#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1chp s PRO 2 N 0.00 4.47 0.04 -2.82 0.04 -1.26 -4.93 135.00 130.55 1chp s PRO 2 Ca 0.00 1.95 0.23 0.00 0.04 0.00 0.00 61.00 63.21 1chp s PRO 2 Cb 0.00 -3.08 0.04 0.00 0.04 0.00 0.00 34.50 31.50 1chp s PRO 2 CO 0.00 0.01 1.03 1.04 0.04 0.00 0.00 177.00 179.12 1chp n GLN 3 N 0.92 0.25 -4.07 4.56 6.02 -1.26 -4.91 117.38 118.88 1chp n GLN 3 Ca -0.00 -0.01 -0.13 0.00 -0.01 0.00 0.00 57.00 56.85 1chp n GLN 3 Cb 0.44 -1.58 -0.04 0.00 1.02 0.00 0.00 30.24 30.08 1chp n GLN 3 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1chp s ASN 4 N -3.78 0.66 0.37 1.08 2.20 -1.26 -5.06 114.94 109.15 1chp s ASN 4 Ca 0.04 -1.37 0.10 0.00 -0.94 0.00 0.00 52.86 50.69 1chp s ASN 4 Cb 0.15 0.64 0.73 0.00 -2.00 0.00 0.00 41.25 40.77 1chp s ASN 4 CO 0.80 -1.26 1.87 -0.29 -2.94 0.00 0.00 177.10 175.29 1chp h ILE 5 N 2.16 1.21 -0.00 0.54 2.10 -1.95 -2.20 117.51 119.36 1chp h ILE 5 Ca -0.28 -0.96 -0.00 0.00 1.08 0.00 0.00 64.86 64.69 1chp h ILE 5 Cb 1.24 1.36 -0.00 0.00 -1.09 0.00 0.00 36.82 38.33 1chp h ILE 5 CO 0.39 0.29 -0.00 0.74 -1.08 0.00 0.00 178.15 178.49 1chp h THR 6 N 0.18 1.28 -0.51 2.19 2.02 -1.99 -0.63 112.91 115.44 1chp h THR 6 Ca 0.03 -0.82 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 1chp h THR 6 Cb 0.48 1.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 1chp h THR 6 CO 0.03 0.21 0.22 0.44 0.37 0.00 0.00 175.52 176.80 1chp h ASP 7 N -0.34 0.69 -0.65 4.18 3.32 -1.97 -1.99 116.42 119.66 1chp h ASP 7 Ca 0.00 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 56.84 1chp h ASP 7 Cb 0.35 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 1chp h ASP 7 CO 0.00 0.65 0.17 0.25 -1.72 0.00 0.00 179.24 178.60 1chp h LEU 8 N 0.69 0.99 -0.67 1.55 6.46 -1.39 -2.99 115.31 119.95 1chp h LEU 8 Ca 0.17 -0.20 -0.08 0.00 -0.12 0.00 0.00 57.88 57.66 1chp h LEU 8 Cb 0.16 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 39.81 1chp h LEU 8 CO -0.02 0.95 0.11 0.00 -0.62 0.00 0.00 178.44 178.87 1chp n ALA 10 N -2.46 1.22 1.60 0.00 0.00 -0.78 -2.06 120.51 118.03 1chp n ALA 10 Ca 0.04 0.11 0.15 0.00 0.00 0.00 0.00 53.44 53.74 1chp n ALA 10 Cb 0.29 -1.26 0.79 0.00 0.00 0.00 0.00 19.45 19.27 1chp n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1chp n GLU 11 N -2.02 0.69 -4.41 0.00 1.02 -1.01 -4.87 120.64 110.04 1chp n GLU 11 Ca 0.00 -0.07 -0.25 0.00 -0.02 0.00 0.00 57.16 56.82 1chp n GLU 11 Cb 0.08 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 29.91 1chp n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1chp s TYR 12 N -2.36 2.51 0.02 -0.32 2.02 -0.88 -5.14 117.35 113.20 1chp s TYR 12 Ca 0.35 -0.48 -0.00 0.00 -0.37 0.00 0.00 57.07 56.57 1chp s TYR 12 Cb 0.21 -1.50 -0.04 0.00 -0.40 0.00 0.00 41.96 40.23 1chp s TYR 12 CO 0.43 0.49 0.12 -1.01 -1.57 0.00 0.00 175.55 174.02 1chp s HIS 13 N -2.56 3.36 -1.11 2.71 3.76 -1.26 -4.47 115.29 115.72 1chp s HIS 13 Ca 0.34 0.23 -0.02 0.00 -0.15 0.00 0.00 55.06 55.46 1chp s HIS 13 Cb 0.01 -1.74 0.00 0.00 1.11 0.00 0.00 32.58 31.96 1chp s HIS 13 CO 0.19 0.58 0.28 0.09 -0.85 0.00 0.00 174.74 175.02 1chp n ASN 14 N 0.88 -4.57 -4.59 1.40 4.13 -1.26 -4.96 115.26 106.30 1chp n ASN 14 Ca -0.11 -0.14 -0.26 0.00 1.68 0.00 0.00 54.58 55.76 1chp n ASN 14 Cb 0.52 -3.53 -0.10 0.00 -1.54 0.00 0.00 39.78 35.14 1chp n ASN 14 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1chp s THR 15 N -2.89 2.28 -0.13 3.41 -4.23 -1.25 -0.47 115.64 112.36 