#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1chp n PRO 2 N 0.00 1.35 -0.00 -2.82 -0.04 -1.26 -4.92 135.00 127.32 1chp n PRO 2 Ca 0.00 0.50 0.10 0.00 -0.04 0.00 0.00 63.50 64.05 1chp n PRO 2 Cb 0.00 -2.21 -0.12 0.00 -0.04 0.00 0.00 33.50 31.13 1chp n PRO 2 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1chp n GLN 3 N -0.38 0.45 -3.93 0.54 1.13 -1.26 -4.98 117.38 108.95 1chp n GLN 3 Ca 0.10 -0.03 -0.09 0.00 -1.94 0.00 0.00 57.00 55.05 1chp n GLN 3 Cb 0.43 -1.45 -0.03 0.00 0.11 0.00 0.00 30.24 29.30 1chp n GLN 3 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1chp s ASN 4 N -3.09 -0.01 0.18 1.08 2.20 -1.26 -5.07 114.94 108.96 1chp s ASN 4 Ca 0.05 -0.93 -0.11 0.00 -0.94 0.00 0.00 52.86 50.93 1chp s ASN 4 Cb 0.15 0.69 0.09 0.00 -2.00 0.00 0.00 41.25 40.18 1chp s ASN 4 CO 0.82 -1.33 1.73 -0.29 -2.94 0.00 0.00 177.10 175.10 1chp h ILE 5 N 2.11 1.24 -0.44 0.54 2.10 -1.96 -2.05 117.51 119.05 1chp h ILE 5 Ca -0.25 -0.76 0.04 0.00 1.08 0.00 0.00 64.86 64.97 1chp h ILE 5 Cb 1.25 0.55 -0.04 0.00 -1.09 0.00 0.00 36.82 37.49 1chp h ILE 5 CO 0.33 0.30 0.22 0.74 -1.08 0.00 0.00 178.15 178.65 1chp h THR 6 N 0.89 0.96 -0.19 2.19 2.02 -1.98 0.34 112.91 117.13 1chp h THR 6 Ca 0.21 -0.15 -0.20 0.00 0.77 0.00 0.00 66.41 67.04 1chp h THR 6 Cb 0.22 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1chp h THR 6 CO -0.02 0.08 -0.67 0.44 0.37 0.00 0.00 175.52 175.73 1chp h ASP 7 N 0.43 0.85 -0.45 4.18 3.32 -1.98 -2.02 116.42 120.76 1chp h ASP 7 Ca 0.19 -0.51 -0.08 0.00 0.02 0.00 0.00 57.03 56.66 1chp h ASP 7 Cb 0.11 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1chp h ASP 7 CO -0.14 1.29 0.01 0.25 -1.72 0.00 0.00 179.24 178.93 1chp h LEU 8 N 0.53 0.82 -0.52 1.55 6.46 -1.07 -2.90 115.31 120.19 1chp h LEU 8 Ca -0.02 -0.20 -0.08 0.00 -0.12 0.00 0.00 57.88 57.46 1chp h LEU 8 Cb 1.27 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.96 1chp h LEU 8 CO 0.14 0.88 0.01 0.00 -0.62 0.00 0.00 178.44 178.85 1chp n ALA 10 N -2.44 1.08 1.58 0.00 0.00 -0.78 -2.05 120.51 117.90 1chp n ALA 10 Ca 0.01 0.06 0.15 0.00 0.00 0.00 0.00 53.44 53.66 1chp n ALA 10 Cb 0.32 -1.12 0.66 0.00 0.00 0.00 0.00 19.45 19.31 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 -1.75 1.04 -4.48 0.00 1.02 -1.05 -4.88 120.64 110.53 1chp n GLU 11 Ca -0.00 -0.39 -0.24 0.00 -0.02 0.00 0.00 57.16 56.52 1chp n GLU 11 Cb 0.03 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 29.85 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 -2.22 2.21 0.22 -0.32 2.02 -0.87 -5.14 117.35 113.25 1chp s TYR 12 Ca 0.36 -0.49 -0.08 0.00 -0.37 0.00 0.00 57.07 56.48 1chp s TYR 12 Cb 0.21 -1.15 -0.07 0.00 -0.40 0.00 0.00 41.96 40.55 1chp s TYR 12 CO 0.41 0.55 0.52 -1.01 -1.57 0.00 0.00 175.55 174.45 1chp s HIS 13 N -2.69 3.44 -1.60 2.71 3.76 -1.26 -4.25 115.29 115.39 1chp s HIS 13 Ca 0.30 0.80 0.00 0.00 -0.15 0.00 0.00 55.06 56.02 1chp s HIS 13 Cb 0.00 -2.21 0.00 0.00 1.11 0.00 0.00 32.58 31.48 1chp s HIS 13 CO 0.14 0.28 0.00 0.09 -0.85 0.00 0.00 174.74 174.40 1chp n ASN 14 N -0.18 -4.94 -4.86 1.40 5.03 -1.26 -4.92 115.26 105.52 1chp n ASN 14 Ca -0.00 0.18 -0.21 0.00 0.87 0.00 0.00 54.58 55.41 1chp n ASN 14 Cb 0.52 -4.23 0.07 0.00 -1.02 0.00 0.00 39.78 35.12 1chp n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1chp s THR 15 N -2.75 2.35 -0.26 3.41 -4.23 -1.26 -0.47 115.64 112.43 1chp s THR 15 Ca 0.00 -0.75 -0.26 0.00 -1.18 