#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jrh s VAL 12 N 0.00 3.48 0.45 0.44 1.01 -1.26 -5.00 120.40 119.52 1jrh s VAL 12 Ca 0.00 1.18 -0.23 0.00 0.00 0.00 0.00 61.98 62.93 1jrh s VAL 12 Cb 0.00 -3.76 -0.09 0.00 0.00 0.00 0.00 36.38 32.53 1jrh s VAL 12 CO 0.00 0.16 1.03 -2.65 0.00 0.00 0.00 175.10 173.64 1jrh n PRO 13 N 2.90 1.35 -3.68 2.72 -0.02 -1.26 -4.51 135.00 132.50 1jrh n PRO 13 Ca 0.06 0.49 -0.37 0.00 -2.02 0.00 0.00 63.50 61.67 1jrh n PRO 13 Cb 0.44 -2.11 -0.07 0.00 -0.02 0.00 0.00 33.50 31.74 1jrh n PRO 13 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1jrh s THR 14 N -1.31 5.34 0.98 3.45 2.01 -1.26 -4.66 115.64 120.19 1jrh s THR 14 Ca 0.65 0.43 -0.11 0.00 0.31 0.00 0.00 61.69 62.96 1jrh s THR 14 Cb -0.52 -3.54 0.15 0.00 0.01 0.00 0.00 72.50 68.59 1jrh s THR 14 CO 0.55 0.51 0.93 -2.65 -0.69 0.00 0.00 174.62 173.27 1jrh n PRO 15 N 2.74 -0.82 -4.33 4.92 -0.02 -1.26 -5.01 135.00 131.22 1jrh n PRO 15 Ca -0.16 -0.19 -0.18 0.00 -2.02 0.00 0.00 63.50 60.96 1jrh n PRO 15 Cb 0.53 -2.21 -0.09 0.00 -0.02 0.00 0.00 33.50 31.71 1jrh n PRO 15 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1jrh s THR 16 N -2.53 0.32 -1.26 3.45 -4.23 -0.47 -4.77 115.64 106.14 1jrh s THR 16 Ca 0.65 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.99 1jrh s THR 16 Cb -0.23 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 71.10 1jrh s THR 16 CO 0.61 0.00 0.60 0.59 -0.54 0.00 0.00 174.62 175.88 1jrh n ASN 17 N -0.86 -3.15 -4.59 3.99 3.02 -1.26 -0.12 115.26 112.28 1jrh n ASN 17 Ca 0.01 -1.11 -0.42 0.00 -0.03 0.00 0.00 54.58 53.03 1jrh n ASN 17 Cb 0.65 -2.73 -0.02 0.00 -0.61 0.00 0.00 39.78 37.07 1jrh n ASN 17 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1jrh s VAL 18 N -3.69 3.73 -0.02 2.41 1.01 -1.26 -3.91 120.40 118.68 1jrh s VAL 18 Ca 0.31 0.70 0.01 0.00 0.00 0.00 0.00 61.98 63.00 1jrh s VAL 18 Cb -0.13 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 1jrh s VAL 18 CO 0.91 -0.78 0.01 -0.89 0.00 0.00 0.00 175.10 174.35 1jrh s THR 19 N 6.21 4.27 -0.10 3.92 2.01 0.13 -4.81 115.64 127.26 1jrh s THR 19 Ca 0.64 -0.51 0.04 0.00 0.31 0.00 0.00 61.69 62.17 1jrh s THR 19 Cb -0.15 -2.89 -0.00 0.00 0.01 0.00 0.00 72.50 69.47 1jrh s THR 19 CO 0.30 0.41 -0.24 0.27 -0.69 0.00 0.00 174.62 174.67 1jrh s ILE 20 N -1.07 2.06 0.02 1.82 -5.25 -1.26 -1.18 121.20 116.33 1jrh s ILE 20 Ca 0.19 -1.02 0.01 0.00 -0.99 0.00 0.00 60.65 58.84 1jrh s ILE 20 Cb -0.12 -1.77 -0.01 0.00 2.95 0.00 0.00 42.46 43.51 1jrh s ILE 20 CO 0.09 0.56 -0.05 -0.70 -1.79 0.00 0.00 174.94 173.06 1jrh s GLU 21 N 0.32 0.36 -0.38 0.37 2.12 -0.35 -5.01 118.70 116.13 1jrh s GLU 21 Ca -0.18 -0.43 0.06 0.00 0.36 0.00 0.00 54.97 54.78 1jrh s GLU 21 Cb -0.18 -0.20 0.18 0.00 0.26 0.00 0.00 34.13 34.20 1jrh s GLU 21 CO 0.09 0.04 0.66 0.45 -0.54 0.00 0.00 175.26 175.95 1jrh s SER 22 N -0.86 -1.46 -0.09 -1.70 0.15 -1.26 -0.74 113.70 107.74 1jrh s SER 22 Ca -0.06 -0.53 -0.23 0.00 0.70 0.00 0.00 55.95 55.84 1jrh s SER 22 Cb -0.06 1.87 -0.04 0.00 -1.71 0.00 0.00 66.02 66.09 1jrh s SER 22 CO -0.00 -0.19 0.67 -0.47 1.20 0.00 0.00 173.24 174.45 1jrh s TYR 23 N 2.08 