#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rn1 h ASP 3 N 3.91 0.42 -3.72 0.00 3.32 -1.32 -3.45 116.42 115.58 1rn1 h ASP 3 Ca -0.45 -0.36 -0.25 0.00 0.02 0.00 0.00 57.03 55.99 1rn1 h ASP 3 Cb 1.19 -0.13 -0.29 0.00 0.22 0.00 0.00 39.33 40.32 1rn1 h ASP 3 CO 0.42 1.19 -0.73 -0.31 -1.72 0.00 0.00 179.24 178.09 1rn1 s TYR 4 N -3.12 0.07 -0.21 4.55 2.02 -0.75 -4.95 117.35 114.96 1rn1 s TYR 4 Ca -0.04 0.00 0.00 0.00 -0.37 0.00 0.00 57.07 56.66 1rn1 s TYR 4 Cb 0.09 -0.08 0.05 0.00 -0.40 0.00 0.00 41.96 41.62 1rn1 s TYR 4 CO 0.86 -0.02 -0.07 0.99 -1.57 0.00 0.00 175.55 175.75 1rn1 s THR 5 N 0.15 1.47 -0.41 -0.71 2.01 -1.26 -0.25 115.64 116.64 1rn1 s THR 5 Ca -0.01 -1.05 -0.04 0.00 0.31 0.00 0.00 61.69 60.89 1rn1 s THR 5 Cb -0.02 -1.67 0.10 0.00 0.01 0.00 0.00 72.50 70.91 1rn1 s THR 5 CO -0.00 0.01 0.21 0.00 -0.69 0.00 0.00 174.62 174.15 1rn1 n GLY 7 N 4.68 3.51 0.40 0.00 0.00 -1.26 -1.33 105.19 111.19 1rn1 n GLY 7 Ca -0.05 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.00 1rn1 n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rn1 n SER 8 N 7.72 1.74 -4.77 1.61 3.41 -1.26 -4.94 113.62 117.12 1rn1 n SER 8 Ca 0.00 -1.34 -0.38 0.00 -0.26 0.00 0.00 58.87 56.89 1rn1 n SER 8 Cb 0.00 0.46 -0.05 0.00 -0.26 0.00 0.00 64.21 64.36 1rn1 n SER 8 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1rn1 s ASN 9 N -2.53 7.13 -0.23 4.04 0.01 -0.44 -5.04 114.94 117.88 1rn1 s ASN 9 Ca 0.19 2.03 0.01 0.00 -0.71 0.00 0.00 52.86 54.38 1rn1 s ASN 9 Cb 0.18 -2.60 0.04 0.00 0.41 0.00 0.00 41.25 39.28 1rn1 s ASN 9 CO 0.59 -0.22 -0.14 0.00 -1.51 0.00 0.00 177.10 175.82 1rn1 s TYR 11 N 1.21 2.70 0.48 0.00 2.02 0.65 -5.00 117.35 119.41 1rn1 s TYR 11 Ca -0.02 -0.27 0.06 0.00 -0.37 0.00 0.00 57.07 56.48 1rn1 s TYR 11 Cb -0.17 -1.66 0.03 0.00 -0.40 0.00 0.00 41.96 39.77 1rn1 s TYR 11 CO -0.08 0.10 0.66 -1.54 -1.57 0.00 0.00 175.55 173.12 1rn1 s SER 12 N -0.53 5.45 0.41 2.29 1.04 -1.26 -0.86 113.70 120.23 1rn1 s SER 12 Ca 0.07 -0.37 0.13 0.00 0.48 0.00 0.00 55.95 56.26 1rn1 s SER 12 Cb -0.12 -0.57 0.97 0.00 0.10 0.00 0.00 66.02 66.41 1rn1 s SER 12 CO 0.01 -0.96 1.94 0.28 0.98 0.00 0.00 173.24 175.49 1rn1 h SER 13 N 0.40 0.46 -0.42 7.02 0.02 -1.97 -1.62 113.55 117.44 1rn1 h SER 13 Ca -0.39 0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.43 1rn1 h SER 13 Cb 1.28 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 1rn1 h SER 13 CO 0.46 