0.00 0.00 61.69 59.51 1chp s THR 15 Cb 0.00 -2.60 0.12 0.00 1.34 0.00 0.00 72.50 71.36 1chp s THR 15 CO 0.00 0.00 1.00 -1.58 -0.54 0.00 0.00 174.62 173.50 1chp s GLN 16 N -4.86 0.55 -0.13 3.99 0.74 0.66 -4.72 119.66 115.88 1chp s GLN 16 Ca 0.62 0.56 -0.11 0.00 0.05 0.00 0.00 55.36 56.48 1chp s GLN 16 Cb -0.07 0.27 -0.05 0.00 1.10 0.00 0.00 33.01 34.26 1chp s GLN 16 CO 0.41 -0.08 0.23 0.42 -0.55 0.00 0.00 175.29 175.71 1chp s ILE 17 N 0.04 5.35 -0.10 -2.34 -1.09 -1.26 -0.21 121.20 121.59 1chp s ILE 17 Ca 0.02 0.41 0.04 0.00 -2.23 0.00 0.00 60.65 58.89 1chp s ILE 17 Cb -0.04 -3.54 0.00 0.00 -1.58 0.00 0.00 42.46 37.30 1chp s ILE 17 CO -0.04 0.50 -0.23 -1.00 -1.23 0.00 0.00 174.94 172.94 1chp s HIS 18 N -0.23 2.47 -0.37 3.97 3.76 0.57 -4.95 115.29 120.51 1chp s HIS 18 Ca 0.15 -1.03 -0.11 0.00 -0.15 0.00 0.00 55.06 53.93 1chp s HIS 18 Cb -0.13 -1.66 0.02 0.00 1.11 0.00 0.00 32.58 31.92 1chp s HIS 18 CO 0.04 -0.42 0.20 0.99 -0.85 0.00 0.00 174.74 174.69 1chp s THR 19 N 0.41 4.53 -0.27 1.30 2.01 -1.26 -0.01 115.64 122.35 1chp s THR 19 Ca -0.18 -0.83 -0.10 0.00 0.31 0.00 0.00 61.69 60.89 1chp s THR 19 Cb -0.18 -3.51 -0.13 0.00 0.01 0.00 0.00 72.50 68.69 1chp s THR 19 CO 0.08 -0.20 -0.33 0.18 -0.69 0.00 0.00 174.62 173.66 1chp n LEU 20 N 4.99 2.17 -4.07 4.42 7.99 0.35 -5.00 117.00 127.85 1chp n LEU 20 Ca -0.12 0.23 -0.28 0.00 -0.01 0.00 0.00 56.01 55.83 1chp n LEU 20 Cb 0.46 -0.83 -0.04 0.00 -0.11 0.00 0.00 43.42 42.90 1chp n LEU 20 CO 0.36 0.65 -0.25 0.59 -1.51 0.00 0.00 177.39 177.23 1chp n ASN 21 N -4.02 -0.49 -3.69 -1.43 5.03 0.08 -4.93 115.26 105.82 1chp n ASN 21 Ca -0.52 -1.06 -0.10 0.00 0.87 0.00 0.00 54.58 53.76 1chp n ASN 21 Cb 0.91 -2.71 -0.05 0.00 -1.02 0.00 0.00 39.78 36.90 1chp n ASN 21 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1chp s ASP 22 N -4.21 -0.16 0.57 6.41 2.15 -0.91 -4.89 116.67 115.63 1chp s ASP 22 Ca 0.12 -0.34 -0.14 0.00 0.43 0.00 0.00 52.55 52.62 1chp s ASP 22 Cb -0.06 0.44 -0.06 0.00 -0.30 0.00 0.00 42.92 42.94 1chp s ASP 22 CO 0.92 -0.80 1.01 -1.59 -0.17 0.00 0.00 175.17 174.54 1chp s LYS 23 N -3.60 3.72 0.15 4.34 -2.85 -1.26 -1.12 119.74 119.13 1chp s LYS 23 Ca 0.02 0.87 -0.30 0.00 -1.00 0.00 0.00 55.97 55.55 1chp s LYS 23 Cb 0.02 -2.10 -0.08 0.00 -2.06 0.00 0.00 37.83 33.61 1chp s LYS 23 CO -0.10 -0.46 1.28 0.42 0.10 0.00 0.00 175.35 176.58 1chp s ILE 24 N -2.90 3.46 -0.01 3.79 1.01 -1.26 -4.63 121.20 120.67 1chp s ILE 24 Ca 0.57 1.14 -0.07 0.00 0.00 0.00 0.00 60.65 62.30 1chp s ILE 24 Cb -0.11 -3.73 -0.29 0.00 0.01 0.00 0.00 42.46 38.34 1chp s ILE 24 CO 0.43 0.14 0.83 0.15 0.00 0.00 0.00 174.94 176.49 1chp h PHE 25 N 5.91 0.59 -3.98 3.97 3.57 -0.73 -3.48 116.94 122.79 1chp h PHE 25 Ca -0.44 -0.43 -0.21 0.00 3.53 0.00 0.00 57.97 60.42 1chp h PHE 25 Cb 1.21 -0.02 -0.20 0.00 2.79 0.00 0.00 35.95 39.73 1chp h PHE 25 CO 0.64 1.48 -0.71 0.45 -2.23 0.00 0.00 178.31 177.94 1chp s SER 26 N -7.14 0.53 -0.08 0.41 0.15 -1.12 -4.98 113.70 101.47 1chp s SER 26 Ca -0.11 -0.57 -0.00 0.00 0.70 0.00 0.00 55.95 55.97 1chp s SER 26 Cb 0.06 0.08 0.02 0.00 -1.71 0.00 0.00 66.02 64.48 1chp s SER 26 CO 0.86 -0.29 -0.05 -0.47 1.20 0.00 0.00 173.24 174.50 1chp s TYR 27 N -1.68 1.08 -0.10 3.44 5.04 -1.26 -2.52 117.35 121.35 1chp s TYR 27 Ca -0.11 -0.44 0.03 0.00 -2.44 0.00 0.00 57.07 54.11 1chp s TYR 27 Cb -0.08 -0.98 0.01 0.00 0.35 0.00 0.00 41.96 41.25 1chp s TYR 27 