#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 0.08 -0.05 0.54 0.74 -1.26 -5.18 119.66 114.53 1ivp s GLN 2 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 55.36 55.39 1ivp s GLN 2 Cb 0.00 0.04 0.03 0.00 1.10 0.00 0.00 33.01 34.17 1ivp s GLN 2 CO 0.00 -0.03 0.10 -0.06 -0.55 0.00 0.00 175.29 174.76 1ivp s PHE 3 N -1.33 -0.10 0.43 1.67 0.40 -1.26 -5.16 117.98 112.63 1ivp s PHE 3 Ca 0.09 0.33 -0.03 0.00 -0.60 0.00 0.00 56.93 56.72 1ivp s PHE 3 Cb -0.01 -0.07 -0.03 0.00 0.51 0.00 0.00 43.02 43.42 1ivp s PHE 3 CO -0.06 -0.11 0.69 -1.12 0.70 0.00 0.00 175.22 175.32 1ivp s SER 4 N 0.73 6.27 -0.07 1.36 0.01 -1.26 -5.02 113.70 115.71 1ivp s SER 4 Ca -0.06 0.73 0.19 0.00 1.31 0.00 0.00 55.95 58.12 1ivp s SER 4 Cb -0.08 -2.15 0.66 0.00 0.21 0.00 0.00 66.02 64.66 1ivp s SER 4 CO -0.03 -0.47 1.57 0.18 0.41 0.00 0.00 173.24 174.90 1ivp n LEU 5 N -2.07 4.36 -0.13 2.44 4.32 -1.26 -4.40 117.00 120.27 1ivp n LEU 5 Ca -0.02 -2.31 -0.07 0.00 -0.02 0.00 0.00 56.01 53.60 1ivp n LEU 5 Cb 0.56 -0.52 0.01 0.00 -1.62 0.00 0.00 43.42 41.85 1ivp n LEU 5 CO 0.51 0.85 1.01 -0.50 -1.22 0.00 0.00 177.39 178.05 1ivp h TRP 6 N 3.88 0.42 -2.75 -1.77 -0.00 -2.07 -3.43 115.95 110.24 1ivp h TRP 6 Ca 0.00 0.01 -0.63 0.00 -0.00 0.00 0.00 58.89 58.28 1ivp h TRP 6 Cb 1.27 -0.13 -0.15 0.00 -0.00 0.00 0.00 29.16 30.14 1ivp h TRP 6 CO 0.64 0.24 -0.77 0.15 -0.00 0.00 0.00 178.44 178.70 1ivp s LYS 7 N -6.15 1.75 0.21 0.49 3.01 -1.26 -5.08 119.74 112.70 1ivp s LYS 7 Ca -0.13 -1.54 -0.32 0.00 -1.01 0.00 0.00 55.97 52.97 1ivp s LYS 7 Cb 0.12 -1.91 -0.13 0.00 -1.01 0.00 0.00 37.83 34.89 1ivp s LYS 7 CO 0.72 0.38 1.59 0.54 0.51 0.00 0.00 175.35 179.09 1ivp n ARG 8 N -0.17 2.42 -1.92 1.68 1.74 -1.26 -4.83 116.66 114.30 1ivp n ARG 8 Ca -0.09 0.87 -0.40 0.00 -0.77 0.00 0.00 57.85 57.45 1ivp n ARG 8 Cb 0.57 -2.64 -0.02 0.00 -1.02 0.00 0.00 32.46 29.35 1ivp n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1ivp n PRO 9 N 3.07 2.48 -3.64 5.56 -0.04 -1.26 -4.94 135.00 136.23 1ivp n PRO 9 Ca 0.14 -2.63 -0.36 0.00 -0.04 0.00 0.00 63.50 60.61 1ivp n PRO 9 Cb 0.33 -3.35 -0.09 0.00 -0.04 0.00 0.00 33.50 30.34 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 5.17 5.35 0.22 0.52 1.01 -1.26 -1.37 120.40 130.04 1ivp s VAL 10 Ca 0.55 0.24 0.08 0.00 0.00 0.00 0.00 61.98 62.85 1ivp s VAL 10 Cb 0.09 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 1ivp s VAL 10 CO 0.04 0.35 -0.14 0.54 0.00 0.00 0.00 175.10 175.90 1ivp s VAL 11 N 0.96 1.80 -0.39 2.92 0.11 0.87 -4.89 120.40 121.78 1ivp s VAL 11 Ca 0.09 -2.22 -0.18 0.00 -2.93 0.00 0.00 61.98 56.74 1ivp s VAL 11 Cb -0.13 -2.13 0.01 0.00 -1.53 0.00 0.00 36.38 32.60 1ivp s VAL 11 CO 0.04 -0.53 0.50 -0.89 -3.33 0.00 0.00 175.10 170.88 1ivp s THR 12 N -2.93 5.02 0.42 5.04 2.01 -1.26 0.13 115.64 124.07 1ivp s THR 12 Ca 0.24 0.06 0.07 0.00 0.31 0.00 0.00 61.69 62.38 1ivp s THR 12 Cb -0.01 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 1ivp s THR 12 CO 0.08 -0.33 0.26 0.00 -0.69 0.00 0.00 174.62 173.94 1ivp s ALA 13 N 2.35 3.78 -0.25 7.40 0.00 0.57 -4.53 121.76 131.08 1ivp s ALA 13 Ca 0.17 -2.02 -0.04 0.00 0.00 0.00 0.00 51.96 50.07 1ivp s ALA 13 Cb -0.16 -0.62 0.09 0.00 0.00 0.00 0.00 