1chp s THR 15 Ca 0.14 -2.07 -0.30 0.00 -1.18 0.00 0.00 61.69 58.27 1chp s THR 15 Cb -0.06 -2.78 0.11 0.00 1.34 0.00 0.00 72.50 71.10 1chp s THR 15 CO 0.17 -0.14 0.89 0.00 -0.54 0.00 0.00 174.62 175.00 1chp s GLN 16 N -3.67 0.75 -0.04 3.99 -2.07 -0.50 -4.81 119.66 113.30 1chp s GLN 16 Ca 0.34 0.20 -0.14 0.00 -1.82 0.00 0.00 55.36 53.94 1chp s GLN 16 Cb 0.04 0.35 -0.05 0.00 -1.09 0.00 0.00 33.01 32.26 1chp s GLN 16 CO 0.18 -0.23 0.37 0.42 -1.32 0.00 0.00 175.29 174.71 1chp s ILE 17 N -1.09 5.12 -0.12 3.63 -1.09 -1.26 -1.38 121.20 125.02 1chp s ILE 17 Ca -0.05 0.75 0.03 0.00 -2.23 0.00 0.00 60.65 59.15 1chp s ILE 17 Cb -0.00 -3.67 0.00 0.00 -1.58 0.00 0.00 42.46 37.21 1chp s ILE 17 CO 0.04 0.55 -0.23 -1.00 -1.23 0.00 0.00 174.94 173.07 1chp s HIS 18 N -0.82 2.61 -0.28 3.97 3.76 0.16 -4.96 115.29 119.72 1chp s HIS 18 Ca 0.22 -1.19 -0.09 0.00 -0.15 0.00 0.00 55.06 53.85 1chp s HIS 18 Cb -0.16 -1.76 -0.03 0.00 1.11 0.00 0.00 32.58 31.75 1chp s HIS 18 CO 0.11 -0.51 0.14 0.99 -0.85 0.00 0.00 174.74 174.62 1chp s THR 19 N 0.56 4.74 -0.12 1.30 2.01 -1.26 -0.96 115.64 121.91 1chp s THR 19 Ca -0.13 -0.16 0.03 0.00 0.31 0.00 0.00 61.69 61.73 1chp s THR 19 Cb -0.17 -3.31 -0.09 0.00 0.01 0.00 0.00 72.50 68.94 1chp s THR 19 CO 0.04 0.20 -0.08 0.18 -0.69 0.00 0.00 174.62 174.27 1chp n LEU 20 N 4.99 2.33 -4.19 4.42 4.77 0.43 -5.00 117.00 124.76 1chp n LEU 20 Ca -0.15 -0.05 -0.29 0.00 -0.03 0.00 0.00 56.01 55.49 1chp n LEU 20 Cb 0.51 -0.30 -0.07 0.00 -2.33 0.00 0.00 43.42 41.23 1chp n LEU 20 CO 0.33 0.62 -0.37 0.59 -1.33 0.00 0.00 177.39 177.22 1chp n ASN 21 N -2.77 0.37 -3.51 -1.43 3.02 -0.37 -4.92 115.26 105.65 1chp n ASN 21 Ca -0.21 -1.17 -0.11 0.00 -0.03 0.00 0.00 54.58 53.05 1chp n ASN 21 Cb 0.76 -2.16 -0.02 0.00 -0.61 0.00 0.00 39.78 37.75 1chp n ASN 21 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1chp s ASP 22 N -4.34 -0.49 0.50 6.41 2.15 -0.42 -4.89 116.67 115.59 1chp s ASP 22 Ca 0.03 -0.13 -0.16 0.00 0.43 0.00 0.00 52.55 52.71 1chp s ASP 22 Cb -0.02 0.61 -0.08 0.00 -0.30 0.00 0.00 42.92 43.13 1chp s ASP 22 CO 0.96 -1.02 0.97 -1.59 -0.17 0.00 0.00 175.17 174.32 1chp s LYS 23 N -3.78 3.95 0.27 4.34 -2.85 -1.26 -1.34 119.74 119.06 1chp s LYS 23 Ca 0.03 0.93 -0.30 0.00 -1.00 0.00 0.00 55.97 55.63 1chp s LYS 23 Cb -0.02 -2.15 -0.11 0.00 -2.06 0.00 0.00 37.83 33.49 1chp s LYS 23 CO -0.10 -0.24 1.52 0.42 0.10 0.00 0.00 175.35 177.05 1chp s ILE 24 N -2.58 2.38 -0.11 3.79 1.01 -1.26 -4.65 121.20 119.77 1chp s ILE 24 Ca 0.59 0.32 -0.18 0.00 0.00 0.00 0.00 60.65 61.37 1chp s ILE 24 Cb -0.10 -3.20 -0.27 0.00 0.01 0.00 0.00 42.46 38.90 1chp s ILE 24 CO 0.30 0.05 0.57 0.15 0.00 0.00 0.00 174.94 176.01 1chp h PHE 25 N 5.04 0.36 -3.98 3.97 3.57 -0.51 -3.48 116.94 121.92 1chp h PHE 25 Ca -0.46 -0.26 -0.22 0.00 3.53 0.00 0.00 57.97 60.56 1chp h PHE 25 Cb 1.22 -0.01 -0.19 0.00 2.79 0.00 0.00 35.95 39.75 1chp h PHE 25 CO 0.60 1.48 -0.71 -1.54 -2.23 0.00 0.00 178.31 175.90 1chp s SER 26 N -6.94 0.70 -0.06 0.41 1.04 -1.05 -4.97 113.70 102.83 1chp s SER 26 Ca -0.20 -0.68 0.02 0.00 0.48 0.00 0.00 55.95 55.56 1chp s SER 26 Cb 0.04 0.09 0.02 0.00 0.10 0.00 0.00 66.02 66.26 1chp s SER 26 CO 0.74 -0.33 -0.09 -0.47 0.98 0.00 0.00 173.24 174.07 1chp s TYR 27 N -2.15 1.21 -0.07 5.02 5.04 -1.26 -2.17 117.35 122.98 1chp s TYR 27 Ca -0.05 -0.44 0.04 0.00 -2.44 0.00 0.00 57.07 54.18 1chp s TYR 27 Cb -0.05 -0.94 0.00 0.00 0.35 0.00 0.00 41.96 41.32 