CO -0.01 -0.39 -0.21 0.99 -1.34 0.00 0.00 175.55 174.59 1chp s THR 28 N 1.63 1.87 -0.04 4.34 2.01 0.23 -4.98 115.64 120.70 1chp s THR 28 Ca 0.01 -0.90 0.04 0.00 0.31 0.00 0.00 61.69 61.16 1chp s THR 28 Cb -0.13 -1.64 -0.00 0.00 0.01 0.00 0.00 72.50 70.74 1chp s THR 28 CO -0.05 0.52 -0.16 -0.70 -0.69 0.00 0.00 174.62 173.53 1chp s GLU 29 N 0.53 1.65 0.03 4.92 2.12 -1.26 -0.07 118.70 126.62 1chp s GLU 29 Ca -0.15 -0.56 0.08 0.00 0.36 0.00 0.00 54.97 54.69 1chp s GLU 29 Cb -0.17 -1.45 -0.02 0.00 0.26 0.00 0.00 34.13 32.74 1chp s GLU 29 CO 0.05 0.23 -0.22 0.45 -0.54 0.00 0.00 175.26 175.23 1chp s SER 30 N 0.05 2.63 0.00 -1.70 0.15 0.54 -4.99 113.70 110.38 1chp s SER 30 Ca -0.03 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.11 1chp s SER 30 Cb -0.11 -0.24 0.00 0.00 -1.71 0.00 0.00 66.02 63.96 1chp s SER 30 CO 0.02 0.21 0.84 0.00 1.20 0.00 0.00 173.24 175.51 1chp n LEU 31 N 1.99 1.68 -4.76 3.45 -0.00 -1.26 -2.21 117.00 115.89 1chp n LEU 31 Ca -0.17 -1.68 -0.39 0.00 -0.00 0.00 0.00 56.01 53.78 1chp n LEU 31 Cb 0.53 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.96 1chp n LEU 31 CO 0.23 0.42 0.95 0.00 -0.00 0.00 0.00 177.39 179.00 1chp s ALA 32 N -0.69 3.08 -0.09 1.47 0.00 -1.26 -4.75 121.76 119.52 1chp s ALA 32 Ca 0.00 1.23 -0.40 0.00 0.00 0.00 0.00 51.96 52.79 1chp s ALA 32 Cb 0.00 -3.50 -0.18 0.00 0.00 0.00 0.00 23.12 19.43 1chp s ALA 32 CO 0.00 -0.99 1.32 -0.25 0.00 0.00 0.00 175.76 175.84 1chp n ASP 33 N -0.35 0.97 -1.09 0.00 9.92 -1.26 -0.94 116.55 123.79 1chp n ASP 33 Ca 0.06 1.14 -0.14 0.00 -0.53 0.00 0.00 54.79 55.33 1chp n ASP 33 Cb 0.45 -1.02 -0.06 0.00 -0.64 0.00 0.00 41.12 39.85 1chp n ASP 33 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1chp n LYS 34 N 2.67 -1.61 -2.09 -1.24 4.76 -1.26 -4.76 118.16 114.63 1chp n LYS 34 Ca 0.22 0.96 0.02 0.00 -2.87 0.00 0.00 58.31 56.64 1chp n LYS 34 Cb 0.10 -5.34 0.03 0.00 -1.84 0.00 0.00 35.03 27.98 1chp n LYS 34 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1chp n ARG 35 N -1.31 0.79 -2.33 1.97 0.63 -0.12 -4.99 116.66 111.30 1chp n ARG 35 Ca -0.14 -2.58 -0.38 0.00 -0.92 0.00 0.00 57.85 53.83 1chp n ARG 35 Cb 0.60 -0.65 -0.03 0.00 0.45 0.00 0.00 32.46 32.82 1chp n ARG 35 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1chp s GLU 36 N -1.62 3.01 0.36 -0.14 8.01 -1.17 -4.30 118.70 122.84 1chp s GLU 36 Ca 0.29 -0.15 -0.15 0.00 0.01 0.00 0.00 54.97 54.97 1chp s GLU 36 Cb 0.35 -4.58 0.04 0.00 -4.31 0.00 0.00 34.13 25.63 1chp s GLU 36 CO -0.11 -2.51 0.72 0.00 0.01 0.00 0.00 175.26 173.38 1chp s MET 37 N 6.17 2.10 0.04 1.61 0.23 -0.94 -4.46 119.30 124.05 1chp s MET 37 Ca 0.51 -1.40 0.06 0.00 -1.03 0.00 0.00 55.69 53.83 1chp s MET 37 Cb -0.08 0.59 -0.02 0.00 -1.53 0.00 0.00 34.83 33.79 1chp s MET 37 CO 0.10 -0.96 -0.16 0.00 -2.03 0.00 0.00 175.02 171.96 1chp s ALA 38 N -2.73 1.37 -0.02 3.16 0.00 -1.26 -0.34 121.76 121.94 1chp s ALA 38 Ca 0.17 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.26 1chp s ALA 38 Cb -0.04 -0.24 -0.00 0.00 0.00 0.00 0.00 23.12 22.84 1chp s ALA 38 CO 0.12 0.28 -0.11 0.42 0.00 0.00 0.00 175.76 176.47 1chp s ILE 39 N -0.83 0.90 0.11 0.00 1.01 0.90 -2.19 121.20 121.10 1chp s ILE 39 Ca 0.04 -0.44 0.07 0.00 0.00 0.00 0.00 60.65 60.31 1chp s ILE 39 Cb -0.08 -0.78 -0.03 0.00 0.01 0.00 0.00 42.46 41.57 1chp s ILE 39 CO 0.01 0.27 -0.17 0.27 0.00 0.00 0.00 174.94 175.33 1chp s ILE 40 N 0.04 1.45 