0.26 -0.29 0.28 -1.14 0.00 0.00 176.83 176.39 1rn1 h SER 14 N 0.50 0.99 -0.53 3.07 0.02 -1.99 -0.86 113.55 114.75 1rn1 h SER 14 Ca 0.34 -0.43 -0.08 0.00 -0.84 0.00 0.00 61.79 60.78 1rn1 h SER 14 Cb 0.65 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 1rn1 h SER 14 CO -0.11 1.21 0.02 0.44 -1.14 0.00 0.00 176.83 177.24 1rn1 h ASP 15 N 0.78 0.91 -0.26 3.07 3.32 -1.69 -2.29 116.42 120.27 1rn1 h ASP 15 Ca 0.08 -0.30 -0.03 0.00 0.02 0.00 0.00 57.03 56.80 1rn1 h ASP 15 Cb 0.88 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 1rn1 h ASP 15 CO 0.08 0.99 0.03 0.58 -1.72 0.00 0.00 179.24 179.20 1rn1 h VAL 16 N 0.81 1.24 -0.43 -1.35 2.07 -1.22 -2.33 116.25 115.03 1rn1 h VAL 16 Ca 0.15 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 1rn1 h VAL 16 Cb 0.51 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1rn1 h VAL 16 CO 0.02 0.26 0.01 0.77 0.02 0.00 0.00 177.57 178.65 1rn1 h SER 17 N 0.24 0.66 -0.25 0.57 4.64 -1.08 -1.17 113.55 117.14 1rn1 h SER 17 Ca 0.08 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1rn1 h SER 17 Cb 0.35 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1rn1 h SER 17 CO 0.01 0.72 0.17 0.74 -0.87 0.00 0.00 176.83 177.60 1rn1 h THR 18 N 0.66 1.07 0.23 2.95 2.02 -1.35 0.20 112.91 118.68 1rn1 h THR 18 Ca 0.13 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1rn1 h THR 18 Cb 0.40 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1rn1 h THR 18 CO 0.01 0.07 -0.11 0.00 0.37 0.00 0.00 175.52 175.86 1rn1 h ALA 19 N 1.09 -0.31 -0.51 6.16 0.00 -1.21 -2.86 119.26 121.62 1rn1 h ALA 19 Ca 0.09 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.93 1rn1 h ALA 19 Cb -0.03 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 1rn1 h ALA 19 CO -0.02 -0.55 0.11 0.37 0.00 0.00 0.00 179.25 179.16 1rn1 h GLN 20 N -0.57 0.24 -0.96 0.00 4.15 -1.13 -1.28 115.11 115.56 1rn1 h GLN 20 Ca -0.03 -0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.51 1rn1 h GLN 20 Cb 0.42 -0.05 -0.08 0.00 0.21 0.00 0.00 27.48 27.97 1rn1 h GLN 20 CO 0.05 0.16 0.61 0.00 -1.93 0.00 0.00 178.83 177.72 1rn1 h ALA 21 N 1.39 1.66 -0.11 3.38 0.00 -0.56 0.01 119.26 125.02 1rn1 h ALA 21 Ca 0.25 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 1rn1 h ALA 21 Cb 0.34 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1rn1 h ALA 21 CO -0.33 0.07 -0.43 0.00 0.00 0.00 0.00 179.25 178.57 1rn1 h ALA 22 N 1.58 0.21 -0.42 0.00 0.00 -1.08 -2.64 119.26 116.89 1rn1 h ALA 22 Ca 0.49 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1rn1 h ALA 22 Cb 0.64 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1rn1 h ALA 22 CO -0.26 0.34 0.07 0.78 0.00 0.00 0.00 179.25 180.17 1rn1 h GLY 23 N 0.09 0.76 1.60 0.00 0.00 -0.91 -2.76 103.07 101.84 1rn1 h GLY 23 Ca -0.02 -0.51 -0.12 0.00 0.00 0.00 0.00 47.33 46.68 1rn1 h GLY 23 CO 0.09 0.47 -0.39 -1.82 0.00 0.00 0.00 176.54 174.89 1rn1 h TYR 24 N 0.56 0.53 -0.48 5.60 3.20 -1.07 -2.24 116.97 123.07 1rn1 h TYR 24 Ca 0.13 -0.15 -0.06 0.00 3.14 0.00 0.00 58.73 61.79 1rn1 h TYR 24 Cb 0.38 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 1rn1 h TYR 24 CO 0.03 0.77 0.07 0.37 -1.64 0.00 0.00 178.16 177.76 1rn1 h GLN 25 N 0.38 0.81 -0.22 1.82 5.75 -1.42 -0.91 115.11 121.31 1rn1 h GLN 25 Ca 0.04 -0.22 0.02 0.00 -0.15 0.00 0.00 58.65 58.33 1rn1 h GLN 25 Cb 0.85 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.29 1rn1 h GLN 25 CO 0.07 0.82 0.09 -0.07 -2.65 0.00 0.00 178.83 177.09 1rn1 h LEU 26 N 0.68 0.12 -0.62 -2.39 4.07 -1.39 -0.45 115.31 115.34 1rn1 h LEU 26 Ca 0.15 0.02 0.08 0.00 0.08 0.00 0.00 57.88 58.20 1rn1 h LEU 26 Cb 0.41 -0.01 -0.07 0.00 1.08 0.00 0.00 40.66 42.07 1rn1 h LEU 26 CO 0.01 0.10 0.27 -0.74 -1.08 0.00 0.00 178.44 177.01 1rn1 h HIS 27 N 0.20 0.49 -0.55 1.13 -0.00 -1.26 0.37 115.15 115.54 1rn1 h HIS 27 Ca 0.09 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.44 1rn1 h HIS 27 Cb 0.04 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.30 1rn1 h HIS 27 CO -0.11 0.17 0.14 1.49 -0.00 0.00 0.00 177.93 179.62 1rn1 h GLU 28 N 0.49 0.87 -0.00 5.26 4.81 -0.37 -2.64 114.58 123.00 1rn1 h GLU 28 Ca 0.30 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1rn1 h GLU 28 Cb 0.32 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1rn1 h GLU 28 CO -0.26 0.81 -0.01 -0.25 -0.73 0.00 0.00 179.01 178.57 1rn1 n ASP 29 N -4.42 0.04 -1.91 1.04 8.00 -0.25 -4.91 116.55 114.14 1rn1 n ASP 29 Ca 0.02 -0.39 -0.13 0.00 0.71 0.00 0.00 54.79 55.00 1rn1 n ASP 29 Cb 0.22 -0.20 0.02 0.00 -0.02 0.00 0.00 41.12 41.15 1rn1 n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rn1 n GLY 30 N 1.21 -0.01 3.68 0.44 0.00 0.47 -5.04 105.19 105.95 1rn1 n GLY 30 Ca 0.17 -0.24 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 1rn1 n GLY 30 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1rn1 s GLU 31 N -5.27 2.13 -0.03 