1chp s TYR 27 CO -0.02 -0.27 -0.18 0.99 -1.34 0.00 0.00 175.55 174.73 1chp s THR 28 N 0.83 1.55 -0.03 4.34 2.01 0.19 -5.00 115.64 119.54 1chp s THR 28 Ca -0.12 -0.75 0.04 0.00 0.31 0.00 0.00 61.69 61.17 1chp s THR 28 Cb -0.15 -1.35 -0.00 0.00 0.01 0.00 0.00 72.50 71.01 1chp s THR 28 CO 0.02 0.44 -0.13 -0.70 -0.69 0.00 0.00 174.62 173.56 1chp s GLU 29 N 0.31 1.32 -0.04 4.92 2.12 -1.26 -1.00 118.70 125.06 1chp s GLU 29 Ca -0.11 -0.47 0.03 0.00 0.36 0.00 0.00 54.97 54.78 1chp s GLU 29 Cb -0.15 -1.20 0.00 0.00 0.26 0.00 0.00 34.13 33.05 1chp s GLU 29 CO 0.05 0.21 -0.13 0.45 -0.54 0.00 0.00 175.26 175.30 1chp s SER 30 N 0.00 1.70 0.00 -1.70 0.15 -0.60 -5.00 113.70 108.25 1chp s SER 30 Ca -0.01 -0.28 0.16 0.00 0.70 0.00 0.00 55.95 56.52 1chp s SER 30 Cb -0.09 -0.55 0.13 0.00 -1.71 0.00 0.00 66.02 63.80 1chp s SER 30 CO 0.01 0.09 1.01 0.00 1.20 0.00 0.00 173.24 175.55 1chp n LEU 31 N 3.38 2.34 -4.77 3.45 -0.00 -1.26 -2.80 117.00 117.34 1chp n LEU 31 Ca -0.19 -1.00 -0.41 0.00 -0.00 0.00 0.00 56.01 54.40 1chp n LEU 31 Cb 0.53 -0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.94 1chp n LEU 31 CO 0.25 0.42 1.07 0.00 -0.00 0.00 0.00 177.39 179.13 1chp s ALA 32 N -1.34 3.54 -0.13 1.47 0.00 -1.26 -4.73 121.76 119.31 1chp s ALA 32 Ca 0.19 1.43 -0.39 0.00 0.00 0.00 0.00 51.96 53.20 1chp s ALA 32 Cb 0.13 -3.55 -0.16 0.00 0.00 0.00 0.00 23.12 19.54 1chp s ALA 32 CO 0.20 -0.87 1.59 -3.47 0.00 0.00 0.00 175.76 173.21 1chp n ASP 33 N 0.66 2.13 0.00 0.00 2.03 -1.26 -0.35 116.55 119.75 1chp n ASP 33 Ca 0.01 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.41 1chp n ASP 33 Cb 0.40 -1.16 0.00 0.00 -0.72 0.00 0.00 41.12 39.64 1chp n ASP 33 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1chp n LYS 34 N 4.31 0.00 -1.58 -0.67 5.02 -1.26 -4.80 118.16 119.18 1chp n LYS 34 Ca 0.23 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.51 1chp n LYS 34 Cb 0.16 -2.87 0.08 0.00 -0.02 0.00 0.00 35.03 32.38 1chp n LYS 34 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1chp n ARG 35 N -2.00 1.43 -2.49 1.97 5.12 0.53 -4.97 116.66 116.25 1chp n ARG 35 Ca 0.00 -3.06 -0.40 0.00 -1.93 0.00 0.00 57.85 52.47 1chp n ARG 35 Cb 0.00 -1.19 -0.02 0.00 -1.16 0.00 0.00 32.46 30.09 1chp n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1chp s GLU 36 N -2.33 3.59 0.26 5.56 8.01 -1.07 -4.34 118.70 128.39 1chp s GLU 36 Ca 0.37 -1.42 -0.01 0.00 0.01 0.00 0.00 54.97 53.92 1chp s GLU 36 Cb 0.37 -5.40 -0.03 0.00 -4.31 0.00 0.00 34.13 24.77 1chp s GLU 36 CO -0.08 -2.46 0.26 0.00 0.01 0.00 0.00 175.26 173.00 1chp s MET 37 N 4.95 1.48 -0.00 1.61 0.23 -1.12 -4.41 119.30 122.03 1chp s MET 37 Ca 0.53 -1.69 0.06 0.00 -1.03 0.00 0.00 55.69 53.56 1chp s MET 37 Cb 0.01 0.34 -0.02 0.00 -1.53 0.00 0.00 34.83 33.63 1chp s MET 37 CO -0.00 -0.54 -0.18 0.00 -2.03 0.00 0.00 175.02 172.26 1chp s ALA 38 N -3.81 1.52 -0.08 3.16 0.00 -1.24 -1.55 121.76 119.76 1chp s ALA 38 Ca 0.36 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.51 1chp s ALA 38 Cb 0.04 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.81 1chp s ALA 38 CO 0.17 0.36 -0.11 0.42 0.00 0.00 0.00 175.76 176.59 1chp s ILE 39 N -0.50 1.14 0.22 0.00 1.01 -0.17 -1.42 121.20 121.48 1chp s ILE 39 Ca 0.07 -0.45 0.11 0.00 0.00 0.00 0.00 60.65 60.37 1chp s ILE 39 Cb -0.07 -1.06 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 1chp s ILE 39 CO -0.00 0.36 -0.16 0.27 0.00 0.00 0.00 174.94 175.41 1chp s ILE 