0.10 2.92 -4.36 -0.46 -0.60 121.20 120.29 1chp s ILE 40 Ca -0.01 -1.57 0.03 0.00 -0.26 0.00 0.00 60.65 58.84 1chp s ILE 40 Cb -0.08 -1.45 -0.04 0.00 1.25 0.00 0.00 42.46 42.15 1chp s ILE 40 CO 0.00 -0.23 -0.08 0.42 0.24 0.00 0.00 174.94 175.29 1chp s THR 41 N -1.57 0.80 0.38 8.37 -4.23 -1.05 -0.62 115.64 117.74 1chp s THR 41 Ca 0.06 -1.78 0.08 0.00 -1.18 0.00 0.00 61.69 58.87 1chp s THR 41 Cb -0.08 -1.49 -0.05 0.00 1.34 0.00 0.00 72.50 72.22 1chp s THR 41 CO 0.04 -0.72 0.17 -0.36 -0.54 0.00 0.00 174.62 173.20 1chp s PHE 42 N -3.01 2.64 0.46 3.99 0.40 -0.11 -0.01 117.98 122.34 1chp s PHE 42 Ca 0.08 -0.50 0.13 0.00 -0.60 0.00 0.00 56.93 56.04 1chp s PHE 42 Cb 0.01 -1.83 1.06 0.00 0.51 0.00 0.00 43.02 42.77 1chp s PHE 42 CO -0.02 0.24 2.07 -0.22 0.70 0.00 0.00 175.22 177.98 1chp h LYS 43 N 1.47 0.15 0.00 0.44 3.64 -1.89 -1.86 116.57 118.52 1chp h LYS 43 Ca -0.43 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 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 0.67 0.17 0.00 0.27 -2.27 0.00 0.00 179.45 178.28 1chp n ASN 44 N -4.45 0.08 0.00 4.20 6.94 -1.26 -4.85 115.26 115.92 1chp n ASN 44 Ca -0.01 0.52 0.00 0.00 -0.02 0.00 0.00 54.58 55.07 1chp n ASN 44 Cb 0.14 -0.54 0.00 0.00 -2.36 0.00 0.00 39.78 37.02 1chp n ASN 44 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1chp n GLY 45 N -0.33 2.76 3.65 4.83 0.00 -0.70 -5.07 105.19 110.32 1chp n GLY 45 Ca 0.03 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.94 0.65 -3.05 4.61 0.00 -1.26 -4.69 120.51 115.83 1chp n ALA 46 Ca 0.00 0.45 -0.29 0.00 0.00 0.00 0.00 53.44 53.60 1chp n ALA 46 Cb 0.00 -2.24 -0.16 0.00 0.00 0.00 0.00 19.45 17.04 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 0.40 1.68 0.14 0.00 2.01 -1.26 -0.94 115.64 117.68 1chp s THR 47 Ca 0.76 -0.83 0.03 0.00 0.31 0.00 0.00 61.69 61.96 1chp s THR 47 Cb -0.74 -1.46 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 1chp s THR 47 CO 0.45 0.48 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.42 1chp s PHE 48 N 0.18 1.18 0.14 4.92 0.08 0.21 -4.07 117.98 120.62 1chp s PHE 48 Ca -0.10 -0.84 0.03 0.00 0.12 0.00 0.00 56.93 56.14 1chp s PHE 48 Cb -0.14 -0.63 -0.04 0.00 -0.57 0.00 0.00 43.02 41.63 1chp s PHE 48 CO 0.05 -0.02 -0.05 1.14 -0.10 0.00 0.00 175.22 176.23 1chp s GLN 49 N -3.80 1.00 -0.26 0.44 -2.07 -0.48 -1.36 119.66 113.14 1chp s GLN 49 Ca 0.17 -1.44 -0.04 0.00 -1.82 0.00 0.00 55.36 52.23 1chp s GLN 49 Cb 0.04 -0.35 0.01 0.00 -1.09 0.00 0.00 33.01 31.61 1chp s GLN 49 CO 0.00 -0.03 0.00 0.08 -1.32 0.00 0.00 175.29 174.02 1chp s VAL 50 N -3.54 3.49 0.64 3.63 1.01 -0.93 -0.51 120.40 124.18 1chp s VAL 50 Ca 0.17 -0.69 -0.18 0.00 0.00 0.00 0.00 61.98 61.28 1chp s VAL 50 Cb 0.05 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 1chp s VAL 50 CO -0.00 0.24 1.02 -1.84 0.00 0.00 0.00 175.10 174.52 1chp n GLU 51 N 4.79 0.84 -2.23 2.72 0.28 -1.26 -4.02 120.64 121.75 1chp n GLU 51 Ca -0.16 0.34 -0.41 0.00 -0.16 0.00 0.00 57.16 56.76 1chp n GLU 51 Cb 0.49 -2.25 -0.03 0.00 1.43 0.00 0.00 31.44 31.08 1chp n GLU 51 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1chp s VAL 52 N -1.55 3.15 0.18 3.84 1.01 -1.26 -4.94 120.40 120.83 1chp s VAL 52 Ca 0.77 1.01 -0.31 0.00 0.00 0.00 0.00 61.98 63.46 1chp s VAL 52 Cb -0.39 -3.65 -0.09 0.00 0.00 0.00 0.00 36.38 32.25 1chp s VAL 52 CO 0.46 0.18 1.38 -2.16 0.00 0.00 0.00 175.10 174.97 1chp s PRO 53 N -0.67 4.33 