23.12 22.43 1ivp s ALA 13 CO 0.14 -0.19 0.13 0.71 0.00 0.00 0.00 175.76 176.55 1ivp s TYR 14 N -2.55 0.23 -0.65 0.00 1.51 -0.67 -0.59 117.35 114.63 1ivp s TYR 14 Ca 0.44 -0.64 -0.14 0.00 -1.01 0.00 0.00 57.07 55.72 1ivp s TYR 14 Cb 0.01 -0.80 0.17 0.00 -0.11 0.00 0.00 41.96 41.23 1ivp s TYR 14 CO 0.25 -0.73 0.59 0.42 -1.11 0.00 0.00 175.55 174.96 1ivp s ILE 15 N 2.13 5.18 -1.10 2.71 1.01 -0.56 -2.92 121.20 127.64 1ivp s ILE 15 Ca 0.07 -1.99 -0.11 0.00 0.00 0.00 0.00 60.65 58.62 1ivp s ILE 15 Cb -0.16 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 37.99 1ivp s ILE 15 CO -0.27 -0.92 0.87 -0.62 0.00 0.00 0.00 174.94 173.99 1ivp n GLU 16 N 4.61 -2.20 0.00 2.79 4.71 -1.15 -3.31 120.64 126.09 1ivp n GLU 16 Ca -0.01 0.71 0.00 0.00 -0.01 0.00 0.00 57.16 57.85 1ivp n GLU 16 Cb 0.43 -5.21 0.00 0.00 -1.01 0.00 0.00 31.44 25.64 1ivp n GLU 16 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ivp n GLY 17 N -1.40 2.73 3.61 0.62 0.00 -1.26 -5.02 105.19 104.47 1ivp n GLY 17 Ca -0.10 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 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 3.55 0.37 1.61 -0.21 -1.21 -4.92 119.66 118.85 1ivp s GLN 18 Ca 0.00 1.29 -0.26 0.00 0.02 0.00 0.00 55.36 56.42 1ivp s GLN 18 Cb 0.00 -4.09 -0.09 0.00 1.00 0.00 0.00 33.01 29.84 1ivp s GLN 18 CO 0.00 -1.60 1.09 -1.25 -2.12 0.00 0.00 175.29 171.42 1ivp s PRO 19 N 5.12 4.23 -0.06 2.91 0.04 -1.26 -1.50 135.00 144.48 1ivp s PRO 19 Ca 0.70 1.67 -0.26 0.00 0.04 0.00 0.00 61.00 63.15 1ivp s PRO 19 Cb -0.19 -2.72 0.06 0.00 0.04 0.00 0.00 34.50 31.68 1ivp s PRO 19 CO 0.32 -0.12 0.58 0.14 0.04 0.00 0.00 177.00 177.97 1ivp s VAL 20 N -1.48 0.01 -0.41 -0.36 -7.23 0.24 -4.96 120.40 106.22 1ivp s VAL 20 Ca 0.55 -0.11 -0.26 0.00 -1.81 0.00 0.00 61.98 60.34 1ivp s VAL 20 Cb -0.27 -0.89 0.02 0.00 0.56 0.00 0.00 36.38 35.80 1ivp s VAL 20 CO 0.34 -0.06 0.95 -1.61 -0.31 0.00 0.00 175.10 174.41 1ivp s GLU 21 N -1.04 3.73 0.02 4.82 2.02 -1.25 -0.31 118.70 126.68 1ivp s GLU 21 Ca -0.10 0.45 0.07 0.00 0.02 0.00 0.00 54.97 55.40 1ivp s GLU 21 Cb -0.02 -3.85 -0.03 0.00 0.10 0.00 0.00 34.13 30.33 1ivp s GLU 21 CO 0.08 -1.09 -0.18 0.14 0.02 0.00 0.00 175.26 174.23 1ivp s VAL 22 N 3.68 2.76 -0.20 2.63 -7.23 0.36 -4.26 120.40 118.15 1ivp s VAL 22 Ca 0.39 -1.10 -0.17 0.00 -1.81 0.00 0.00 61.98 59.29 1ivp s VAL 22 Cb -0.11 -2.13 -0.04 0.00 0.56 0.00 0.00 36.38 34.66 1ivp s VAL 22 CO 0.23 0.40 0.44 -0.22 -0.31 0.00 0.00 175.10 175.64 1ivp s LEU 23 N -1.24 4.16 -0.48 1.32 2.96 -0.50 0.30 118.68 125.20 1ivp s LEU 23 Ca 0.14 0.58 -0.29 0.00 -0.22 0.00 0.00 54.13 54.34 1ivp s LEU 23 Cb -0.10 -2.58 0.02 0.00 0.50 0.00 0.00 46.19 44.03 1ivp s LEU 23 CO 0.04 -0.10 1.26 -0.76 -1.32 0.00 0.00 176.35 175.46 1ivp s LEU 24 N 1.37 3.58 -0.25 -0.68 1.43 -0.47 -1.47 118.68 122.18 1ivp s LEU 24 Ca 0.21 0.53 0.01 0.00 -1.03 0.00 0.00 54.13 53.85 1ivp s LEU 24 Cb -0.15 -3.46 0.07 0.00 0.03 0.00 0.00 46.19 42.68 1ivp s LEU 24 CO 0.09 -1.38 -0.02 -0.62 0.23 0.00 0.00 176.35 174.64 1ivp s ASP 25 N 3.19 3.96 0.00 2.29 2.15 0.44 -4.78 116.67 123.91 1ivp s ASP 25 Ca 0.52 -1.34 0.19 0.00 0.43 0.00 0.00 52.55 52.36 1ivp s ASP 25 Cb -0.10 -1.19 1.09 0.00 -0.30 0.00 0.00 