40 N 0.90 2.76 0.04 2.92 -4.36 -0.14 -0.64 121.20 122.68 1chp s ILE 40 Ca -0.10 -2.02 0.01 0.00 -0.26 0.00 0.00 60.65 58.29 1chp s ILE 40 Cb -0.15 -2.39 -0.02 0.00 1.25 0.00 0.00 42.46 41.14 1chp s ILE 40 CO 0.01 -0.23 -0.06 -0.89 0.24 0.00 0.00 174.94 174.01 1chp s THR 41 N -1.99 0.39 0.40 8.37 2.01 -0.92 -1.30 115.64 122.58 1chp s THR 41 Ca 0.26 -1.06 0.08 0.00 0.31 0.00 0.00 61.69 61.28 1chp s THR 41 Cb -0.07 -0.53 -0.05 0.00 0.01 0.00 0.00 72.50 71.86 1chp s THR 41 CO 0.14 -0.45 0.17 -0.36 -0.69 0.00 0.00 174.62 173.43 1chp s PHE 42 N -1.52 2.62 0.49 4.92 0.40 -0.53 0.24 117.98 124.61 1chp s PHE 42 Ca -0.11 -0.54 0.19 0.00 -0.60 0.00 0.00 56.93 55.87 1chp s PHE 42 Cb -0.09 -1.89 1.23 0.00 0.51 0.00 0.00 43.02 42.78 1chp s PHE 42 CO -0.00 0.21 2.02 -0.22 0.70 0.00 0.00 175.22 177.92 1chp h LYS 43 N 1.45 0.15 0.00 0.44 3.64 -1.90 -1.15 116.57 119.21 1chp h LYS 43 Ca -0.43 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1chp h LYS 43 Cb 1.25 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1chp h LYS 43 CO 0.68 0.10 0.00 0.27 -2.27 0.00 0.00 179.45 178.23 1chp n ASN 44 N -4.44 0.00 0.00 4.20 2.04 -1.26 -4.89 115.26 110.91 1chp n ASN 44 Ca 0.08 -1.04 0.00 0.00 -0.44 0.00 0.00 54.58 53.17 1chp n ASN 44 Cb 0.43 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.68 1chp n ASN 44 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1chp n GLY 45 N 0.91 2.84 3.65 4.83 0.00 -0.43 -5.06 105.19 111.92 1chp n GLY 45 Ca 0.22 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.76 1chp n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1chp n ALA 46 N -1.90 0.67 -2.38 4.61 0.00 -1.26 -4.69 120.51 115.57 1chp n ALA 46 Ca 0.00 0.46 -0.31 0.00 0.00 0.00 0.00 53.44 53.59 1chp n ALA 46 Cb 0.00 -2.28 -0.15 0.00 0.00 0.00 0.00 19.45 17.02 1chp n ALA 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1chp s THR 47 N 0.91 2.26 0.04 0.00 2.01 -1.26 -1.45 115.64 118.14 1chp s THR 47 Ca 0.81 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 61.79 1chp s THR 47 Cb -0.76 -1.81 -0.03 0.00 0.01 0.00 0.00 72.50 69.92 1chp s THR 47 CO 0.41 0.58 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.52 1chp s PHE 48 N -0.59 0.46 0.19 4.92 0.08 -0.42 -4.10 117.98 118.51 1chp s PHE 48 Ca 0.09 -0.63 0.07 0.00 0.12 0.00 0.00 56.93 56.58 1chp s PHE 48 Cb -0.10 -0.30 -0.05 0.00 -0.57 0.00 0.00 43.02 42.00 1chp s PHE 48 CO -0.00 -0.19 -0.14 1.14 -0.10 0.00 0.00 175.22 175.93 1chp s GLN 49 N -2.04 1.28 -0.28 0.44 -2.07 -0.83 -0.97 119.66 115.19 1chp s GLN 49 Ca -0.09 -1.55 -0.06 0.00 -1.82 0.00 0.00 55.36 51.85 1chp s GLN 49 Cb -0.06 -1.06 0.01 0.00 -1.09 0.00 0.00 33.01 30.81 1chp s GLN 49 CO -0.02 0.17 0.05 0.08 -1.32 0.00 0.00 175.29 174.25 1chp s VAL 50 N -2.94 3.75 0.58 3.63 1.01 -0.51 -1.29 120.40 124.63 1chp s VAL 50 Ca 0.21 -0.74 -0.20 0.00 0.00 0.00 0.00 61.98 61.25 1chp s VAL 50 Cb -0.01 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 1chp s VAL 50 CO 0.06 0.11 1.13 -0.62 0.00 0.00 0.00 175.10 175.78 1chp n GLU 51 N 4.83 1.18 -2.14 2.72 1.02 -1.26 -3.64 120.64 123.35 1chp n GLU 51 Ca -0.15 0.45 -0.41 0.00 -0.02 0.00 0.00 57.16 57.03 1chp n GLU 51 Cb 0.48 -2.33 -0.02 0.00 -0.02 0.00 0.00 31.44 29.55 1chp n GLU 51 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1chp s VAL 52 N -1.41 2.81 1.40 2.62 1.01 -1.26 -4.94 120.40 120.63 1chp s VAL 52 Ca 0.75 0.78 -0.21 0.00 0.00 0.00 0.00 61.98 63.30 1chp s VAL 52 Cb -0.42 -3.50 0.36 0.00 0.00 0.00 0.00 36.38 32.82 1chp s VAL 52 CO 0.47 0.17 0.93 -2.84 0.00 0.00 0.00 175.10 173.84 1chp s PRO 53 N -1.42 -2.73 -0.07 2.72 0.02 -1.26 -5.07 135.00 127.20 1chp s PRO 53 Ca 0.51 0.29 -0.31 0.00 0.02 0.00 0.00 61.00 61.51 1chp s PRO 53 Cb -0.39 -1.39 0.12 0.00 0.02 0.00 0.00 34.50 32.86 1chp s PRO 53 CO 0.49 -4.78 1.37 0.20 -0.33 0.00 0.00 177.00 173.96 1chp s GLY 54 N -2.94 -0.36 0.08 0.52 0.00 -1.26 -5.01 107.32 98.35 1chp s GLY 54 Ca 0.68 0.57 0.21 0.00 0.00 0.00 0.00 44.72 46.18 1chp s GLY 54 CO 0.60 2.76 1.66 1.44 0.00 0.00 0.00 173.10 179.55 1chp n SER 55 N -0.72 0.25 -0.02 1.64 7.64 -1.26 -2.11 113.62 119.04 1chp n SER 55 Ca -0.03 0.55 0.01 0.00 1.01 0.00 0.00 58.87 60.41 1chp n SER 55 Cb 0.61 -0.61 0.34 0.00 -1.01 0.00 0.00 64.21 63.55 1chp n SER 55 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1chp h GLN 56 N 0.00 0.57 -6.06 1.43 4.15 -2.00 -3.38 115.11 109.83 1chp h GLN 56 Ca 0.00 -0.08 -0.61 0.00 0.77 0.00 0.00 58.65 58.73 1chp h GLN 56 Cb 0.39 -0.11 -0.11 0.00 0.21 0.00 0.00 27.48 27.86 1chp h GLN 56 CO 0.00 0.49 0.53 -1.01 -1.93 0.00 0.00 178.83 176.91 1chp s HIS 57 N -5.24 2.95 1.10 3.99 3.76 -0.90 -5.03 115.29 115.92 1chp s HIS 57 Ca -0.08 0.36 -0.12 0.00 -0.15 0.00 0.00 55.06 55.06 1chp s HIS 57 Cb 0.16 -3.87 0.25 0.00 1.11 0.00 0.00 32.58 30.23 1chp s HIS 57 CO 0.75 -1.05 1.05 0.96 -0.85 0.00 0.00 174.74 175.61 1chp s ILE 58 N 3.62 2.08 0.29 0.60 -4.36 -1.26 -4.59 121.20 117.57 1chp s ILE 58 Ca 0.35 0.02 0.03 0.00 -0.26 0.00 0.00 60.65 60.80 1chp s ILE 58 Cb -0.11 -2.19 0.29 0.00 1.25 0.00 0.00 42.46 41.70 1chp s ILE 58 CO 0.25 -0.03 1.82 0.44 0.24 0.00 0.00 174.94 177.66 1chp h ASP 59 N -2.37 0.88 0.05 4.36 3.32 -1.95 0.69 116.42 121.40 1chp h ASP 59 Ca -0.58 0.06 -0.07 0.00 0.02 0.00 0.00 57.03 56.47 1chp h ASP 59 Cb 1.32 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 1chp h ASP 59 CO 0.51 0.43 -0.19 0.77 -1.72 0.00 0.00 179.24 179.04 1chp h SER 60 N 0.92 0.26 -0.20 6.45 4.64 -2.01 -2.44 113.55 121.18 1chp h SER 60 Ca 0.52 -0.07 -0.14 0.00 -0.47 0.00 0.00 61.79 61.64 1chp h SER 60 Cb 0.62 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1chp h SER 60 CO -0.30 0.47 -0.37 1.56 -0.87 0.00 0.00 176.83 177.33 1chp h GLN 61 N 0.25 0.73 -0.02 4.77 4.20 -1.22 -2.73 115.11 121.08 1chp h GLN 61 Ca 0.04 -0.36 -0.07 0.00 0.06 0.00 0.00 58.65 58.32 1chp h GLN 61 Cb 0.49 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1chp h GLN 61 CO 0.03 0.98 -0.33 0.87 -0.67 0.00 0.00 178.83 179.71 1chp h LYS 62 N 0.60 0.04 -0.30 1.46 1.57 -0.83 -2.07 116.57 117.05 1chp h LYS 62 Ca 0.06 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.66 1chp h LYS 62 Cb 0.90 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 1chp h LYS 62 CO 0.08 0.37 -0.46 0.87 -0.57 0.00 0.00 179.45 179.73 1chp h LYS 63 N 0.03 0.84 -0.18 3.15 6.56 -1.24 -2.44 116.57 123.29 1chp h LYS 63 Ca 0.00 -0.50 -0.08 0.00 -1.06 0.00 0.00 60.65 59.01 1chp h LYS 63 Cb 0.60 0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 32.30 1chp h LYS 63 CO 0.04 1.14 -0.22 0.00 -2.06 0.00 0.00 179.45 178.35 1chp h ALA 64 N 0.69 1.29 -0.49 3.86 0.00 -1.31 -0.47 119.26 122.83 1chp h ALA 64 Ca 0.03 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 1chp h ALA 64 Cb 1.