0.05 2.72 0.04 -1.26 -4.97 135.00 135.23 1chp s PRO 53 Ca 0.53 2.14 0.01 0.00 0.04 0.00 0.00 61.00 63.71 1chp s PRO 53 Cb -0.36 -3.19 -0.00 0.00 0.04 0.00 0.00 34.50 30.98 1chp s PRO 53 CO 0.42 -0.38 0.05 0.41 0.04 0.00 0.00 177.00 177.54 1chp n GLY 54 N 2.82 3.60 0.36 0.56 0.00 -1.26 -5.06 105.19 106.20 1chp n GLY 54 Ca 0.09 -1.60 0.01 0.00 0.00 0.00 0.00 46.02 44.52 1chp n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1chp n SER 55 N -2.58 -0.52 -0.35 1.61 3.41 -1.26 -1.70 113.62 112.23 1chp n SER 55 Ca 0.01 1.64 0.05 0.00 -0.26 0.00 0.00 58.87 60.31 1chp n SER 55 Cb 0.08 -0.42 0.21 0.00 -0.26 0.00 0.00 64.21 63.82 1chp n SER 55 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 1chp h GLN 56 N 0.00 0.96 -6.44 4.33 3.07 -1.99 -3.43 115.11 111.61 1chp h GLN 56 Ca 0.37 -0.06 -0.54 0.00 0.09 0.00 0.00 58.65 58.52 1chp h GLN 56 Cb 0.61 -0.22 0.02 0.00 0.08 0.00 0.00 27.48 27.96 1chp h GLN 56 CO -0.95 0.64 0.91 -1.01 0.09 0.00 0.00 178.83 178.51 1chp s HIS 57 N -6.00 2.67 0.81 0.06 3.76 -0.69 -5.03 115.29 110.88 1chp s HIS 57 Ca -0.12 0.56 -0.05 0.00 -0.15 0.00 0.00 55.06 55.30 1chp s HIS 57 Cb 0.21 -3.84 0.17 0.00 1.11 0.00 0.00 32.58 30.23 1chp s HIS 57 CO 0.80 -3.25 1.11 0.96 -0.85 0.00 0.00 174.74 173.52 1chp s ILE 58 N 2.34 2.02 0.19 0.60 -4.36 -1.26 -4.83 121.20 115.90 1chp s ILE 58 Ca 0.70 -0.45 -0.12 0.00 -0.26 0.00 0.00 60.65 60.51 1chp s ILE 58 Cb -0.37 -2.57 0.12 0.00 1.25 0.00 0.00 42.46 40.89 1chp s ILE 58 CO 0.30 0.00 1.86 0.44 0.24 0.00 0.00 174.94 177.78 1chp h ASP 59 N -0.91 0.76 0.23 4.36 3.32 -1.99 -0.29 116.42 121.91 1chp h ASP 59 Ca -0.37 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 56.60 1chp h ASP 59 Cb 1.25 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 1chp h ASP 59 CO 0.36 0.56 -0.23 0.77 -1.72 0.00 0.00 179.24 178.99 1chp h SER 60 N 0.90 0.00 0.88 6.45 4.64 -2.00 -1.86 113.55 122.55 1chp h SER 60 Ca 0.24 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.35 1chp h SER 60 Cb -0.09 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 1chp h SER 60 CO -0.05 0.23 -0.99 1.56 -0.87 0.00 0.00 176.83 176.70 1chp h GLN 61 N 0.00 0.06 -0.51 4.77 4.20 -1.78 -2.37 115.11 119.48 1chp h GLN 61 Ca -0.00 -0.09 -0.12 0.00 0.06 0.00 0.00 58.65 58.50 1chp h GLN 61 Cb 0.40 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1chp h GLN 61 CO 0.03 1.00 -0.16 0.87 -0.67 0.00 0.00 178.83 179.90 1chp h LYS 62 N 0.02 0.99 0.00 1.46 1.57 -0.58 -2.13 116.57 117.90 1chp h LYS 62 Ca -0.03 -0.39 -0.15 0.00 -1.87 0.00 0.00 60.65 58.21 1chp h LYS 62 Cb 1.72 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.96 1chp h LYS 62 CO 0.14 1.07 -0.70 1.57 -0.57 0.00 0.00 179.45 180.96 1chp h LYS 63 N 0.87 0.00 -0.57 3.15 2.10 -1.36 -2.45 116.57 118.31 1chp h LYS 63 Ca 0.13 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.72 1chp h LYS 63 Cb 0.72 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.03 1chp h LYS 63 CO 0.06 0.70 0.12 0.00 -2.00 0.00 0.00 179.45 178.32 1chp h ALA 64 N 1.30 1.14 -0.59 0.07 0.00 -1.31 0.11 119.26 119.98 1chp h ALA 64 Ca -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1chp h ALA 64 Cb 1.43 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1chp h ALA 64 CO 0.09 0.58 0.25 0.82 0.00 0.00 0.00 179.25 180.99 1chp h ILE 65 N 0.85 1.22 -0.42 0.00 2.04 -1.29 0.11 117.51 120.02 1chp h ILE 65 Ca 0.18 -0.67 