42.92 42.43 1ivp s ASP 25 CO 0.31 -0.27 1.56 0.35 -0.17 0.00 0.00 175.17 176.94 1ivp n THR 26 N 4.65 0.14 0.72 1.71 -2.24 -1.26 -2.88 114.28 115.12 1ivp n THR 26 Ca -0.09 0.04 0.12 0.00 -2.27 0.00 0.00 64.05 61.85 1ivp n THR 26 Cb 0.44 -0.73 0.18 0.00 -2.10 0.00 0.00 70.33 68.11 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 0.24 1.27 3.39 3.38 0.00 -1.26 -4.87 105.19 107.34 1ivp n GLY 27 Ca 0.13 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.77 2.60 0.16 4.61 0.00 -1.14 -5.02 121.76 121.19 1ivp s ALA 28 Ca 0.33 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1ivp s ALA 28 Cb 0.21 -1.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 1ivp s ALA 28 CO 0.31 0.35 1.37 -0.44 0.00 0.00 0.00 175.76 177.34 1ivp h ASP 29 N 6.28 0.35 -2.14 0.00 3.32 -1.91 -0.61 116.42 121.71 1ivp h ASP 29 Ca -0.32 -0.27 -0.59 0.00 0.02 0.00 0.00 57.03 55.87 1ivp h ASP 29 Cb 1.19 -0.11 -0.13 0.00 0.22 0.00 0.00 39.33 40.51 1ivp h ASP 29 CO 0.53 1.06 -0.64 -1.81 -1.72 0.00 0.00 179.24 176.67 1ivp s ASP 30 N -6.97 3.48 -0.12 6.45 1.01 -1.26 -3.44 116.67 115.82 1ivp s ASP 30 Ca -0.04 -1.28 -0.01 0.00 0.71 0.00 0.00 52.55 51.93 1ivp s ASP 30 Cb 0.10 -0.31 -0.02 0.00 1.01 0.00 0.00 42.92 43.69 1ivp s ASP 30 CO 0.84 -0.37 -0.08 -0.44 0.21 0.00 0.00 175.17 175.33 1ivp s SER 31 N -3.61 4.48 -0.03 0.27 0.01 -1.26 -3.36 113.70 110.20 1ivp s SER 31 Ca 0.33 -0.16 0.02 0.00 1.31 0.00 0.00 55.95 57.46 1ivp s SER 31 Cb 0.06 -1.52 0.01 0.00 0.21 0.00 0.00 66.02 64.78 1ivp s SER 31 CO 0.16 0.23 -0.09 -0.63 0.41 0.00 0.00 173.24 173.32 1ivp s ILE 32 N -0.02 0.83 0.14 1.44 1.01 0.16 -1.45 121.20 123.31 1ivp s ILE 32 Ca -0.01 -0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.28 1ivp s ILE 32 Cb -0.14 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 1ivp s ILE 32 CO 0.03 0.26 0.01 0.68 0.00 0.00 0.00 174.94 175.93 1ivp s VAL 33 N 0.30 0.44 0.13 2.92 -7.23 -0.01 0.55 120.40 117.49 1ivp s VAL 33 Ca -0.05 -1.94 0.02 0.00 -1.81 0.00 0.00 61.98 58.20 1ivp s VAL 33 Cb -0.10 -2.00 -0.04 0.00 0.56 0.00 0.00 36.38 34.80 1ivp s VAL 33 CO 0.01 -0.56 -0.03 0.00 -0.31 0.00 0.00 175.10 174.21 1ivp s ALA 34 N -3.81 1.10 -1.00 1.32 0.00 -1.26 -1.35 121.76 116.75 1ivp s ALA 34 Ca 0.21 -1.44 -0.05 0.00 0.00 0.00 0.00 51.96 50.68 1ivp s ALA 34 Cb 0.07 0.34 -0.06 0.00 0.00 0.00 0.00 23.12 23.47 1ivp s ALA 34 CO 0.01 -0.28 0.87 0.41 0.00 0.00 0.00 175.76 176.77 1ivp n GLY 35 N -0.11 -0.96 3.43 0.00 0.00 -1.26 -5.01 105.19 101.27 1ivp n GLY 35 Ca -0.10 0.48 -0.06 0.00 0.00 0.00 0.00 46.02 46.34 1ivp n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ivp s ILE 36 N -3.36 -0.54 -0.98 -0.61 -1.09 -1.26 -5.10 121.20 108.26 1ivp s ILE 36 Ca 0.38 0.08 -0.13 0.00 -2.23 0.00 0.00 60.65 58.75 1ivp s ILE 36 Cb -0.05 -0.80 0.22 0.00 -1.58 0.00 0.00 42.46 40.24 1ivp s ILE 36 CO 0.69 0.03 1.01 -1.83 -1.23 0.00 0.00 174.94 173.62 1ivp s GLU 37 N 2.33 3.84 0.25 2.79 -1.05 -1.26 -4.95 118.70 120.66 1ivp s GLU 37 Ca -0.06 -2.58 0.03 0.00 -0.15 0.00 0.00 54.97 52.22 1ivp s GLU 37 Cb -0.10 -4.63 0.30 0.00 -0.44 0.00 0.00 34.13 29.26 1ivp s GLU 37 CO -0.16 -1.42 1.61 -0.07 0.95 0.00 0.00 175.26 176.17 1ivp h LEU 38 N 8.14 0.36 0.00 1.83 3.38 -1.99 -3.50 115.31 123.53 1ivp h LEU 38 Ca 0.16 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ivp h LEU 38 Cb 0.97 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1ivp h LEU 38 CO 0.95 0.79 0.00 0.61 0.09 0.00 0.00 178.44 180.88 1ivp n GLY 39 N 0.06 1.01 2.30 0.83 0.00 -1.26 -4.86 105.19 103.27 1ivp n GLY 39 Ca -0.02 -2.07 -0.32 0.00 0.00 0.00 0.00 46.02 43.61 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 6.65 -3.12 1.61 3.02 -1.26 -4.67 115.26 117.49 1ivp n ASN 40 Ca 0.00 -3.74 -0.33 0.00 -0.03 0.00 0.00 54.58 50.48 1ivp n ASN 40 Cb 0.00 -0.94 -0.01 0.00 -0.61 0.00 0.00 39.78 38.22 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 -0.98 5.74 -4.00 6.41 3.02 -1.26 -5.06 115.26 119.14 1ivp n ASN 41 Ca 0.62 -3.71 -0.17 0.00 -0.03 0.00 0.00 54.58 51.30 1ivp n ASN 41 Cb 0.93 -0.80 -0.09 0.00 -0.61 0.00 0.00 39.78 39.21 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 -3.83 1.51 -0.05 3.10 -0.85 -1.26 -4.66 117.35 111.31 1ivp s TYR 42 Ca 0.46 -1.39 0.03 0.00 -0.52 0.00 0.00 57.07 55.65 1ivp s TYR 42 Cb 0.28 -0.77 0.01 0.00 0.38 0.00 0.00 41.96 41.85 1ivp s TYR 42 CO -0.17 -0.57 -0.12 -1.12 -1.52 0.00 0.00 175.55 172.05 1ivp s SER 43 N -3.32 1.68 0.37 -0.18 0.01 -0.17 -4.93 113.70 107.17 1ivp s SER 43 Ca 0.37 -0.27 -0.13 0.00 1.31 0.00 0.00 55.95 57.23 1ivp s SER 43 Cb 0.05 -0.60 -0.08 0.00 0.21 0.00 0.00 66.02 65.61 1ivp s SER 43 CO 0.17 0.07 0.77 -2.16 0.41 0.00 0.00 173.24 172.51 1ivp s PRO 44 N 0.36 3.91 -0.05 12.44 0.04 -1.26 0.32 135.00 150.76 1ivp s PRO 44 Ca -0.08 0.62 -0.29 0.00 0.04 0.00 0.00 61.00 61.29 1ivp s PRO 44 Cb -0.12 -2.39 0.11 0.00 0.04 0.00 0.00 34.50 32.14 1ivp s PRO 44 CO 0.02 0.04 0.92 -1.59 0.04 0.00 0.00 177.00 176.44 1ivp s LYS 45 N -3.42 0.75 -0.64 4.56 -2.85 0.82 -4.83 119.74 114.14 1ivp s LYS 45 Ca 0.54 -0.18 -0.16 0.00 -1.00 0.00 0.00 55.97 55.17 1ivp s LYS 45 Cb -0.10 0.35 0.15 0.00 -2.06 0.00 0.00 37.83 36.17 1ivp s LYS 45 CO 0.24 -0.31 0.62 0.96 0.10 0.00 0.00 175.35 176.96 1ivp s ILE 46 N -2.59 5.25 0.01 3.79 -4.36 -1.26 0.17 121.20 122.21 1ivp s ILE 46 Ca 0.03 -1.70 -0.01 0.00 -0.26 0.00 0.00 60.65 58.71 1ivp s ILE 46 Cb -0.01 -4.41 -0.04 0.00 1.25 0.00 0.00 42.46 39.25 1ivp s ILE 46 CO -0.06 -0.97 0.17 0.54 0.24 0.00 0.00 174.94 174.86 1ivp s VAL 47 N 1.39 5.27 0.30 8.37 0.11 -1.09 -4.97 120.40 129.78 1ivp s VAL 47 Ca 0.09 -0.29 0.08 0.00 -2.93 0.00 0.00 61.98 58.93 1ivp s VAL 47 Cb -0.23 -3.49 -0.06 0.00 -1.53 0.00 0.00 36.38 31.07 1ivp s VAL 47 CO -0.00 0.27 -0.08 -0.83 -3.33 0.00 0.00 175.10 171.13 1ivp s GLY 48 N -2.08 1.93 0.00 6.54 0.00 -1.26 -2.68 107.32 109.78 1ivp s GLY 48 Ca 0.29 -1.95 0.00 0.00 0.00 0.00 0.00 44.72 43.05 1ivp s GLY 48 CO 0.20 -1.90 0.00 0.61 0.00 0.00 0.00 173.10 172.01 1ivp n GLY 49 N -0.64 1.74 3.71 0.20 0.00 -0.58 -4.99 105.19 104.64 1ivp n GLY 49 Ca -0.05 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 1ivp n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ivp s ILE 50 N -1.50 3.19 0.00 -0.61 -1.09 -1.26 -2.78 121.20 117.16 1ivp s ILE 50 Ca 0.00 0.81 0.00 0.00 -2.23 0.00 0.00 60.65 59.23 1ivp s ILE 50 Cb 0.00 -3.52 0.00 0.00 -1.58 0.00 0.00 42.46 37.36 1ivp s ILE 50 CO 0.00 0.05 0.00 0.61 -1.23 0.00 0.00 174.94 174.37 1ivp n GLY 51 N 3.62 0.53 0.00 6.18 0.00 -1.26 -4.95 105.19 109.32 1ivp n GLY 51 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1ivp n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ivp n GLY 52 N -2.00 0.23 3.96 -0.02 0.00 -1.12 -5.08 105.19 101.16 1ivp n GLY 52 Ca 0.00 -2.03 -0.22 0.00 0.00 0.00 0.00 46.02 43.77 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 0.00 3.46 0.09 1.61 0.08 -1.26 -1.52 117.98 120.43 1ivp s PHE 53 Ca 0.00 0.04 -0.10 0.00 0.12 0.00 0.00 56.93 56.99 1ivp s PHE 53 Cb 0.00 -1.62 0.01 0.00 -0.57 0.00 0.00 43.02 40.84 1ivp s PHE 53 CO 0.00 0.41 0.23 0.96 -0.10 0.00 0.00 175.22 176.72 1ivp s ILE 54 N -2.00 0.12 -0.00 0.64 -4.36 -1.09 -5.03 121.20 109.48 1ivp s ILE 54 Ca 0.35 -1.02 -0.02 0.00 -0.26 0.00 0.00 60.65 59.70 1ivp s ILE 54 Cb -0.09 -1.25 -0.04 0.00 1.25 0.00 0.00 42.46 42.33 1ivp s ILE 54 CO 0.30 -0.56 0.15 0.20 0.24 0.00 0.00 174.94 175.26 1ivp s ASN 55 N -2.75 6.13 0.12 4.36 0.01 -1.26 -2.66 114.94 118.90 1ivp s ASN 55 Ca 0.03 0.27 -0.07 0.00 -0.71 0.00 0.00 52.86 52.39 1ivp s ASN 55 Cb 0.04 -1.87 -0.01 0.00 0.41 0.00 0.00 41.25 39.81 1ivp s ASN 55 CO -0.10 0.26 0.19 0.42 -1.51 0.00 0.00 177.10 176.35 1ivp s THR 56 N -1.29 0.11 -0.23 1.60 -4.23 0.44 -4.53 115.64 107.51 1ivp s THR 56 Ca 0.26 -1.44 -0.09 0.00 -1.18 0.00 0.00 61.69 59.25 1ivp s THR 56 Cb -0.12 -1.67 -0.04 0.00 1.34 0.00 0.00 72.50 72.01 1ivp s THR 56 CO 0.18 -0.51 0.10 -0.76 -0.54 0.00 0.00 174.62 173.09 1ivp s LEU 57 N -2.94 3.81 -0.15 4.79 1.43 0.06 -0.13 118.68 125.55 1ivp s LEU 57 Ca 0.13 -0.01 -0.14 0.00 -1.03 0.00 0.00 54.13 53.09 1ivp s LEU 57 Cb 0.05 -2.01 -0.05 0.00 0.03 0.00 0.00 46.19 44.22 1ivp s LEU 57 CO -0.05 0.06 0.29 -0.70 0.23 0.00 0.00 176.35 176.19 1ivp s GLU 58 N 1.07 4.23 -0.28 1.70 2.12 0.95 -0.91 118.70 127.58 1ivp s GLU 58 Ca 0.05 0.10 0.01 0.00 0.36 0.00 0.00 54.97 55.49 1ivp s GLU 58 Cb -0.14 -3.42 0.08 0.00 0.26 0.00 0.00 34.13 30.92 1ivp s GLU 58 CO 0.04 0.26 0.03 0.71 -0.54 0.00 0.00 175.26 175.76 1ivp s TYR 59 N 0.40 2.37 0.46 5.30 2.02 -0.75 -1.00 117.35 126.15 1ivp s TYR 59 Ca 0.17 -1.96 -0.20 0.00 -0.37 0.00 0.00 57.07 54.70 1ivp s TYR 59 Cb -0.13 -1.89 -0.10 0.00 -0.40 0.00 0.00 41.96 39.45 1ivp s TYR 59 CO 0.04 -0.84 0.98 0.15 -1.57 0.00 0.00 175.55 174.32 1ivp s LYS 60 N 1.39 4.06 -1.75 -0.62 1.02 -1.26 -1.76 119.74 120.82 1ivp s LYS 60 Ca 0.04 1.19 0.00 0.00 0.02 0.00 0.00 55.97 57.21 1ivp s LYS 60 Cb -0.18 -2.15 0.00 0.00 -0.52 0.00 0.00 37.83 34.98 1ivp s LYS 60 CO -0.13 -0.18 0.00 -1.71 -0.92 0.00 0.00 175.35 172.40 1ivp n ASN 61 N -0.82 -5.02 -4.73 2.83 4.05 -1.25 -4.89 115.26 105.42 1ivp n ASN 61 Ca 0.08 0.38 -0.36 0.00 0.45 0.00 0.00 54.58 55.13 1ivp n ASN 61 Cb 0.54 -4.02 0.08 0.00 1.23 0.00 0.00 39.78 37.61 1ivp n ASN 61 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1ivp s VAL 62 N -2.65 2.19 -0.10 3.44 1.01 -1.04 -4.51 120.40 118.75 1ivp s VAL 62 Ca 0.00 0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.05 1ivp s VAL 62 Cb 0.00 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 1ivp s VAL 62 CO 0.00 -0.04 0.04 -1.83 0.00 0.00 0.00 175.10 173.27 1ivp s GLU 63 N -3.61 3.15 0.09 2.72 -1.05 -1.26 -0.38 118.70 118.36 1ivp s GLU 63 Ca 0.79 -0.33 0.04 0.00 -0.15 0.00 0.00 54.97 55.31 1ivp s GLU 63 Cb -0.33 -2.92 -0.04 0.00 -0.44 0.00 0.00 34.13 30.41 1ivp s GLU 63 CO 0.42 0.70 -0.10 0.42 0.95 0.00 0.00 175.26 177.65 1ivp s ILE 64 N -0.87 0.92 -0.08 1.83 1.01 -0.12 -2.95 121.20 120.95 1ivp s ILE 64 Ca 0.13 -1.62 -0.03 0.00 0.00 0.00 0.00 60.65 59.13 1ivp s ILE 64 Cb -0.12 -1.33 0.05 0.00 0.01 0.00 0.00 42.46 41.07 1ivp s ILE 64 CO 0.03 -0.55 0.15 -1.61 0.00 0.00 0.00 174.94 172.95 1ivp s GLU 65 N -2.76 0.02 -0.12 2.79 0.41 -1.15 -0.20 118.70 117.69 1ivp s GLU 65 Ca 0.05 0.54 -0.06 0.00 -0.41 0.00 0.00 54.97 55.09 1ivp s GLU 65 Cb -0.03 -0.32 0.05 0.00 -1.78 0.00 0.00 34.13 32.05 1ivp s GLU 65 CO -0.00 -0.32 0.28 0.14 -0.49 0.00 0.00 175.26 174.87 1ivp s VAL 66 N 2.28 -0.07 -1.46 2.63 -7.23 -1.00 -1.66 120.40 113.89 1ivp s VAL 66 Ca 0.03 0.15 -0.09 0.00 -1.81 0.00 0.00 61.98 60.26 1ivp s VAL 66 Cb -0.12 -0.42 0.04 0.00 0.56 0.00 0.00 36.38 36.43 1ivp s VAL 66 CO -0.05 0.06 0.88 0.18 -0.31 0.00 0.00 175.10 175.86 1ivp n LEU 67 N 4.32 -2.75 -2.93 1.32 4.77 -1.26 -2.37 117.00 118.11 1ivp n LEU 67 Ca -0.24 -0.51 -0.21 0.00 -0.03 0.00 0.00 56.01 55.03 1ivp n LEU 67 Cb 0.53 -2.79 0.05 0.00 -2.33 0.00 0.00 43.42 38.88 1ivp n LEU 67 CO 0.12 0.43 0.08 0.59 -1.33 0.00 0.00 177.39 177.28 1ivp n ASN 68 N -2.74 -5.77 -4.01 -1.43 4.13 -1.26 -5.03 115.26 99.15 1ivp n ASN 68 Ca -0.02 -0.34 -0.13 0.00 1.68 0.00 0.00 54.58 55.77 1ivp n ASN 68 Cb 0.57 -4.52 -0.12 0.00 -1.54 0.00 0.00 39.78 34.16 1ivp n ASN 68 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1ivp s LYS 69 N -5.81 0.41 -0.07 3.52 3.01 -1.00 -5.14 119.74 114.67 1ivp s LYS 69 Ca 0.37 -0.55 0.03 0.00 -1.01 0.00 0.00 55.97 54.81 1ivp s LYS 69 Cb -0.16 -0.20 -0.02 0.00 -1.01 0.00 0.00 37.83 36.44 1ivp s LYS 69 CO 0.46 0.03 -0.16 0.15 0.51 0.00 0.00 175.35 176.34 1ivp s LYS 70 N -1.15 2.71 0.22 1.68 3.01 -1.26 -2.39 119.74 122.57 1ivp s LYS 70 Ca -0.08 -0.72 -0.07 0.00 -1.01 0.00 0.00 55.97 54.08 1ivp s LYS 70 Cb -0.08 -2.40 -0.02 0.00 -1.01 0.00 0.00 37.83 34.32 1ivp s LYS 70 CO -0.00 0.49 0.30 0.14 0.51 0.00 0.00 175.35 176.79 1ivp s VAL 71 N -0.40 0.00 -0.09 3.17 -7.23 0.71 -4.98 120.40 111.59 1ivp s VAL 71 Ca 0.04 -1.71 0.02 0.00 -1.81 0.00 0.00 61.98 58.52 1ivp s VAL 71 Cb -0.12 -2.35 0.02 0.00 0.56 0.00 0.00 36.38 34.49 1ivp s VAL 71 CO 0.02 -0.01 -0.13 -0.13 -0.31 0.00 0.00 175.10 174.55 1ivp s ARG 72 N -4.09 1.86 0.19 4.82 1.81 -1.26 -0.94 118.95 121.33 1ivp s ARG 72 Ca 0.31 -0.44 -0.23 0.00 -1.72 0.00 0.00 55.73 53.65 1ivp s ARG 72 Cb 0.03 -1.61 0.05 0.00 -0.45 0.00 0.00 34.95 32.98 1ivp s ARG 72 CO 0.10 -0.05 0.75 0.00 -0.68 0.00 0.00 175.30 175.42 1ivp s ALA 73 N 0.95 -1.48 0.45 2.13 0.00 0.49 -4.88 121.76 119.44 1ivp s ALA 73 Ca -0.08 0.14 -0.24 0.00 0.00 0.00 0.00 51.96 51.78 1ivp s ALA 73 Cb -0.15 0.77 -0.07 0.00 0.00 0.00 0.00 23.12 23.67 1ivp s ALA 73 CO -0.00 -0.93 1.27 0.99 0.00 0.00 0.00 175.76 177.10 1ivp s THR 74 N -3.66 2.65 -0.10 0.00 2.01 -1.26 -2.50 115.64 112.78 1ivp s THR 74 Ca 0.08 0.53 -0.05 0.00 0.31 0.00 0.00 61.69 62.56 1ivp s THR 74 Cb -0.03 -3.29 0.04 0.00 0.01 0.00 0.00 72.50 69.23 1ivp s THR 74 CO -0.01 