3.55 0.00 3.44 6.14 -1.26 -4.79 117.35 126.50 1jrh s TYR 23 Ca 0.15 1.17 0.00 0.00 0.64 0.00 0.00 57.07 59.03 1jrh s TYR 23 Cb -0.05 -2.78 0.00 0.00 0.42 0.00 0.00 41.96 39.56 1jrh s TYR 23 CO -0.12 0.07 0.00 -1.71 0.64 0.00 0.00 175.55 174.43 1jrh n ASN 24 N 3.92 -2.09 -3.03 4.32 2.85 -1.26 -3.76 115.26 116.22 1jrh n ASN 24 Ca -0.02 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 54.06 1jrh n ASN 24 Cb 0.51 0.00 0.03 0.00 1.24 0.00 0.00 39.78 41.56 1jrh n ASN 24 CO 0.00 0.00 0.00 0.80 -2.11 0.00 0.00 177.26 175.95 1jrh n MET 25 N -0.48 3.28 -3.65 1.20 0.00 -1.26 -4.79 117.12 111.42 1jrh n MET 25 Ca 0.00 -3.62 -0.27 0.00 -0.00 0.00 0.00 57.70 53.81 1jrh n MET 25 Cb 0.00 -2.30 -0.10 0.00 0.00 0.00 0.00 33.22 30.81 1jrh n MET 25 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1jrh n ASN 26 N -0.25 2.19 -4.70 6.12 5.15 -1.25 -4.90 115.26 117.63 1jrh n ASN 26 Ca 0.52 -3.04 -0.42 0.00 -0.60 0.00 0.00 54.58 51.05 1jrh n ASN 26 Cb 0.27 -0.69 -0.03 0.00 -0.53 0.00 0.00 39.78 38.80 1jrh n ASN 26 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1jrh s PRO 27 N -1.31 4.26 -0.01 1.20 0.04 -1.26 -4.48 135.00 133.44 1jrh s PRO 27 Ca 0.30 2.14 0.01 0.00 0.04 0.00 0.00 61.00 63.50 1jrh s PRO 27 Cb 0.03 -3.43 -0.00 0.00 0.04 0.00 0.00 34.50 31.13 1jrh s PRO 27 CO -0.14 -0.58 -0.05 0.42 0.04 0.00 0.00 177.00 176.69 1jrh s ILE 28 N 1.93 0.38 -0.02 0.56 1.01 0.08 0.54 121.20 125.69 1jrh s ILE 28 Ca 0.67 -0.19 -0.08 0.00 0.00 0.00 0.00 60.65 61.05 1jrh s ILE 28 Cb -0.37 -0.33 -0.05 0.00 0.01 0.00 0.00 42.46 41.72 1jrh s ILE 28 CO 0.30 0.11 0.27 -0.69 0.00 0.00 0.00 174.94 174.93 1jrh s VAL 29 N -0.04 5.30 -0.01 2.92 1.01 0.61 -1.22 120.40 128.97 1jrh s VAL 29 Ca 0.01 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.28 1jrh s VAL 29 Cb -0.03 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1jrh s VAL 29 CO -0.00 0.44 -0.05 -0.31 0.00 0.00 0.00 175.10 175.18 1jrh s TYR 30 N -1.22 0.48 0.20 5.22 2.02 -0.33 -1.00 117.35 122.73 1jrh s TYR 30 Ca 0.25 -0.09 -0.04 0.00 -0.37 0.00 0.00 57.07 56.81 1jrh s TYR 30 Cb -0.13 -0.35 -0.03 0.00 -0.40 0.00 0.00 41.96 41.05 1jrh s TYR 30 CO 0.13 -0.04 0.22 1.67 -1.57 0.00 0.00 175.55 175.96 1jrh s TRP 31 N 0.10 0.89 0.12 2.71 -2.14 -1.14 0.20 118.94 119.68 1jrh s TRP 31 Ca -0.01 -1.16 0.06 0.00 2.66 0.00 0.00 56.10 57.65 1jrh s TRP 31 Cb -0.05 -0.33 -0.04 0.00 -3.10 0.00 0.00 33.47 29.95 1jrh s TRP 31 CO -0.00 -0.72 -0.04 -1.21 -2.66 0.00 0.00 176.95 172.32 1jrh s GLU 32 N -4.10 2.35 0.12 3.25 0.41 0.82 -4.80 118.70 116.75 1jrh s GLU 32 Ca 0.32 -0.99 -0.13 0.00 -0.41 0.00 0.00 54.97 53.76 1jrh s GLU 32 Cb 0.05 -2.40 0.02 0.00 -1.78 0.00 0.00 34.13 30.02 1jrh s GLU 32 CO 0.10 0.50 0.32 -0.47 -0.49 0.00 0.00 175.26 175.22 1jrh s TYR 33 N -1.41 -0.01 0.54 1.61 5.04 -1.26 -1.37 117.35 120.48 1jrh s TYR 33 Ca 0.25 -0.36 -0.03 0.00 -2.44 0.00 0.00 57.07 54.49 1jrh s TYR 33 Cb -0.11 0.12 0.01 0.00 0.35 0.00 0.00 41.96 42.33 1jrh s TYR 33 CO 0.17 -0.66 0.81 1.14 -1.34 0.00 0.00 175.55 175.66 1jrh s GLN 34 N -3.85 2.93 0.19 4.97 -2.07 -1.26 -5.06 119.66 115.51 1jrh s GLN 34 Ca 0.05 -0.25 -0.27 0.00 -1.82 0.00 0.00 55.36 53.07 1jrh s GLN 34 Cb 0.03 -2.39 -0.08 0.00 -1.09 0.00 0.00 33.01 29.47 1jrh s GLN 34 CO -0.10 -0.55 0.85 0.96 -1.32 0.00 0.00 175.29 175.13 1jrh s ILE 35 N -2.81 4.27 0.05 3.63 -5.25 -1.26 -5.03 121.20 114.80 1jrh s ILE 35 Ca 0.52 1.87 0.04 0.00 -0.99 0.00 0.00 60.65 62.08 1jrh s ILE 35 Cb -0.10 -4.22 -0.02 0.00 2.95 0.00 0.00 42.46 41.06 1jrh s ILE 35 CO 0.42 0.50 -0.11 -0.04 -1.79 0.00 0.00 174.94 173.92 1jrh s MET 36 N -1.07 0.68 0.58 0.37 -1.94 -1.26 -5.03 119.30 111.62 1jrh s MET 36 Ca 0.38 -0.80 0.34 0.00 -1.71 0.00 0.00 55.69 53.90 1jrh s MET 36 Cb -0.24 -0.57 1.73 0.00 2.01 0.00 0.00 34.83 37.76 1jrh s MET 36 CO 0.28 0.12 2.14 -1.00 -0.01 0.00 0.00 175.02 176.56 1jrh h PRO 37 N 4.55 0.00 -6.16 2.03 0.13 -2.07 -3.43 132.00 127.05 1jrh h PRO 37 Ca -0.38 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.25 1jrh h PRO 37 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1jrh h PRO 37 CO 0.41 0.05 -0.37 -0.65 -0.23 0.00 0.00 178.00 177.21 1jrh s GLN 38 N -4.05 2.50 -0.50 0.86 -0.21 -1.26 -5.08 119.66 111.92 1jrh s GLN 38 Ca -0.02 -1.58 -0.23 0.00 0.02 0.00 0.00 55.36 53.55 1jrh s GLN 38 Cb 0.12 -2.35 0.04 0.00 1.00 0.00 0.00 33.01 31.81 1jrh s GLN 38 CO 0.52 -0.23 0.83 0.54 -2.12 0.00 0.00 175.29 174.83 1jrh s VAL 39 N -2.50 4.57 -0.06 1.09 0.11 -1.26 -5.01 120.40 117.34 1jrh s VAL 39 Ca 0.47 0.25 -0.30 0.00 -2.93 0.00 0.00 61.98 59.47 1jrh s VAL 39 Cb -0.03 -4.41 -0.04 0.00 -1.53 0.00 0.00 36.38 30.37 1jrh s VAL 39 CO 0.28 -0.90 1.39 -2.84 -3.33 0.00 0.00 175.10 169.70 1jrh s PRO 40 N 3.48 4.26 -0.18 1.54 0.02 -1.26 -4.77 135.00 138.09 1jrh s PRO 40 Ca 0.28 1.90 -0.01 0.00 0.02 0.00 0.00 61.00 63.19 1jrh s PRO 40 Cb -0.13 -3.70 -0.01 0.00 0.02 0.00 0.00 34.50 30.69 1jrh s PRO 40 CO 0.20 -0.64 -0.11 0.54 -0.33 0.00 0.00 177.00 176.66 1jrh s VAL 41 N 2.96 3.01 0.31 3.83 0.11 -0.54 -4.59 120.40 125.50 1jrh s VAL 41 Ca 0.62 -0.64 0.06 0.00 -2.93 0.00 0.00 61.98 59.10 1jrh s VAL 41 Cb -0.29 -2.31 -0.02 0.00 -1.53 0.00 0.00 36.38 32.24 1jrh s VAL 41 CO 0.24 0.49 0.40 -0.36 -3.33 0.00 0.00 175.10 172.53 1jrh s PHE 42 N 0.97 3.13 -0.04 1.54 0.08 -0.04 -0.71 117.98 122.92 1jrh s PHE 42 Ca -0.01 -0.19 0.02 0.00 0.12 0.00 0.00 56.93 56.86 1jrh s PHE 42 Cb -0.15 -1.85 0.01 0.00 -0.57 0.00 0.00 43.02 40.47 1jrh s PHE 42 CO -0.01 0.13 -0.08 0.99 -0.10 0.00 0.00 175.22 176.16 1jrh s THR 43 N -2.16 0.74 -0.10 0.64 2.01 -0.89 -1.57 115.64 114.31 1jrh s THR 43 Ca 0.42 -0.28 0.03 0.00 0.31 0.00 0.00 61.69 62.16 1jrh s THR 43 Cb -0.09 -0.70 -0.01 0.00 0.01 0.00 0.00 72.50 71.71 1jrh s THR 43 CO 0.30 0.26 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.60 1jrh s VAL 44 N 0.58 2.52 0.04 3.82 1.01 0.40 -2.26 120.40 126.50 1jrh s VAL 44 Ca -0.09 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.10 1jrh s VAL 44 Cb -0.12 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 1jrh s VAL 44 CO 0.01 0.55 -0.22 -1.61 0.00 0.00 0.00 175.10 173.83 1jrh s GLU 45 N 0.22 1.53 0.02 2.72 2.02 -0.51 -0.49 118.70 124.21 1jrh s GLU 45 Ca -0.12 -0.98 0.04 0.00 0.02 0.00 0.00 54.97 53.92 1jrh s GLU 45 Cb -0.16 -1.65 -0.01 0.00 0.10 0.00 0.00 34.13 32.40 1jrh s GLU 45 CO 0.07 0.42 -0.11 0.54 0.02 0.00 0.00 175.26 176.20 1jrh s VAL 46 N -0.78 0.86 -0.01 2.63 0.11 -0.87 -1.58 120.40 120.76 1jrh s VAL 46 Ca 0.09 -0.72 -0.01 0.00 -2.93 0.00 0.00 61.98 58.41 1jrh s VAL 46 Cb -0.09 -0.77 0.00 0.00 -1.53 0.00 0.00 36.38 34.00 1jrh s VAL 46 CO 0.02 0.05 0.02 -1.59 -3.33 0.00 0.00 175.10 170.27 1jrh s LYS 47 N -0.76 0.02 0.23 1.54 -2.85 -0.67 -2.31 119.74 114.94 1jrh s LYS 47 Ca 0.01 0.04 0.04 0.00 -1.00 0.00 0.00 55.97 55.07 1jrh s LYS 47 Cb -0.06 -0.00 -0.03 0.00 -2.06 0.00 0.00 37.83 35.68 1jrh s LYS 47 CO 0.00 -0.01 0.35 0.54 0.10 0.00 0.00 175.35 176.33 1jrh s ASN 48 N 0.07 6.32 0.08 0.03 6.03 -1.26 -1.53 114.94 124.68 1jrh s ASN 48 Ca -0.00 0.10 -0.20 0.00 -1.03 0.00 0.00 52.86 51.73 1jrh s ASN 48 Cb -0.01 -1.87 0.05 0.00 -3.03 0.00 0.00 41.25 36.38 1jrh s ASN 48 CO -0.00 -0.06 0.47 -0.47 -2.03 0.00 0.00 177.10 175.02 1jrh s TYR 49 N -1.95 -0.35 0.00 1.54 5.04 0.25 -3.53 117.35 118.36 1jrh s TYR 49 Ca 0.34 0.25 0.00 0.00 -2.44 0.00 0.00 57.07 55.22 1jrh s TYR 49 Cb -0.09 0.32 0.00 0.00 0.35 0.00 0.00 41.96 42.54 1jrh s TYR 49 CO 0.29 -0.67 0.00 0.41 -1.34 0.00 0.00 175.55 174.24 1jrh n GLY 50 N 0.16 1.34 0.14 8.97 0.00 -1.26 -0.37 105.19 114.17 1jrh n GLY 50 Ca -0.18 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 1jrh n GLY 50 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1jrh h VAL 51 N 0.00 1.34 -5.17 1.61 2.07 -1.96 -3.46 116.25 110.68 1jrh h VAL 51 Ca 0.00 -1.31 -0.39 0.00 0.82 0.00 0.00 66.70 65.82 1jrh h VAL 51 Cb 0.00 1.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 1jrh h VAL 51 CO 0.00 0.39 -0.20 0.29 0.02 0.00 0.00 177.57 178.07 1jrh n LYS 52 N -4.53 0.98 -2.91 1.57 5.02 -1.26 -5.11 118.16 111.92 1jrh n LYS 52 Ca -0.06 -2.30 -0.12 0.00 -2.02 0.00 0.00 58.31 53.81 1jrh n LYS 52 Cb 0.37 0.29 -0.00 0.00 -0.02 0.00 0.00 35.03 35.67 1jrh n LYS 52 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1jrh n ASN 53 N -1.82 -2.23 -4.56 4.39 6.94 -1.26 -4.21 115.26 112.51 1jrh n ASN 53 Ca -0.03 -2.98 -0.29 0.00 -0.02 0.00 0.00 54.58 51.26 1jrh n ASN 53 Cb 0.42 1.09 0.17 0.00 -2.36 0.00 0.00 39.78 39.10 1jrh n ASN 53 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1jrh s SER 54 N -0.69 2.77 0.84 0.53 1.04 -1.23 -5.07 113.70 111.89 1jrh s SER 54 Ca 0.32 0.93 -0.08 0.00 0.48 0.00 0.00 55.95 57.60 1jrh s SER 54 Cb 0.13 -1.45 0.16 0.00 0.10 0.00 0.00 66.02 64.96 1jrh s SER 54 CO -0.16 -3.01 1.15 -1.61 0.98 0.00 0.00 173.24 170.59 1jrh s GLU 55 N -5.24 1.19 -0.18 4.02 2.02 -1.26 -4.79 118.70 114.45 1jrh s GLU 55 Ca 0.66 -0.77 -0.25 0.00 0.02 0.00 0.00 54.97 54.63 1jrh s GLU 55 Cb -0.15 -2.10 -0.01 0.00 0.10 0.00 0.00 34.13 31.98 1jrh s GLU 55 CO 0.55 -1.91 0.83 -1.58 0.02 0.00 0.00 175.26 173.17 1jrh s TRP 56 N -3.50 3.40 -0.08 1.61 0.52 -1.26 -4.64 118.94 114.98 1jrh s TRP 56 Ca 0.70 1.23 0.01 0.00 0.02 0.00 0.00 56.10 58.06 1jrh s TRP 56 Cb -0.05 -3.02 -0.02 0.00 -1.15 0.00 0.00 33.47 29.23 1jrh s TRP 56 CO 0.48 -0.27 -0.11 -1.50 0.02 0.00 0.00 176.95 175.58 1jrh s ILE 57 N 2.26 3.34 0.34 2.03 2.07 -0.98 -4.94 121.20 125.32 1jrh s ILE 57 Ca 0.38 -0.60 -0.29 0.00 -1.41 0.00 0.00 60.65 58.73 1jrh s ILE 57 Cb -0.16 -2.36 -0.11 0.00 0.13 0.00 0.00 42.46 39.96 1jrh s ILE 57 CO 0.11 0.57 1.44 -1.81 -1.91 0.00 0.00 174.94 173.34 1jrh s ASP 58 N -0.43 6.50 -0.05 4.50 1.01 -1.26 -2.05 116.67 124.90 1jrh s ASP 58 Ca 0.06 2.90 -0.01 0.00 0.71 0.00 0.00 52.55 56.20 1jrh s ASP 58 Cb -0.12 -2.66 -0.02 0.00 1.01 0.00 0.00 42.92 41.13 1jrh s ASP 58 CO 0.02 -0.76 -0.05 0.00 0.21 0.00 0.00 175.17 174.59 1jrh n ALA 59 N 0.89 2.33 -3.73 5.23 0.00 0.36 -4.90 120.51 120.69 1jrh n ALA 59 Ca 0.02 -0.19 -0.26 0.00 0.00 0.00 0.00 53.44 53.01 1jrh n ALA 59 Cb 0.40 0.42 -0.17 0.00 0.00 0.00 0.00 19.45 20.10 1jrh n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jrh s ILE 61 N 1.93 5.38 -0.17 0.00 1.01 -1.26 -0.45 121.20 127.63 1jrh s ILE 61 Ca 0.01 0.13 -0.08 0.00 0.00 0.00 0.00 60.65 60.71 1jrh s ILE 61 Cb -0.15 -3.35 0.01 0.00 0.01 0.00 0.00 42.46 38.97 1jrh s ILE 61 CO -0.07 0.59 0.20 -0.46 0.00 0.00 0.00 174.94 175.19 1jrh n ASN 62 N 1.89 -1.58 -4.59 3.58 6.94 -0.75 -4.95 115.26 115.79 1jrh n ASN 62 Ca -0.19 -0.13 -0.23 0.00 -0.02 0.00 0.00 54.58 54.01 1jrh n ASN 62 Cb 0.55 -0.48 -0.08 0.00 -2.36 0.00 0.00 39.78 37.40 1jrh n ASN 62 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 1jrh s ILE 63 N -1.04 3.13 -0.14 1.53 -4.36 -0.61 -4.84 121.20 114.87 1jrh s ILE 63 Ca 0.08 -2.06 0.05 0.00 -0.26 0.00 0.00 60.65 58.46 1jrh s ILE 63 Cb -0.01 -2.68 -0.23 0.00 1.25 0.00 0.00 42.46 40.78 1jrh s ILE 63 CO 0.27 -0.37 0.30 -1.54 0.24 0.00 0.00 174.94 173.83 1jrh n SER 64 N -0.82 1.35 -4.77 4.36 3.41 -1.26 -0.86 113.62 115.03 1jrh n SER 64 Ca -0.06 0.17 -0.31 0.00 -0.26 0.00 0.00 58.87 58.42 1jrh n SER 64 Cb 0.59 -0.22 0.09 0.00 -0.26 0.00 0.00 64.21 64.42 1jrh n SER 64 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1jrh s HIS 65 N -2.55 2.68 -0.45 7.33 0.00 -1.26 -4.83 115.29 116.21 1jrh s HIS 65 Ca -0.17 1.40 -0.03 0.00 -3.00 0.00 0.00 55.06 53.26 1jrh s HIS 65 Cb 0.07 -3.04 0.16 0.00 -4.00 0.00 0.00 32.58 25.77 1jrh s HIS 65 CO 0.77 -1.79 2.42 0.72 -1.00 0.00 0.00 174.74 175.85 1jrh n HIS 66 N -3.50 1.80 -3.51 0.38 -0.00 -1.26 -4.88 115.22 104.25 1jrh n HIS 66 Ca 0.08 -2.07 -0.11 0.00 -0.00 0.00 0.00 57.72 55.62 1jrh n HIS 66 Cb 0.54 -1.24 -0.02 0.00 -0.00 0.00 0.00 29.99 29.27 1jrh n HIS 66 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.34 177.86 1jrh s TYR 67 N -2.08 -0.45 -0.30 4.41 -0.85 -1.26 -2.86 117.35 113.97 1jrh s TYR 67 Ca 0.50 0.19 -0.09 0.00 -0.52 0.00 0.00 57.07 57.15 1jrh s TYR 67 Cb 0.35 0.56 0.15 0.00 0.38 0.00 0.00 41.96 43.39 1jrh s TYR 67 CO -0.15 -0.90 0.68 0.00 -1.52 0.00 0.00 175.55 173.66 1jrh s ASN 69 N 2.85 7.12 -0.21 0.00 3.84 -1.26 -0.29 114.94 127.00 1jrh s ASN 69 Ca 0.00 1.38 0.14 0.00 0.21 0.00 0.00 52.86 54.58 1jrh s ASN 69 Cb -0.12 -2.51 0.44 0.00 -0.55 0.00 0.00 41.25 38.50 1jrh s ASN 69 CO -0.19 -0.44 1.32 2.30 -2.79 0.00 0.00 177.10 177.30 1jrh n ILE 70 N 4.66 2.25 -0.19 -5.21 -5.35 0.19 -4.79 119.36 110.92 1jrh n ILE 70 Ca 0.07 -2.55 -0.02 0.00 -0.27 0.00 0.00 62.75 59.99 1jrh n ILE 70 Cb 