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 1chp h ILE 65 Cb 0.34 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1chp h ILE 65 CO 0.00 0.27 0.06 -0.33 0.00 0.00 0.00 178.15 178.15 1chp h GLU 66 N 0.82 0.71 -0.70 2.37 4.39 -0.88 -2.40 114.58 118.88 1chp h GLU 66 Ca 0.20 -0.20 0.01 0.00 0.34 0.00 0.00 59.36 59.71 1chp h GLU 66 Cb 0.18 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.71 1chp h GLU 66 CO -0.02 0.75 0.47 -0.09 -1.16 0.00 0.00 179.01 178.96 1chp h ARG 67 N 0.56 0.92 -0.80 2.33 2.43 -0.49 -2.20 114.38 117.13 1chp h ARG 67 Ca 0.13 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1chp h ARG 67 Cb 0.39 -0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 29.69 1chp h ARG 67 CO 0.01 0.61 0.51 1.98 -1.51 0.00 0.00 179.97 181.57 1chp h MET 68 N 0.95 0.95 -0.44 0.20 4.05 -0.51 0.30 114.93 120.41 1chp h MET 68 Ca 0.26 -0.06 -0.07 0.00 -0.28 0.00 0.00 59.70 59.55 1chp h MET 68 Cb -0.11 -0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 30.46 1chp h MET 68 CO -0.06 0.63 -0.02 0.87 0.23 0.00 0.00 176.91 178.56 1chp h LYS 69 N 0.97 0.74 -0.61 0.39 1.57 -1.01 -1.05 116.57 117.56 1chp h LYS 69 Ca 0.33 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1chp h LYS 69 Cb 0.04 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 1chp h LYS 69 CO -0.12 0.76 0.22 -0.44 -0.57 0.00 0.00 179.45 179.30 1chp h ASP 70 N 0.69 0.86 -0.47 0.86 3.32 -0.74 -1.80 116.42 119.13 1chp h ASP 70 Ca 0.13 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 1chp h ASP 70 Cb 0.45 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1chp h ASP 70 CO 0.02 0.82 0.18 0.74 -1.72 0.00 0.00 179.24 179.28 1chp h THR 71 N 0.86 1.21 -0.35 0.35 2.02 -0.39 -1.94 112.91 114.67 1chp h THR 71 Ca 0.20 -0.67 -0.14 0.00 0.77 0.00 0.00 66.41 66.58 1chp h THR 71 Cb 0.24 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1chp h THR 71 CO -0.01 0.25 -0.34 -0.07 0.37 0.00 0.00 175.52 175.72 1chp h LEU 72 N 0.62 0.83 0.10 2.58 3.38 -1.09 -0.28 115.31 121.46 1chp h LEU 72 Ca 0.16 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1chp h LEU 72 Cb 0.21 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1chp h LEU 72 CO -0.01 1.09 -0.05 -0.09 0.09 0.00 0.00 178.44 179.47 1chp h ARG 73 N 0.66 -0.13 -0.13 1.13 2.43 -1.17 0.83 114.38 117.99 1chp h ARG 73 Ca 0.07 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 1chp h ARG 73 Cb 0.88 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 1chp h ARG 73 CO 0.08 0.00 -0.22 0.97 -1.51 0.00 0.00 179.97 179.29 1chp h ILE 74 N -0.24 1.22 -0.32 1.20 6.09 -1.29 -1.67 117.51 122.50 1chp h ILE 74 Ca -0.01 -1.01 -0.11 0.00 -1.37 0.00 0.00 64.86 62.36 1chp h ILE 74 Cb 0.19 1.37 -0.01 0.00 0.47 0.00 0.00 36.82 38.85 1chp h ILE 74 CO 0.02 0.31 -0.21 0.00 -3.07 0.00 0.00 178.15 175.20 1chp h ALA 75 N 1.57 0.46 -0.12 0.18 0.00 -0.77 -1.47 119.26 119.11 1chp h ALA 75 Ca 0.03 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1chp h ALA 75 Cb 0.51 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1chp h ALA 75 CO 0.03 0.42 0.06 -0.92 0.00 0.00 0.00 179.25 178.85 1chp h TYR 76 N 0.48 0.16 -0.32 0.00 3.20 -0.52 -1.22 116.97 118.76 1chp h TYR 76 Ca 0.07 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.84 1chp h TYR 76 Cb 0.76 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.96 1chp h TYR 76 CO 0.06 0.19 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.52 1chp h LEU 77 