1.61 1.03 0.10 -4.99 118.70 113.29 1rn1 s GLU 31 Ca 0.19 -1.86 -0.14 0.00 0.03 0.00 0.00 54.97 53.19 1rn1 s GLU 31 Cb -0.09 -1.90 0.02 0.00 -0.80 0.00 0.00 34.13 31.37 1rn1 s GLU 31 CO 0.24 -0.02 0.31 0.95 -1.33 0.00 0.00 175.26 175.41 1rn1 s THR 32 N -2.59 0.05 -0.00 1.83 -4.23 -1.26 -4.15 115.64 105.28 1rn1 s THR 32 Ca 0.38 -0.43 0.04 0.00 -1.18 0.00 0.00 61.69 60.50 1rn1 s THR 32 Cb 0.04 -0.59 -0.03 0.00 1.34 0.00 0.00 72.50 73.25 1rn1 s THR 32 CO 0.21 -0.23 -0.09 0.68 -0.54 0.00 0.00 174.62 174.65 1rn1 s VAL 33 N -1.15 3.51 0.00 2.29 -7.23 0.50 -4.82 120.40 113.50 1rn1 s VAL 33 Ca -0.12 -0.80 0.00 0.00 -1.81 0.00 0.00 61.98 59.25 1rn1 s VAL 33 Cb -0.05 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.38 1rn1 s VAL 33 CO 0.04 0.41 0.00 0.61 -0.31 0.00 0.00 175.10 175.85 1rn1 n GLY 34 N 1.65 0.70 0.18 2.32 0.00 -1.26 0.21 105.19 108.98 1rn1 n GLY 34 Ca -0.16 -1.76 -0.05 0.00 0.00 0.00 0.00 46.02 44.05 1rn1 n GLY 34 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1rn1 h SER 35 N 0.00 0.28 0.68 1.61 0.02 -1.91 -0.52 113.55 113.71 1rn1 h SER 35 Ca 0.00 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1rn1 h SER 35 Cb 0.00 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1rn1 h SER 35 CO 0.00 0.79 0.00 0.59 -1.14 0.00 0.00 176.83 177.07 1rn1 n ASN 36 N -3.90 0.00 -2.86 3.07 5.03 -1.26 -4.95 115.26 110.38 1rn1 n ASN 36 Ca -0.02 0.28 -0.05 0.00 0.87 0.00 0.00 54.58 55.65 1rn1 n ASN 36 Cb 0.59 -0.42 0.01 0.00 -1.02 0.00 0.00 39.78 38.94 1rn1 n ASN 36 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1rn1 n SER 37 N -1.42 -7.71 -4.66 6.41 2.88 -0.20 -4.88 113.62 104.04 1rn1 n SER 37 Ca 0.08 0.94 -0.32 0.00 -1.33 0.00 0.00 58.87 58.24 1rn1 n SER 37 Cb 0.24 -4.74 -0.09 0.00 -0.75 0.00 0.00 64.21 58.87 1rn1 n SER 37 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1rn1 s TYR 38 N -1.88 3.02 0.58 0.66 2.02 0.13 -3.58 117.35 118.31 1rn1 s TYR 38 Ca 0.11 0.04 -0.16 0.00 -0.37 0.00 0.00 57.07 56.69 1rn1 s TYR 38 Cb -0.03 -1.65 -0.04 0.00 -0.40 0.00 0.00 41.96 39.85 1rn1 s TYR 38 CO 0.71 0.44 1.06 -1.25 -1.57 0.00 0.00 175.55 174.94 1rn1 s PRO 39 N -1.56 3.35 0.08 -1.71 0.04 -1.26 -0.37 135.00 133.57 1rn1 s PRO 39 Ca 0.19 1.23 0.02 0.00 0.04 0.00 0.00 61.00 62.49 1rn1 s PRO 39 Cb -0.11 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 1rn1 s PRO 39 CO 0.10 -0.79 -0.08 -3.38 0.04 0.00 0.00 177.00 172.89 1rn1 