0.49 -0.27 0.05 0.00 -1.74 0.00 0.00 39.64 38.16 1jrh n ILE 70 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1jrh h SER 71 N 0.92 -0.58 0.00 7.28 0.02 -1.90 -0.92 113.55 118.38 1jrh h SER 71 Ca 0.07 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1jrh h SER 71 Cb 1.30 0.37 0.00 0.00 0.14 0.00 0.00 62.40 64.21 1jrh h SER 71 CO 0.17 -0.20 0.00 -0.90 -1.14 0.00 0.00 176.83 174.76 1jrh n ASP 72 N -5.40 0.39 0.00 3.07 5.75 -1.26 -2.00 116.55 117.09 1jrh n ASP 72 Ca 0.06 -1.06 0.00 0.00 -0.01 0.00 0.00 54.79 53.78 1jrh n ASP 72 Cb 0.31 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 1jrh n ASP 72 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1jrh n HIS 73 N 0.04 0.00 -3.58 2.11 8.25 -0.35 -5.03 115.22 116.66 1jrh n HIS 73 Ca 0.00 -0.22 -0.36 0.00 -0.26 0.00 0.00 57.72 56.89 1jrh n HIS 73 Cb 0.10 -0.02 -0.06 0.00 1.12 0.00 0.00 29.99 31.13 1jrh n HIS 73 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1jrh s VAL 74 N -0.43 5.11 -0.30 1.59 0.11 -0.85 -4.96 120.40 120.66 1jrh s VAL 74 Ca 0.00 0.54 -0.16 0.00 -2.93 0.00 0.00 61.98 59.42 1jrh s VAL 74 Cb 0.00 -3.65 0.21 0.00 -1.53 0.00 0.00 36.38 31.42 1jrh s VAL 74 CO 0.00 0.39 1.28 -0.83 -3.33 0.00 0.00 175.10 172.62 1jrh s GLY 75 N -1.53 0.66 -0.16 6.54 0.00 -1.26 -5.08 107.32 106.49 1jrh s GLY 75 Ca 0.29 3.89 -0.02 0.00 0.00 0.00 0.00 44.72 48.88 1jrh s GLY 75 CO 0.16 2.84 0.03 1.34 0.00 0.00 0.00 173.10 177.47 1jrh n ASP 76 N 3.17 -4.39 0.01 1.64 2.03 -1.26 -4.71 116.55 113.04 1jrh n ASP 76 Ca -0.16 0.80 0.01 0.00 0.52 0.00 0.00 54.79 55.95 1jrh n ASP 76 Cb 0.56 -3.43 0.03 0.00 -0.72 0.00 0.00 41.12 37.56 1jrh n ASP 76 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1jrh n PRO 77 N 0.53 0.01 0.10 -0.67 -0.04 -1.26 -1.69 135.00 131.97 1jrh n PRO 77 Ca -0.06 0.40 -0.05 0.00 -0.04 0.00 0.00 63.50 63.75 1jrh n PRO 77 Cb 0.09 -1.64 0.08 0.00 -0.04 0.00 0.00 33.50 31.98 1jrh n PRO 77 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1jrh h SER 78 N 0.00 0.17 -3.77 3.54 0.02 -1.94 -3.45 113.55 108.11 1jrh h SER 78 Ca 0.00 -0.12 -0.49 0.00 -0.84 0.00 0.00 61.79 60.35 1jrh h SER 78 Cb 0.24 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 1jrh h SER 78 CO 0.00 0.83 0.13 0.20 -1.14 0.00 0.00 176.83 176.85 1jrh s ASN 79 N -6.88 6.77 0.17 3.07 0.01 -0.68 -4.69 114.94 112.70 1jrh s ASN 79 Ca -0.03 1.32 0.03 0.00 -0.71 0.00 0.00 52.86 53.47 1jrh s ASN 79 Cb 0.11 -2.39 -0.03 0.00 0.41 0.00 0.00 41.25 39.35 1jrh s ASN 79 CO 0.80 -0.25 0.31 -0.44 -1.51 0.00 0.00 177.10 176.00 1jrh s SER 80 N -2.36 6.34 0.04 -1.22 0.01 0.50 -4.84 113.70 112.16 1jrh s SER 80 Ca 0.55 0.17 0.06 0.00 1.31 0.00 0.00 55.95 58.03 1jrh s SER 80 Cb -0.10 -1.91 -0.03 0.00 0.21 0.00 0.00 66.02 64.19 1jrh s SER 80 CO 0.18 0.02 -0.13 -0.76 0.41 0.00 0.00 173.24 172.97 1jrh s LEU 81 N -3.40 2.87 0.05 2.44 1.43 -0.19 -0.58 118.68 121.30 1jrh s LEU 81 Ca 0.35 -0.32 0.05 0.00 -1.03 0.00 0.00 54.13 53.18 1jrh s LEU 81 Cb -0.11 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 1jrh s LEU 81 CO 0.29 0.25 -0.13 0.26 0.23 0.00 0.00 176.35 177.25 1jrh s TRP 82 N -0.99 1.16 0.12 0.29 0.52 -0.58 -1.54 118.94 117.92 1jrh s TRP 82 Ca 0.16 -0.39 0.06 0.00 0.02 0.00 0.00 56.10 55.95 1jrh s TRP 82 Cb -0.11 -0.68 -0.04 0.00 -1.15 0.00 0.00 33.47 31.49 1jrh s TRP 82 CO 0.07 0.03 -0.13 0.08 0.02 0.00 0.00 176.95 177.02 1jrh s VAL 83 N -0.99 1.30 -0.05 4.03 1.01 -1.26 -1.67 120.40 122.77 1jrh s VAL 83 Ca -0.00 -1.75 -0.10 0.00 0.00 0.00 0.00 61.98 60.13 1jrh s VAL 83 Cb -0.08 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 34.76 1jrh s VAL 83 CO 0.01 -0.46 0.23 0.00 0.00 0.00 0.00 175.10 174.89 1jrh s ARG 84 N -2.79 0.45 -0.00 2.72 1.70 -0.61 0.77 118.95 121.19 1jrh s ARG 84 Ca 0.10 -0.01 0.01 0.00 -0.47 0.00 0.00 55.73 55.36 1jrh s ARG 84 Cb -0.04 0.20 -0.00 0.00 -0.57 0.00 0.00 34.95 34.54 1jrh s ARG 84 CO 0.03 -0.10 -0.04 0.08 -1.08 0.00 0.00 175.30 174.19 1jrh s VAL 85 N -0.69 0.35 0.30 4.99 1.01 -0.79 -1.43 120.40 124.15 1jrh s VAL 85 Ca -0.08 -0.18 0.06 0.00 0.00 0.00 0.00 61.98 61.78 1jrh s VAL 85 Cb -0.04 -0.30 -0.06 0.00 0.00 0.00 0.00 36.38 35.97 1jrh s VAL 85 CO 0.02 0.10 -0.04 -1.59 0.00 0.00 0.00 175.10 173.59 1jrh s LYS 86 N -0.05 1.62 0.05 2.72 -2.85 -0.96 -0.23 119.74 120.03 1jrh s LYS 86 Ca 0.01 -1.85 0.07 0.00 -1.00 0.00 0.00 55.97 53.21 1jrh s LYS 86 Cb -0.02 -1.19 -0.03 0.00 -2.06 0.00 0.00 37.83 34.53 1jrh s LYS 86 CO -0.00 0.00 -0.21 0.00 0.10 0.00 0.00 175.35 175.25 1jrh s ALA 87 N -3.00 1.74 0.03 0.59 0.00 -1.26 -2.10 121.76 117.76 1jrh s ALA 87 Ca 0.31 -1.06 0.05 0.00 0.00 0.00 0.00 51.96 51.27 1jrh s ALA 87 Cb 0.05 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 1jrh s ALA 87 CO 0.13 0.39 -0.16 0.50 0.00 0.00 0.00 175.76 176.62 1jrh s ARG 88 N -1.20 1.14 -0.28 0.00 3.52 0.11 0.57 118.95 122.80 1jrh s ARG 88 Ca 0.07 -0.75 0.00 0.00 -0.13 0.00 0.00 55.73 54.92 1jrh s ARG 88 Cb -0.09 -1.16 0.14 0.00 -1.56 0.00 0.00 34.95 32.28 1jrh s ARG 88 CO 0.02 0.30 0.35 0.08 -0.81 0.00 0.00 175.30 175.24 1jrh s VAL 89 N -0.71 -0.53 0.00 7.11 1.01 -1.00 -1.46 120.40 124.82 1jrh s VAL 89 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1jrh s VAL 89 Cb -0.08 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.36 1jrh s VAL 89 CO 0.01 -0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.40 1jrh n GLY 90 N 5.34 0.51 0.77 4.51 0.00 -1.26 -3.52 105.19 111.54 1jrh n GLY 90 Ca -0.01 -0.93 0.07 0.00 0.00 0.00 0.00 46.02 45.15 1jrh n GLY 90 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jrh n GLN 91 N 8.10 2.26 -4.08 1.61 6.02 -1.26 -4.98 117.38 125.05 1jrh n GLN 91 Ca 0.00 -1.96 -0.32 0.00 -0.01 0.00 0.00 57.00 54.71 1jrh n GLN 91 Cb 0.00 -1.34 -0.07 0.00 1.02 0.00 0.00 30.24 29.86 1jrh n GLN 91 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1jrh s LYS 92 N -1.08 2.96 0.24 -1.09 1.02 -1.23 -5.13 119.74 115.43 1jrh s LYS 92 Ca 0.27 -0.60 0.05 0.00 0.02 0.00 0.00 55.97 55.71 1jrh s LYS 92 Cb 0.15 -2.78 -0.05 0.00 -0.52 0.00 0.00 37.83 34.62 1jrh s LYS 92 CO 0.20 0.60 -0.05 -1.21 -0.92 0.00 0.00 175.35 173.98 1jrh s GLU 93 N -2.07 1.39 0.37 1.68 2.02 -1.26 -2.37 118.70 118.46 1jrh s GLU 93 Ca 0.26 -1.68 0.07 0.00 0.02 0.00 0.00 54.97 53.64 1jrh s GLU 93 Cb -0.12 -0.87 -0.00 0.00 