N 0.09 0.57 -0.85 2.82 3.38 -1.30 -2.70 115.31 117.33 1chp h LEU 77 Ca 0.04 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1chp h LEU 77 Cb 0.08 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1chp h LEU 77 CO -0.01 0.77 0.00 0.35 0.09 0.00 0.00 178.44 179.64 1chp n THR 78 N -4.15 0.06 -3.41 0.22 -2.24 -0.56 -4.93 114.28 99.27 1chp n THR 78 Ca 0.00 -0.24 -0.25 0.00 -2.27 0.00 0.00 64.05 61.30 1chp n THR 78 Cb 0.37 0.31 0.04 0.00 -2.10 0.00 0.00 70.33 68.95 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 0.04 -5.45 -2.27 -0.78 1.02 -0.55 -4.93 120.64 107.72 1chp n GLU 79 Ca 0.18 0.74 -0.41 0.00 -0.02 0.00 0.00 57.16 57.66 1chp n GLU 79 Cb 0.30 -5.63 -0.03 0.00 -0.02 0.00 0.00 31.44 26.06 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 -3.19 3.47 -0.30 0.62 0.00 -0.65 -4.86 121.76 116.85 1chp s ALA 80 Ca 0.47 1.10 -0.29 0.00 0.00 0.00 0.00 51.96 53.24 1chp s ALA 80 Cb -0.22 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.48 1chp s ALA 80 CO 0.57 -0.44 1.24 0.21 0.00 0.00 0.00 175.76 177.34 1chp s LYS 81 N -1.46 3.96 -0.18 0.00 2.20 -1.26 -4.35 119.74 118.64 1chp s LYS 81 Ca 0.48 1.21 -0.19 0.00 -0.36 0.00 0.00 55.97 57.10 1chp s LYS 81 Cb -0.36 -3.84 -0.03 0.00 -1.51 0.00 0.00 37.83 32.09 1chp s LYS 81 CO 0.47 -1.05 0.55 0.14 -0.36 0.00 0.00 175.35 175.09 1chp s VAL 82 N 4.15 5.09 -0.01 4.02 -7.23 -0.27 -3.71 120.40 122.45 1chp s VAL 82 Ca 0.53 1.03 -0.01 0.00 -1.81 0.00 0.00 61.98 61.73 1chp s VAL 82 Cb -0.16 -3.87 -0.01 0.00 0.56 0.00 0.00 36.38 32.91 1chp s VAL 82 CO 0.21 0.18 0.24 -0.08 -0.31 0.00 0.00 175.10 175.34 1chp h GLU 83 N 7.34 -0.04 -5.10 4.82 4.81 -1.46 0.39 114.58 125.35 1chp h GLU 83 Ca -0.34 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.54 1chp h GLU 83 Cb 1.16 0.01 -0.14 0.00 0.63 0.00 0.00 28.75 30.40 1chp h GLU 83 CO 0.75 -0.02 -0.70 0.15 -0.73 0.00 0.00 179.01 178.46 1chp s LYS 84 N -1.58 1.17 -0.03 1.92 1.02 -1.21 -0.49 119.74 120.53 1chp s LYS 84 Ca -0.01 -1.53 0.01 0.00 0.02 0.00 0.00 55.97 54.46 1chp s LYS 84 Cb 0.00 -0.64 0.02 0.00 -0.52 0.00 0.00 37.83 36.69 1chp s LYS 84 CO 0.02 0.02 -0.02 -0.51 -0.92 0.00 0.00 175.35 173.94 1chp s LEU 85 N -3.22 1.29 -0.27 3.17 1.43 0.99 -1.72 118.68 120.35 1chp s LEU 85 Ca 0.21 -0.07 -0.16 0.00 -1.03 0.00 0.00 54.13 53.08 1chp s LEU 85 Cb 0.03 -0.31 -0.03 0.00 0.03 0.00 0.00 46.19 45.90 1chp s LEU 85 CO 0.04 -0.07 0.40 0.00 0.23 0.00 0.00 176.35 176.95 1chp s VAL 87 N 2.12 1.47 -0.42 0.00 -7.23 0.70 -0.30 120.40 116.74 1chp s VAL 87 Ca 0.16 -1.90 -0.23 0.00 -1.81 0.00 0.00 61.98 58.20 1chp s VAL 87 Cb -0.16 -1.73 0.02 0.00 0.56 0.00 0.00 36.38 35.07 1chp s VAL 87 CO 0.10 -0.48 0.76 0.26 -0.31 0.00 0.00 175.10 175.42 1chp s TRP 88 N -2.47 3.04 -1.81 2.82 0.51 0.19 -0.24 118.94 120.97 1chp s TRP 88 Ca 0.14 0.25 0.31 0.00 -2.12 0.00 0.00 56.10 54.67 1chp s TRP 88 Cb -0.03 -3.54 1.65 0.00 -0.81 0.00 0.00 33.47 30.74 1chp s TRP 88 CO 0.04 -0.89 2.10 0.27 -0.51 0.00 0.00 176.95 177.96 1chp n ASN 89 N 6.56 0.15 -1.15 2.95 0.23 0.38 -2.67 115.26 121.71 1chp n ASN 89 Ca 0.02 -0.71 0.03 0.00 -0.53 0.00 0.00 54.58 53.39 1chp n ASN 89 Cb 0.48 -0.10 0.20 0.00 -2.08 0.00 0.00 39.78 38.28 1chp n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1chp n ASN 90 N -1.01 3.24 -4.20 0.53 6.94 -1.26 -4.84 115.26 114.66 1chp n ASN 90 Ca 0.19 -2.43 -0.13 0.00 -0.02 0.00 0.00 54.58 52.20 1chp n ASN 90 