s HIS 40 N -2.39 0.87 0.37 0.56 -3.43 -1.04 -4.94 115.29 105.30 1rn1 s HIS 40 Ca 0.64 -0.71 -0.28 0.00 -0.80 0.00 0.00 55.06 53.91 1rn1 s HIS 40 Cb -0.16 -0.50 -0.11 0.00 -1.43 0.00 0.00 32.58 30.38 1rn1 s HIS 40 CO 0.35 -0.09 1.43 1.63 -2.00 0.00 0.00 174.74 176.06 1rn1 n LYS 41 N 0.59 2.50 -3.64 -0.38 5.02 -1.26 -0.01 118.16 120.97 1rn1 n LYS 41 Ca -0.17 0.88 -0.39 0.00 -2.02 0.00 0.00 58.31 56.61 1rn1 n LYS 41 Cb 0.58 -2.58 -0.11 0.00 -0.02 0.00 0.00 35.03 32.91 1rn1 n LYS 41 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1rn1 s TYR 42 N -1.12 3.32 0.15 2.13 5.04 -0.13 -4.72 117.35 122.03 1rn1 s TYR 42 Ca 0.54 -1.49 -0.16 0.00 -2.44 0.00 0.00 57.07 53.52 1rn1 s TYR 42 Cb -0.50 -2.76 0.05 0.00 0.35 0.00 0.00 41.96 39.10 1rn1 s TYR 42 CO 0.63 -0.81 1.75 -0.97 -1.34 0.00 0.00 175.55 174.82 1rn1 h ASN 43 N 8.35 0.14 -3.04 4.32 -0.73 -1.93 -3.39 115.58 119.29 1rn1 h ASN 43 Ca -0.23 0.04 0.00 0.00 1.87 0.00 0.00 56.30 57.98 1rn1 h ASN 43 Cb 1.08 0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.69 1rn1 h ASN 43 CO 0.71 0.12 0.00 -3.20 -0.37 0.00 0.00 177.43 174.69 1rn1 n ASN 44 N -5.01 -1.55 0.00 1.15 5.15 -1.26 -5.01 115.26 108.72 1rn1 n ASN 44 Ca 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.99 1rn1 n ASN 44 Cb 0.12 0.65 0.00 0.00 -0.53 0.00 0.00 39.78 40.02 1rn1 n ASN 44 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1rn1 n GLU 46 N 0.31 0.00 -3.81 1.20 4.71 -1.26 -4.55 120.64 117.25 1rn1 n GLU 46 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 56.81 1rn1 n GLU 46 Cb 0.00 -3.56 0.03 0.00 -1.01 0.00 0.00 31.44 26.91 1rn1 n GLU 46 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1rn1 n GLY 47 N -1.51 -0.87 3.81 0.62 0.00 -1.26 -4.99 105.19 101.00 1rn1 n GLY 47 Ca 0.00 0.39 -0.33 0.00 0.00 0.00 0.00 46.02 46.09 1rn1 n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rn1 s PHE 48 N -3.54 3.09 -0.21 1.61 0.08 -1.26 -5.05 117.98 112.70 1rn1 s PHE 48 Ca 0.43 1.52 -0.06 0.00 0.12 0.00 0.00 56.93 58.95 1rn1 s PHE 48 Cb -0.17 -2.98 -0.03 0.00 -0.57 0.00 0.00 43.02 39.27 1rn1 s PHE 48 CO 0.89 -0.87 0.01 -0.51 -0.10 0.00 0.00 175.22 174.65 1rn1 s ASP 49 N -2.61 4.92 0.41 1.36 1.11 -1.26 -5.08 116.67 115.52 1rn1 s ASP 49 Ca 0.64 -0.19 0.08 0.00 0.18 0.00 0.00 52.55 53.25 1rn1 s ASP 49 Cb -0.15 -1.85 -0.04 0.00 1.07 0.00 0.00 42.92 41.96 1rn1 s ASP 49 CO 0.31 0.05 0.28 -0.36 1.18 0.00 0.00 175.17 