0.60 0.22 7.04 -1.07 -1.81 -1.95 115.58 118.62 1ivp h ASN 88 Ca 0.15 -0.08 -0.35 0.00 0.07 0.00 0.00 56.30 56.09 1ivp h ASN 88 Cb 0.73 -0.15 -0.03 0.00 -2.07 0.00 0.00 38.32 36.79 1ivp h ASN 88 CO -0.00 0.57 -1.94 -0.38 0.07 0.00 0.00 177.43 175.75 1ivp n ILE 89 N -4.33 1.72 0.00 6.14 5.41 -1.07 -3.72 119.36 123.51 1ivp n ILE 89 Ca 0.03 -0.70 0.10 0.00 1.00 0.00 0.00 62.75 63.18 1ivp n ILE 89 Cb 0.18 -1.51 0.52 0.00 -0.71 0.00 0.00 39.64 38.12 1ivp n ILE 89 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1ivp h LEU 90 N 0.05 0.30 -0.06 1.39 4.07 -1.37 -0.65 115.31 119.04 1ivp h LEU 90 Ca -0.39 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.35 1ivp h LEU 90 Cb 2.03 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 43.69 1ivp h LEU 90 CO 0.08 0.20 -1.02 0.71 -1.08 0.00 0.00 178.44 177.32 1ivp h THR 91 N 0.34 1.60 -0.63 0.22 1.35 -1.49 -1.38 112.91 112.92 1ivp h THR 91 Ca 0.20 -3.11 -0.09 0.00 -0.55 0.00 0.00 66.41 62.86 1ivp h THR 91 Cb 0.34 2.77 -0.02 0.00 -1.73 0.00 0.00 68.15 69.50 1ivp h THR 91 CO -0.05 0.90 0.05 0.00 -0.25 0.00 0.00 175.52 176.17 1ivp h ALA 92 N 0.90 0.85 0.00 6.62 0.00 -1.45 -2.69 119.26 123.49 1ivp h ALA 92 Ca -0.05 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1ivp h ALA 92 Cb 1.74 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1ivp h ALA 92 CO 0.15 0.66 -0.09 -0.07 0.00 0.00 0.00 179.25 179.89 1ivp h LEU 93 N 1.00 0.00 0.00 0.00 3.38 -1.18 -3.48 115.31 115.03 1ivp h LEU 93 Ca 0.19 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1ivp h LEU 93 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1ivp h LEU 93 CO 0.02 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.17 1ivp n GLY 94 N 1.25 0.48 3.80 0.83 0.00 -1.01 -5.05 105.19 105.49 1ivp n GLY 94 Ca 0.05 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 1ivp n GLY 94 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ivp s MET 95 N -3.16 3.05 0.26 1.61 -1.94 -0.54 -5.02 119.30 113.56 1ivp s MET 95 Ca 0.00 1.14 -0.09 0.00 -1.71 0.00 0.00 55.69 55.03 1ivp s MET 95 Cb 0.00 -2.00 -0.01 0.00 2.01 0.00 0.00 34.83 34.83 1ivp s MET 95 CO 0.00 -1.02 0.41 -1.54 -0.01 0.00 0.00 175.02 172.86 1ivp s SER 96 N -3.14 0.14 -0.11 3.03 1.04 -1.26 -4.73 113.70 108.66 1ivp s SER 96 Ca 0.62 -1.13 0.03 0.00 0.48 0.00 0.00 55.95 55.95 1ivp s SER 96 Cb -0.16 0.56 -0.00 0.00 0.10 0.00 0.00 66.02 66.52 1ivp s SER 96 CO 0.45 -1.12 -0.22 -0.76 0.98 0.00 0.00 173.24 172.57 1ivp s LEU 97 N -3.09 2.20 0.04 2.42 1.43 -1.26 -5.09 118.68 115.33 1ivp s LEU 97 Ca 0.27 -0.53 0.07 0.00 -1.03 0.00 0.00 54.13 52.91 1ivp s LEU 97 Cb 0.01 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.75 1ivp s LEU 97 CO 0.12 0.15 -0.21 0.20 0.23 0.00 0.00 176.35 176.83 1ivp s ASN 98 N 0.43 2.52 0.00 2.29 0.01 -1.26 -5.29 114.94 113.64 1ivp s ASN 98 Ca -0.16 -0.52 0.26 0.00 -0.71 0.00 0.00 52.86 51.73 1ivp s ASN 98 Cb -0.17 -0.21 0.55 0.00 0.41 0.00 0.00 41.25 41.82 1ivp s ASN 98 CO 0.07 0.17 1.46 -0.11 -1.51 0.00 0.00 177.10 177.18