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1chp h ALA 64 CO 0.11 0.48 -0.06 0.82 0.00 0.00 0.00 179.25 180.59 1chp h ILE 65 N 0.29 1.27 -0.36 0.00 2.04 -1.20 -0.76 117.51 118.78 1chp h ILE 65 Ca 0.05 -1.18 -0.06 0.00 1.00 0.00 0.00 64.86 64.67 1chp h ILE 65 Cb 0.56 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1chp h ILE 65 CO 0.04 0.41 -0.03 -0.33 0.00 0.00 0.00 178.15 178.24 1chp h GLU 66 N 0.77 0.66 -0.67 2.37 4.39 -1.09 -2.49 114.58 118.52 1chp h GLU 66 Ca 0.13 -0.22 0.03 0.00 0.34 0.00 0.00 59.36 59.64 1chp h GLU 66 Cb 0.60 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.16 1chp h GLU 66 CO 0.04 0.78 0.41 -0.09 -1.16 0.00 0.00 179.01 178.99 1chp h ARG 67 N 0.47 0.78 -0.75 2.33 2.43 -0.89 -2.16 114.38 116.59 1chp h ARG 67 Ca 0.10 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1chp h ARG 67 Cb 0.50 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.84 1chp h ARG 67 CO 0.02 0.51 0.49 1.98 -1.51 0.00 0.00 179.97 181.46 1chp h MET 68 N 0.80 0.94 -0.61 0.20 4.05 -0.89 -0.85 114.93 118.58 1chp h MET 68 Ca 0.27 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.63 1chp h MET 68 Cb 0.04 -0.21 -0.03 0.00 -0.80 0.00 0.00 31.60 30.60 1chp h MET 68 CO -0.12 0.62 0.33 0.87 0.23 0.00 0.00 176.91 178.85 1chp h LYS 69 N 0.97 0.83 -0.27 0.39 1.57 -0.96 -0.82 116.57 118.28 1chp h LYS 69 Ca 0.29 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1chp h LYS 69 Cb -0.06 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 1chp h LYS 69 CO -0.08 0.61 0.03 -0.44 -0.57 0.00 0.00 179.45 179.00 1chp h ASP 70 N 0.84 0.43 -0.43 0.86 3.32 -0.85 -2.05 116.42 118.54 1chp h ASP 70 Ca 0.22 -0.27 0.01 0.00 0.02 0.00 0.00 57.03 57.01 1chp h ASP 70 Cb 0.02 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1chp h ASP 70 CO -0.04 0.59 0.27 0.74 -1.72 0.00 0.00 179.24 179.09 1chp h THR 71 N 0.26 1.08 -0.61 0.35 2.02 -0.47 -1.93 112.91 113.61 1chp h THR 71 Ca 0.08 -0.19 -0.09 0.00 0.77 0.00 0.00 66.41 66.98 1chp h THR 71 Cb 0.35 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 1chp h THR 71 CO 0.01 0.10 0.02 -0.07 0.37 0.00 0.00 175.52 175.95 1chp h LEU 72 N 0.55 1.04 0.23 2.58 3.38 -1.15 -0.87 115.31 121.07 1chp h LEU 72 Ca 0.17 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1chp h LEU 72 Cb -0.03 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.44 1chp h LEU 72 CO -0.06 1.08 -0.12 -0.09 0.09 0.00 0.00 178.44 179.35 1chp h ARG 73 N 0.97 -0.31 -0.03 1.13 2.43 -1.12 -0.49 114.38 116.96 1chp h ARG 73 Ca 0.18 0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.24 1chp h ARG 73 Cb 0.54 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 1chp h ARG 73 CO 0.03 -0.21 -0.55 -0.84 -1.51 0.00 0.00 179.97 176.89 1chp h ILE 74 N -0.33 1.39 -0.47 1.20 -0.00 -1.31 -1.48 117.51 116.51 1chp h ILE 74 Ca -0.03 -1.89 -0.01 0.00 -0.00 0.00 0.00 64.86 62.94 1chp h ILE 74 Cb 0.26 1.99 -0.02 0.00 -0.00 0.00 0.00 36.82 39.04 1chp h ILE 74 CO 0.04 0.54 0.26 0.00 -0.00 0.00 0.00 178.15 179.00 1chp h ALA 75 N 1.38 0.61 0.07 0.16 0.00 -1.08 -0.43 119.26 119.97 1chp h ALA 75 Ca -0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1chp h ALA 75 Cb 1.