176.63 1rn1 s PHE 50 N 1.07 2.67 -0.32 4.23 0.08 -1.26 -5.02 117.98 119.44 1rn1 s PHE 50 Ca 0.03 -0.52 0.15 0.00 0.12 0.00 0.00 56.93 56.70 1rn1 s PHE 50 Cb -0.14 -2.06 0.69 0.00 -0.57 0.00 0.00 43.02 40.94 1rn1 s PHE 50 CO 0.02 0.03 1.61 0.43 -0.10 0.00 0.00 175.22 177.21 1rn1 n SER 51 N -1.40 4.91 -4.04 1.36 7.64 -1.26 -4.92 113.62 115.92 1rn1 n SER 51 Ca 0.01 -2.90 -0.15 0.00 1.01 0.00 0.00 58.87 56.84 1rn1 n SER 51 Cb 0.63 -0.61 -0.13 0.00 -1.01 0.00 0.00 64.21 63.09 1rn1 n SER 51 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1rn1 s VAL 52 N -2.67 0.57 0.63 0.44 -7.23 -1.26 -5.12 120.40 105.76 1rn1 s VAL 52 Ca 0.49 -0.78 -0.11 0.00 -1.81 0.00 0.00 61.98 59.77 1rn1 s VAL 52 Cb 0.37 -0.57 -0.03 0.00 0.56 0.00 0.00 36.38 36.71 1rn1 s VAL 52 CO 0.14 -0.17 1.03 -0.94 -0.31 0.00 0.00 175.10 174.85 1rn1 s SER 53 N -1.04 6.11 0.91 4.85 1.04 -1.26 -5.01 113.70 119.31 1rn1 s SER 53 Ca -0.04 1.34 -0.15 0.00 0.48 0.00 0.00 55.95 57.58 1rn1 s SER 53 Cb -0.07 -2.37 0.16 0.00 0.10 0.00 0.00 66.02 63.84 1rn1 s SER 53 CO 0.00 -0.93 1.28 -0.94 0.98 0.00 0.00 173.24 173.63 1rn1 s SER 54 N -4.21 3.55 0.58 7.02 1.04 -1.26 -4.66 113.70 115.76 1rn1 s SER 54 Ca 0.55 0.44 -0.19 0.00 0.48 0.00 0.00 55.95 57.23 1rn1 s SER 54 Cb -0.11 -0.62 -0.04 0.00 0.10 0.00 0.00 66.02 65.34 1rn1 s SER 54 CO 0.53 -2.48 1.18 -2.16 0.98 0.00 0.00 173.24 171.30 1rn1 s PRO 55 N -5.79 3.09 0.09 4.02 0.04 -1.26 -4.84 135.00 130.35 1rn1 s PRO 55 Ca 0.70 1.76 0.08 0.00 0.04 0.00 0.00 61.00 63.58 1rn1 s PRO 55 Cb -0.06 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 1rn1 s PRO 55 CO 0.52 -1.10 -0.14 0.71 0.04 0.00 0.00 177.00 177.03 1rn1 s TYR 56 N -1.65 2.65 0.15 0.56 2.02 -1.26 -2.99 117.35 116.83 1rn1 s TYR 56 Ca 0.76 -0.20 0.07 0.00 -0.37 0.00 0.00 57.07 57.32 1rn1 s TYR 56 Cb -0.28 -1.42 -0.04 0.00 -0.40 0.00 0.00 41.96 39.82 1rn1 s TYR 56 CO 0.31 0.38 -0.15 0.71 -1.57 0.00 0.00 175.55 175.24 1rn1 s TYR 57 N -1.13 1.54 0.04 2.71 2.02 0.19 -0.96 117.35 121.77 1rn1 s TYR 57 Ca 0.19 -0.56 0.08 0.00 -0.37 0.00 0.00 57.07 56.40 1rn1 s TYR 57 Cb -0.11 -0.77 -0.03 0.00 -0.40 0.00 0.00 41.96 40.65 1rn1 s TYR 57 CO 0.11 0.22 -0.22 -1.83 -1.57 0.00 0.00 175.55 172.26 1rn1 s GLU 58 N -3.03 1.51 -0.05 -0.62 -1.05 0.98 -1.34 118.70 115.11 1rn1 s GLU 58 Ca 0.14 -0.98 -0.03 0.00 -0.15 0.00 0.00 54.97 53.96 1rn1 s GLU 58 Cb -0.03 -1.64 0.02 0.00 -0.44 0.00 0.00 