Cb 0.19 -0.57 -0.10 0.00 -2.36 0.00 0.00 39.78 36.93 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 -1.84 0.92 -0.10 -3.83 1.02 -1.24 -5.09 119.74 109.58 1chp s LYS 91 Ca 0.26 -1.33 -0.03 0.00 0.02 0.00 0.00 55.97 54.89 1chp s LYS 91 Cb 0.20 -0.44 0.04 0.00 -0.52 0.00 0.00 37.83 37.11 1chp s LYS 91 CO 0.08 0.04 0.07 0.99 -0.92 0.00 0.00 175.35 175.61 1chp s THR 92 N -3.20 -0.05 1.00 2.17 2.01 -1.26 -3.13 115.64 113.19 1chp s THR 92 Ca 0.12 0.14 -0.11 0.00 0.31 0.00 0.00 61.69 62.14 1chp s THR 92 Cb 0.02 -0.37 0.19 0.00 0.01 0.00 0.00 72.50 72.35 1chp s THR 92 CO -0.02 -0.01 1.09 -2.84 -0.69 0.00 0.00 174.62 172.15 1chp s PRO 93 N 2.13 0.36 0.29 4.92 0.02 -1.26 -5.06 135.00 136.40 1chp s PRO 93 Ca 0.04 1.07 -0.30 0.00 0.02 0.00 0.00 61.00 61.83 1chp s PRO 93 Cb -0.14 -1.69 -0.11 0.00 0.02 0.00 0.00 34.50 32.58 1chp s PRO 93 CO -0.06 -2.93 1.60 -1.01 -0.33 0.00 0.00 177.00 174.27 1chp s HIS 94 N -2.66 2.77 0.19 6.54 3.76 -1.18 -4.60 115.29 120.10 1chp s HIS 94 Ca 0.66 0.76 -0.20 0.00 -0.15 0.00 0.00 55.06 56.13 1chp s HIS 94 Cb -0.22 -4.07 -0.08 0.00 1.11 0.00 0.00 32.58 29.32 1chp s HIS 94 CO 0.60 -3.63 0.70 0.00 -0.85 0.00 0.00 174.74 171.57 1chp s ALA 95 N 0.08 3.45 -0.02 -1.40 0.00 -1.09 -1.38 121.76 121.40 1chp s ALA 95 Ca 0.64 0.16 -0.27 0.00 0.00 0.00 0.00 51.96 52.49 1chp s ALA 95 Cb -0.48 -2.80 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 1chp s ALA 95 CO 0.47 0.34 0.87 0.42 0.00 0.00 0.00 175.76 177.86 1chp s ILE 96 N -1.41 4.91 -0.20 0.00 1.01 0.33 -0.64 121.20 125.20 1chp s ILE 96 Ca 0.40 1.82 0.02 0.00 0.00 0.00 0.00 60.65 62.88 1chp s ILE 96 Cb -0.18 -4.21 -0.13 0.00 0.01 0.00 0.00 42.46 37.95 1chp s ILE 96 CO 0.21 0.21 -0.17 0.00 0.00 0.00 0.00 174.94 175.19 1chp n ALA 97 N 3.75 1.57 -3.12 9.38 0.00 0.59 -4.81 120.51 127.87 1chp n ALA 97 Ca 0.03 -0.85 -0.10 0.00 0.00 0.00 0.00 53.44 52.52 1chp n ALA 97 Cb 0.51 0.04 -0.05 0.00 0.00 0.00 0.00 19.45 19.95 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 -2.40 -0.75 -0.03 0.00 0.00 -1.01 -4.99 121.76 112.58 1chp s ALA 98 Ca -0.26 -0.31 -0.04 0.00 0.00 0.00 0.00 51.96 51.34 1chp s ALA 98 Cb 0.07 0.81 0.01 0.00 0.00 0.00 0.00 23.12 24.01 1chp s ALA 98 CO 0.46 -0.74 0.11 -1.50 0.00 0.00 0.00 175.76 174.10 1chp s ILE 99 N -3.88 0.02 0.02 0.00 2.07 -1.26 -1.58 121.20 116.60 1chp s ILE 99 Ca 0.09 -0.19 0.06 0.00 -1.41 0.00 0.00 60.65 59.20 1chp s ILE 99 Cb 0.01 -0.23 -0.02 0.00 0.13 0.00 0.00 42.46 42.35 1chp s ILE 99 CO -0.04 -0.11 -0.18 -0.94 -1.91 0.00 0.00 174.94 171.76 1chp s SER 100 N -0.32 2.13 -0.01 4.50 1.04 -0.70 -5.01 113.70 115.33 1chp s SER 100 Ca -0.04 -0.44 0.05 0.00 0.48 0.00 0.00 55.95 56.01 1chp s SER 100 Cb -0.03 -0.19 -0.01 0.00 0.10 0.00 0.00 66.02 65.89 1chp s SER 100 CO 0.00 0.15 -0.17 -0.04 0.98 0.00 0.00 173.24 174.16 1chp s MET 101 N -0.91 1.37 -0.19 4.02 -1.94 -1.26 -1.24 119.30 119.15 1chp s MET 101 Ca 0.06 -0.61 -0.03 0.00 -1.71 0.00 0.00 55.69 53.40 1chp s MET 101 Cb -0.08 -1.33 0.06 0.00 2.01 0.00 0.00 34.83 35.49 1chp s MET 101 CO 0.01 0.36 0.03 0.00 -0.01 0.00 0.00 175.02 175.42 1chp s ALA 102 N -0.40 1.01 0.00 3.03 0.00 -1.24 -4.89 121.76 119.26 1chp s ALA 102 Ca 0.07 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.34 1chp s ALA 102 Cb -0.07 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 21.88 1chp s ALA 102 CO -0.01 -1.15 0.00 0.09 0.00 0.00 0.00 175.76 174.69