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1chp h ALA 75 CO 0.08 0.13 -0.03 -0.92 0.00 0.00 0.00 179.25 178.50 1chp h TYR 76 N 0.62 -0.09 -0.33 0.00 3.20 -0.87 0.18 116.97 119.69 1chp h TYR 76 Ca 0.17 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.04 1chp h TYR 76 Cb 0.05 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 1chp h TYR 76 CO -0.02 0.07 0.22 -0.07 -1.64 0.00 0.00 178.16 176.72 1chp h LEU 77 N -0.23 0.35 -0.77 2.82 4.07 -1.18 -2.06 115.31 118.32 1chp h LEU 77 Ca -0.01 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1chp h LEU 77 Cb 0.20 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.85 1chp h LEU 77 CO 0.02 0.25 -0.30 0.35 -1.08 0.00 0.00 178.44 177.68 1chp n THR 78 N -4.49 0.00 -3.62 0.22 -2.24 -0.18 -4.96 114.28 99.01 1chp n THR 78 Ca 0.02 -0.20 -0.23 0.00 -2.27 0.00 0.00 64.05 61.37 1chp n THR 78 Cb 0.09 0.74 0.07 0.00 -2.10 0.00 0.00 70.33 69.13 1chp n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1chp n GLU 79 N -0.28 -7.24 -2.56 -0.78 1.02 -0.05 -4.95 120.64 105.80 1chp n GLU 79 Ca 0.12 0.79 -0.39 0.00 -0.02 0.00 0.00 57.16 57.66 1chp n GLU 79 Cb 0.40 -5.79 -0.05 0.00 -0.02 0.00 0.00 31.44 25.98 1chp n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1chp s ALA 80 N -3.34 3.27 -0.21 0.62 0.00 -0.61 -4.84 121.76 116.65 1chp s ALA 80 Ca 0.46 0.76 -0.29 0.00 0.00 0.00 0.00 51.96 52.89 1chp s ALA 80 Cb -0.21 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 1chp s ALA 80 CO 0.75 -0.11 1.24 0.15 0.00 0.00 0.00 175.76 177.79 1chp s LYS 81 N -1.83 4.16 -0.08 0.00 3.01 -1.26 -4.26 119.74 119.49 1chp s LYS 81 Ca 0.49 1.51 -0.16 0.00 -1.01 0.00 0.00 55.97 56.80 1chp s LYS 81 Cb -0.27 -3.77 -0.05 0.00 -1.01 0.00 0.00 37.83 32.73 1chp s LYS 81 CO 0.34 -0.79 0.42 0.54 0.51 0.00 0.00 175.35 176.36 1chp s VAL 82 N 3.66 5.14 -0.02 3.17 0.11 -0.45 -3.51 120.40 128.50 1chp s VAL 82 Ca 0.53 0.84 -0.01 0.00 -2.93 0.00 0.00 61.98 60.41 1chp s VAL 82 Cb -0.19 -3.74 -0.00 0.00 -1.53 0.00 0.00 36.38 30.91 1chp s VAL 82 CO 0.15 0.44 -0.02 -0.08 -3.33 0.00 0.00 175.10 172.26 1chp h GLU 83 N 5.89 0.00 -5.46 1.54 4.81 -1.32 -0.60 114.58 119.43 1chp h GLU 83 Ca -0.45 0.00 -0.42 0.00 -0.13 0.00 0.00 59.36 58.35 1chp h GLU 83 Cb 1.19 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 30.40 1chp h GLU 83 CO 0.70 0.00 -0.75 0.15 -0.73 0.00 0.00 179.01 178.37 1chp s LYS 84 N -1.17 1.09 -0.04 1.92 1.02 -1.18 -0.43 119.74 120.95 1chp s LYS 84 Ca -0.02 -1.32 0.03 0.00 0.02 0.00 0.00 55.97 54.68 1chp s LYS 84 Cb 0.00 -0.95 0.00 0.00 -0.52 0.00 0.00 37.83 36.37 1chp s LYS 84 CO 0.03 0.18 -0.13 -0.51 -0.92 0.00 0.00 175.35 174.00 1chp s LEU 85 N -2.65 1.78 -0.24 3.17 1.43 -0.13 -1.44 118.68 120.60 1chp s LEU 85 Ca 0.12 -0.27 -0.08 0.00 -1.03 0.00 0.00 54.13 52.87 1chp s LEU 85 Cb -0.04 -0.76 -0.03 0.00 0.03 0.00 0.00 46.19 45.39 1chp s LEU 85 CO 0.04 0.09 0.09 0.00 0.23 0.00 0.00 176.35 176.79 1chp s VAL 87 N 1.43 1.45 -0.30 0.00 -7.23 -0.48 0.10 120.40 115.36 1chp s VAL 87 Ca 0.06 -2.07 -0.20 0.00 -1.81 0.00 0.00 61.98 57.95 1chp s VAL 87 Cb -0.15 -1.88 -0.01 0.00 0.56 0.00 0.00 36.38 34.90 1chp s VAL 87 CO 0.04 -0.63 0.64 0.26 -0.31 0.00 0.00 175.10 175.11 1chp s TRP 88 N -2.97 3.22 -2.22 2.82 0.51 0.76 -1.41 118.94 119.65 1chp s TRP 88 Ca 0.18 0.63 0.19 0.00 -2.12 0.00 0.00 56.10 54.97 1chp s TRP 88 Cb -0.00 -2.98 0.63 0.00 -0.81 0.00 0.00 33.47 30.31 1chp s TRP 88 CO 0.04 -0.46 1.48 0.27 -0.51 0.00 0.00 176.95 177.76 1chp n ASN 89 N 5.87 1.85 -0.60 2.95 6.94 0.38 -2.21 115.26 130.44 1chp n ASN 89 Ca -0.01 -1.79 0.12 0.00 -0.02 0.00 0.00 54.58 52.88 1chp n ASN 89 Cb 0.49 -0.15 0.41 0.00 -2.36 0.00 0.00 39.78 38.17 1chp n ASN 89 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1chp n ASN 90 N 0.45 1.83 -4.44 0.53 6.94 -1.26 -4.88 115.26 114.44 1chp n ASN 90 Ca 0.15 -1.66 -0.22 0.00 -0.02 0.00 0.00 