0.04 0.22 -0.63 -0.69 0.00 0.00 174.62 173.54 1ivp s ILE 75 N -1.36 -0.05 0.01 1.82 1.01 -0.72 -4.70 121.20 117.21 1ivp s ILE 75 Ca 0.62 0.16 -0.01 0.00 0.00 0.00 0.00 60.65 61.42 1ivp s ILE 75 Cb -0.36 -0.35 -0.04 0.00 0.01 0.00 0.00 42.46 41.73 1ivp s ILE 75 CO 0.44 0.07 0.15 -0.04 0.00 0.00 0.00 174.94 175.56 1ivp s MET 76 N 1.27 3.30 -0.05 2.79 -1.94 -0.53 -1.80 119.30 122.33 1ivp s MET 76 Ca -0.09 -0.42 0.05 0.00 -1.71 0.00 0.00 55.69 53.52 1ivp s MET 76 Cb -0.11 -2.99 -0.02 0.00 2.01 0.00 0.00 34.83 33.72 1ivp s MET 76 CO -0.08 0.65 -0.19 0.99 -0.01 0.00 0.00 175.02 176.37 1ivp s THR 77 N -1.33 2.59 0.00 2.05 2.01 -0.08 -0.83 115.64 120.04 1ivp s THR 77 Ca 0.28 -0.89 0.00 0.00 0.31 0.00 0.00 61.69 61.39 1ivp s THR 77 Cb -0.12 -1.98 0.00 0.00 0.01 0.00 0.00 72.50 70.41 1ivp s THR 77 CO 0.19 0.58 0.00 0.61 -0.69 0.00 0.00 174.62 175.31 1ivp n GLY 78 N 2.57 -0.76 3.00 4.40 0.00 -0.46 -0.76 105.19 113.18 1ivp n GLY 78 Ca -0.17 -1.15 -0.36 0.00 0.00 0.00 0.00 46.02 44.34 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 2.86 -4.72 1.61 2.03 -1.26 -4.18 116.55 112.89 1ivp n ASP 79 Ca 0.00 -2.54 -0.35 0.00 0.52 0.00 0.00 54.79 52.42 1ivp n ASP 79 Cb 0.00 -1.02 -0.09 0.00 -0.72 0.00 0.00 41.12 39.29 1ivp n ASP 79 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1ivp s THR 80 N 4.77 4.97 -0.65 5.18 -1.32 -1.26 -4.99 115.64 122.34 1ivp s THR 80 Ca 0.51 0.02 0.23 0.00 -1.21 0.00 0.00 61.69 61.24 1ivp s THR 80 Cb 0.13 -3.20 0.23 0.00 -1.51 0.00 0.00 72.50 68.15 1ivp s THR 80 CO 0.09 0.52 1.70 -0.81 -2.21 0.00 0.00 174.62 173.91 1ivp n PRO 81 N 2.92 0.16 -3.75 7.08 -0.04 -1.26 -4.63 135.00 135.48 1ivp n PRO 81 Ca -0.18 0.33 -0.12 0.00 -0.04 0.00 0.00 63.50 63.49 1ivp n PRO 81 Cb 0.53 -1.77 -0.12 0.00 -0.04 0.00 0.00 33.50 32.10 1ivp n PRO 81 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1ivp s ILE 82 N -3.20 -0.02 0.29 0.52 1.10 -1.26 -5.14 121.20 113.49 1ivp s ILE 82 Ca 0.07 0.07 -0.29 0.00 -0.51 0.00 0.00 60.65 59.98 1ivp s ILE 82 Cb 0.10 -0.39 -0.10 0.00 0.15 0.00 0.00 42.46 42.23 1ivp s ILE 82 CO 0.42 0.03 1.30 0.20 -2.11 0.00 0.00 174.94 174.78 1ivp s ASN 83 N 0.71 6.84 -0.06 4.50 0.01 -1.26 -4.90 114.94 120.78 1ivp s ASN 83 Ca -0.05 2.58 0.05 0.00 -0.71 0.00 0.00 52.86 54.73 1ivp s ASN 83 Cb -0.06 -2.63 -0.00 0.00 0.41 0.00 0.00 41.25 38.96 1ivp s ASN 83 CO -0.04 -0.51 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.20 1ivp s ILE 84 N -0.73 1.72 -0.37 0.60 1.01 0.19 -1.40 121.20 122.23 1ivp s ILE 84 Ca 0.51 -0.86 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 1ivp s ILE 84 Cb -0.38 -1.48 0.09 0.00 0.01 0.00 0.00 42.46 40.69 1ivp s ILE 84 CO 0.47 0.49 0.12 -0.36 0.00 0.00 0.00 174.94 175.66 1ivp s PHE 85 N 0.13 3.54 0.29 3.97 0.40 -0.54 -0.67 117.98 125.09 1ivp s PHE 85 Ca -0.09 -2.39 -0.02 0.00 -0.60 0.00 0.00 56.93 53.84 1ivp s PHE 85 Cb -0.14 -2.87 0.06 0.00 0.51 0.00 0.00 43.02 40.58 1ivp s PHE 85 CO 0.04 -0.92 0.40 0.41 0.70 0.00 0.00 175.22 175.85 1ivp n GLY 86 N 4.54 0.18 0.33 4.36 0.00 -1.21 -0.42 105.19 112.96 1ivp n GLY 86 Ca -0.04 -1.90 0.20 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.42 1.61 3.08 -1.23 -1.92 114.38 115.50 1ivp h ARG 87 Ca -0.13 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.78 1ivp h ARG 87 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1ivp h ARG 87 CO 0.13 0.00 -0.26 -2.95 -1.07 0.00 0.00 179.97 175.81 1ivp h ASN 88 N 0.00 0.96 1.08 7.04 -1.07 -1.83 -2.98 115.58 118.78 1ivp h ASN 88 Ca 0.01 -0.42 -0.19 0.00 0.07 0.00 0.00 56.30 55.77 1ivp h ASN 88 Cb 0.09 -0.27 -0.03 0.00 -2.07 0.00 0.00 38.32 36.05 1ivp h ASN 88 CO -0.00 1.18 -0.94 0.40 0.07 0.00 0.00 177.43 178.13 1ivp h ILE 89 N 0.75 1.36 -0.19 6.14 2.04 -1.71 -3.29 117.51 122.60 1ivp h ILE 89 Ca 0.09 -2.97 -0.02 0.00 1.00 0.00 0.00 64.86 62.95 1ivp h ILE 89 Cb 0.84 2.66 -0.01 0.00 -0.74 0.00 0.00 36.82 39.57 1ivp h ILE 89 CO 0.07 0.77 0.02 -0.07 0.00 0.00 0.00 178.15 178.95 1ivp h LEU 90 N 0.00 0.32 -1.69 1.44 3.38 -1.40 -2.60 115.31 114.75 1ivp h LEU 90 Ca -0.04 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1ivp h LEU 90 Cb 1.68 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1ivp h LEU 90 CO 0.10 0.51 0.00 0.71 0.09 0.00 0.00 178.44 179.85 1ivp h THR 91 N 0.11 0.00 0.00 0.22 1.35 -1.68 -2.21 112.91 110.70 1ivp h THR 91 Ca 0.06 -0.42 -0.01 0.00 -0.55 0.00 0.00 66.41 65.49 1ivp h THR 91 Cb 0.33 1.41 -0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1ivp h THR 91 CO 0.01 0.00 -0.03 0.00 -0.25 0.00 0.00 175.52 175.24 1ivp h ALA 92 N 2.01 0.99 -0.01 6.62 0.00 -1.53 -3.26 119.26 124.08 1ivp h ALA 92 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ivp h ALA 92 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ivp h ALA 92 CO 0.00 0.04 -0.42 1.28 0.00 0.00 0.00 179.25 180.15 1ivp n LEU 93 N -3.11 1.21 -1.46 0.00 4.77 -1.03 -4.97 117.00 112.40 1ivp n LEU 93 Ca 0.03 -0.67 -0.06 0.00 -0.03 0.00 0.00 56.01 55.28 1ivp n LEU 93 Cb 0.46 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.57 1ivp n LEU 93 CO 0.32 0.25 0.05 0.61 -1.33 0.00 0.00 177.39 177.29 1ivp n GLY 94 N 1.16 0.42 3.90 -0.72 0.00 -1.01 -5.07 105.19 103.88 1ivp n GLY 94 Ca 0.05 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 1ivp n GLY 94 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ivp s MET 95 N -4.96 3.63 0.16 1.61 0.00 -0.86 -5.04 119.30 113.84 1ivp s MET 95 Ca 0.10 -0.05 -0.09 0.00 0.00 0.00 0.00 55.69 55.65 1ivp s MET 95 Cb -0.04 -2.73 -0.01 0.00 0.00 0.00 0.00 34.83 32.05 1ivp s MET 95 CO 0.20 0.32 0.28 -1.54 0.00 0.00 0.00 175.02 174.28 1ivp s SER 96 N -2.89 0.05 -0.17 1.11 1.04 -1.26 -4.67 113.70 106.91 1ivp s SER 96 Ca 0.43 -0.87 -0.08 0.00 0.48 0.00 0.00 55.95 55.91 1ivp s SER 96 Cb -0.11 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 1ivp s SER 96 CO 0.27 -0.89 0.10 -0.22 0.98 0.00 0.00 173.24 173.49 1ivp s LEU 97 N -2.97 4.08 0.35 2.42 1.98 -1.26 -5.10 118.68 118.18 1ivp s LEU 97 Ca 0.17 0.23 0.04 0.00 -2.89 0.00 0.00 54.13 51.68 1ivp s LEU 97 Cb 0.03 -2.03 -0.05 0.00 0.66 0.00 0.00 46.19 44.80 1ivp s LEU 97 CO -0.00 0.24 0.07 0.20 -1.89 0.00 0.00 176.35 174.97 1ivp s ASN 98 N -0.02 2.50 0.00 3.68 -0.87 -1.26 -5.29 114.94 113.68 1ivp s ASN 98 Ca 0.08 -1.45 0.00 0.00 -1.57 0.00 0.00 52.86 49.93 1ivp s ASN 98 Cb -0.12 0.06 0.00 0.00 -0.02 0.00 0.00 41.25 41.17 1ivp s ASN 98 CO 0.00 -0.68 0.19 -0.11 -2.57 0.00 0.00 177.10 173.93