0.10 0.00 0.00 34.13 33.23 1jrh s GLU 93 CO 0.18 0.00 0.50 -1.54 0.02 0.00 0.00 175.26 174.42 1jrh s SER 94 N -3.34 5.82 0.81 -0.19 1.04 0.19 -4.43 113.70 113.60 1jrh s SER 94 Ca 0.27 -0.30 -0.12 0.00 0.48 0.00 0.00 55.95 56.29 1jrh s SER 94 Cb 0.04 -0.99 0.08 0.00 0.10 0.00 0.00 66.02 65.24 1jrh s SER 94 CO 0.09 -0.56 1.11 0.00 0.98 0.00 0.00 173.24 174.85 1jrh s ALA 95 N -2.25 2.23 0.22 5.32 0.00 -1.26 -4.40 121.76 121.61 1jrh s ALA 95 Ca 0.49 -0.28 -0.30 0.00 0.00 0.00 0.00 51.96 51.87 1jrh s ALA 95 Cb -0.09 -3.09 -0.08 0.00 0.00 0.00 0.00 23.12 19.85 1jrh s ALA 95 CO 0.32 -1.78 0.96 0.71 0.00 0.00 0.00 175.76 175.97 1jrh s TYR 96 N -3.20 3.91 -0.54 0.00 2.02 -1.26 -4.54 117.35 113.73 1jrh s TYR 96 Ca 0.61 1.87 -0.19 0.00 -0.37 0.00 0.00 57.07 58.98 1jrh s TYR 96 Cb -0.14 -3.03 0.07 0.00 -0.40 0.00 0.00 41.96 38.46 1jrh s TYR 96 CO 0.54 0.29 0.68 0.00 -1.57 0.00 0.00 175.55 175.48 1jrh s ALA 97 N -0.94 3.37 0.30 3.71 0.00 0.67 -4.89 121.76 123.99 1jrh s ALA 97 Ca 0.43 -1.85 -0.27 0.00 0.00 0.00 0.00 51.96 50.26 1jrh s ALA 97 Cb -0.26 -3.44 -0.09 0.00 0.00 0.00 0.00 23.12 19.32 1jrh s ALA 97 CO 0.33 -2.15 0.99 0.15 0.00 0.00 0.00 175.76 175.07 1jrh s LYS 98 N 2.77 4.61 0.34 0.00 1.02 -1.26 -1.88 119.74 125.34 1jrh s LYS 98 Ca 0.15 1.49 0.07 0.00 0.02 0.00 0.00 55.97 57.70 1jrh s LYS 98 Cb -0.20 -2.97 -0.02 0.00 -0.52 0.00 0.00 37.83 34.12 1jrh s LYS 98 CO 0.11 0.27 0.34 -1.54 -0.92 0.00 0.00 175.35 173.60 1jrh s SER 99 N -1.35 5.43 0.87 2.83 1.04 0.23 -4.96 113.70 117.80 1jrh s SER 99 Ca 0.48 -0.43 -0.10 0.00 0.48 0.00 0.00 55.95 56.37 1jrh s SER 99 Cb -0.24 -1.02 0.17 0.00 0.10 0.00 0.00 66.02 65.04 1jrh s SER 99 CO 0.30 -0.38 1.20 -1.83 0.98 0.00 0.00 173.24 173.51 1jrh s GLU 100 N -4.04 1.03 0.79 4.02 -1.05 -1.26 -4.48 118.70 113.70 1jrh s GLU 100 Ca 0.42 -0.67 -0.13 0.00 -0.15 0.00 0.00 54.97 54.44 1jrh s GLU 100 Cb -0.07 -2.03 0.07 0.00 -0.44 0.00 0.00 34.13 31.67 1jrh s GLU 100 CO 0.28 -2.06 1.18 -2.00 0.95 0.00 0.00 175.26 173.61 1jrh s GLU 101 N -5.61 1.79 -0.08 -4.83 2.12 -1.26 -4.50 118.70 106.32 1jrh s GLU 101 Ca 0.71 1.65 -0.03 0.00 0.36 0.00 0.00 54.97 57.66 1jrh s GLU 101 Cb -0.04 -1.80 0.05 0.00 0.26 0.00 0.00 34.13 32.59 1jrh s GLU 101 CO 0.50 -2.08 0.16 0.12 -0.54 0.00 0.00 175.26 173.42 1jrh s PHE 102 N -2.26 -0.19 0.00 5.30 5.36 -0.59 -4.99 117.98 120.62 1jrh s PHE 102 Ca 0.71 0.59 0.00 0.00 -0.96 0.00 0.00 56.93 57.27 1jrh s PHE 102 Cb -0.26 -0.20 0.00 0.00 -0.34 0.00 0.00 43.02 42.22 1jrh s PHE 102 CO 0.50 -0.25 0.00 0.00 -1.46 0.00 0.00 175.22 174.02 1jrh n ALA 103 N 5.01 1.76 -2.69 11.12 0.00 -1.26 -1.02 120.51 133.42 1jrh n ALA 103 Ca -0.11 -0.03 -0.33 0.00 0.00 0.00 0.00 53.44 52.98 1jrh n ALA 103 Cb 0.50 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.81 1jrh n ALA 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1jrh s VAL 104 N -0.42 2.95 0.00 0.00 0.11 -1.26 -4.91 120.40 116.87 1jrh s VAL 104 Ca 0.00 -0.74 0.00 0.00 -2.93 0.00 0.00 61.98 58.31 1jrh s VAL 104 Cb 0.00 -2.17 0.00 0.00 -1.53 0.00 0.00 36.38 32.68 1jrh s VAL 104 CO 0.00 0.57 0.00 -0.24 -3.33 0.00 0.00 175.10 172.10