54.58 52.84 1chp n ASN 90 Cb 0.34 -0.06 -0.10 0.00 -2.36 0.00 0.00 39.78 37.60 1chp n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1chp s LYS 91 N -1.89 1.57 -0.09 -3.83 3.01 -1.25 -5.11 119.74 112.15 1chp s LYS 91 Ca 0.35 -1.74 -0.03 0.00 -1.01 0.00 0.00 55.97 53.54 1chp s LYS 91 Cb 0.20 -1.45 0.04 0.00 -1.01 0.00 0.00 37.83 35.61 1chp s LYS 91 CO 0.30 0.20 0.06 0.99 0.51 0.00 0.00 175.35 177.42 1chp s THR 92 N -2.76 -0.01 0.85 2.17 2.01 -1.26 -3.17 115.64 113.46 1chp s THR 92 Ca 0.28 0.18 -0.11 0.00 0.31 0.00 0.00 61.69 62.35 1chp s THR 92 Cb -0.01 -0.36 0.10 0.00 0.01 0.00 0.00 72.50 72.24 1chp s THR 92 CO 0.12 0.05 1.10 -2.16 -0.69 0.00 0.00 174.62 173.03 1chp s PRO 93 N 2.12 1.65 0.21 4.92 0.04 -1.26 -5.07 135.00 137.61 1chp s PRO 93 Ca 0.04 1.12 -0.32 0.00 0.04 0.00 0.00 61.00 61.88 1chp s PRO 93 Cb -0.13 -1.83 -0.13 0.00 0.04 0.00 0.00 34.50 32.44 1chp s PRO 93 CO -0.05 -2.05 1.53 0.72 0.04 0.00 0.00 177.00 177.19 1chp n HIS 94 N -3.80 2.36 -3.07 0.56 8.25 -1.19 -4.56 115.22 113.77 1chp n HIS 94 Ca 0.09 0.30 -0.39 0.00 -0.26 0.00 0.00 57.72 57.46 1chp n HIS 94 Cb 0.53 -2.53 -0.05 0.00 1.12 0.00 0.00 29.99 29.06 1chp n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1chp s ALA 95 N 0.46 3.38 -0.02 -1.41 0.00 -0.94 -1.96 121.76 121.27 1chp s ALA 95 Ca 0.73 0.13 -0.30 0.00 0.00 0.00 0.00 51.96 52.52 1chp s ALA 95 Cb -0.63 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 1chp s ALA 95 CO 0.43 -0.01 1.21 0.42 0.00 0.00 0.00 175.76 177.81 1chp s ILE 96 N 0.43 4.17 -0.18 0.00 1.01 -0.41 -0.17 121.20 126.04 1chp s ILE 96 Ca 0.36 1.52 0.06 0.00 0.00 0.00 0.00 60.65 62.59 1chp s ILE 96 Cb -0.18 -3.98 -0.15 0.00 0.01 0.00 0.00 42.46 38.16 1chp s ILE 96 CO 0.19 0.03 -0.09 0.00 0.00 0.00 0.00 174.94 175.06 1chp n ALA 97 N 4.89 1.58 -3.12 9.38 0.00 0.11 -4.85 120.51 128.51 1chp n ALA 97 Ca 0.11 -0.92 -0.12 0.00 0.00 0.00 0.00 53.44 52.50 1chp n ALA 97 Cb 0.46 -0.01 -0.05 0.00 0.00 0.00 0.00 19.45 19.85 1chp n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1chp s ALA 98 N -2.39 -1.05 0.02 0.00 0.00 -1.04 -4.98 121.76 112.31 1chp s ALA 98 Ca -0.20 0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.98 1chp s ALA 98 Cb 0.06 0.52 -0.01 0.00 0.00 0.00 0.00 23.12 23.69 1chp s ALA 98 CO 0.53 -0.56 -0.05 -1.50 0.00 0.00 0.00 175.76 174.18 1chp s ILE 99 N -3.09 0.32 -0.01 0.00 2.07 -1.26 -0.98 121.20 118.25 1chp s ILE 99 Ca -0.02 -0.68 0.04 0.00 -1.41 0.00 0.00 60.65 58.59 1chp s ILE 99 Cb 0.00 -0.37 -0.01 0.00 0.13 0.00 0.00 42.46 42.21 1chp s ILE 99 CO -0.07 -0.24 -0.14 -0.94 -1.91 0.00 0.00 174.94 171.64 1chp s SER 100 N -0.98 1.59 -0.06 4.50 1.04 -0.52 -5.00 113.70 114.26 1chp s SER 100 Ca -0.07 -0.26 0.02 0.00 0.48 0.00 0.00 55.95 56.11 1chp s SER 100 Cb -0.07 -0.17 0.01 0.00 0.10 0.00 0.00 66.02 65.90 1chp s SER 100 CO -0.00 0.15 -0.11 -0.04 0.98 0.00 0.00 173.24 174.22 1chp s MET 101 N -0.39 1.60 -0.07 4.02 1.00 -1.26 -0.93 119.30 123.26 1chp s MET 101 Ca 0.05 -0.38 -0.03 0.00 0.00 0.00 0.00 55.69 55.34 1chp s MET 101 Cb -0.05 -1.34 0.04 0.00 0.00 0.00 0.00 34.83 33.48 1chp s MET 101 CO -0.00 0.01 0.14 0.00 0.00 0.00 0.00 175.02 175.16 1chp s ALA 102 N 0.70 -0.16 -2.00 3.03 0.00 -1.23 -4.90 121.76 117.20 1chp s ALA 102 Ca -0.14 0.57 0.17 0.00 0.00 0.00 0.00 51.96 52.56 1chp s ALA 102 Cb -0.16 -0.59 1.01 0.00 0.00 0.00 0.00 23.12 23.38 1chp s ALA 102 CO 0.03 -0.34 1.41 0.27 0.00 0.00 0.00 175.76 177.14