34.13 32.04 1rn1 s GLU 58 CO 0.04 0.42 0.12 -0.46 0.95 0.00 0.00 175.26 176.33 1rn1 s TRP 59 N -0.79 -0.12 0.27 4.83 -0.11 -0.42 -2.49 118.94 120.11 1rn1 s TRP 59 Ca 0.09 0.35 -0.30 0.00 1.22 0.00 0.00 56.10 57.46 1rn1 s TRP 59 Cb -0.09 -0.03 -0.10 0.00 -1.50 0.00 0.00 33.47 31.74 1rn1 s TRP 59 CO 0.02 -0.10 1.44 -2.14 -4.62 0.00 0.00 176.95 171.54 1rn1 s PRO 60 N 0.59 4.26 -0.12 5.86 0.02 -1.26 0.35 135.00 144.70 1rn1 s PRO 60 Ca -0.04 2.33 0.02 0.00 0.02 0.00 0.00 61.00 63.32 1rn1 s PRO 60 Cb -0.06 -3.09 -0.00 0.00 0.02 0.00 0.00 34.50 31.37 1rn1 s PRO 60 CO -0.03 -0.41 -0.19 -1.50 -0.33 0.00 0.00 177.00 174.54 1rn1 s ILE 61 N -0.21 2.43 -0.06 2.83 2.07 -0.49 -4.51 121.20 123.26 1rn1 s ILE 61 Ca 0.58 -0.88 -0.03 0.00 -1.41 0.00 0.00 60.65 58.91 1rn1 s ILE 61 Cb -0.42 -1.97 -0.04 0.00 0.13 0.00 0.00 42.46 40.15 1rn1 s ILE 61 CO 0.46 0.54 0.10 -0.76 -1.91 0.00 0.00 174.94 173.37 1rn1 s LEU 62 N 0.47 4.06 0.54 8.50 1.43 -1.26 -4.40 118.68 128.02 1rn1 s LEU 62 Ca -0.13 0.28 0.29 0.00 -1.03 0.00 0.00 54.13 53.53 1rn1 s LEU 62 Cb -0.17 -2.18 1.55 0.00 0.03 0.00 0.00 46.19 45.43 1rn1 s LEU 62 CO 0.06 0.33 2.12 0.77 0.23 0.00 0.00 176.35 179.86 1rn1 h SER 63 N 4.53 0.00 0.61 2.29 4.64 -1.94 -1.87 113.55 121.82 1rn1 h SER 63 Ca -0.51 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.79 1rn1 h SER 63 Cb 1.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1rn1 h SER 63 CO 0.60 0.09 -0.07 0.77 -0.87 0.00 0.00 176.83 177.35 1rn1 h SER 64 N 0.00 0.00 0.00 4.97 4.64 -2.00 -3.47 113.55 117.69 1rn1 h SER 64 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rn1 h SER 64 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1rn1 h SER 64 CO 0.01 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 1rn1 n GLY 65 N -0.38 1.18 3.79 -0.77 0.00 -0.70 -5.04 105.19 103.26 1rn1 n GLY 65 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1rn1 n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rn1 s ASP 66 N -2.83 5.88 0.04 1.61 1.01 -1.26 -4.98 116.67 116.15 1rn1 s ASP 66 Ca 0.00 2.01 -0.27 0.00 0.71 0.00 0.00 52.55 55.00 1rn1 s ASP 66 Cb 0.00 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.32 1rn1 s ASP 66 CO 0.00 -1.10 0.85 -0.69 0.21 0.00 0.00 175.17 174.44 1rn1 s VAL 67 N -2.02 4.72 0.15 -1.27 1.01 -1.26 -4.16 120.40 117.57 1rn1 s VAL 67 Ca 0.69 1.81 -0.32 0.00 0.00 0.00 0.00 61.98 64.15 1rn1 s VAL 67 Cb -0.20 -4.20 -0.12 0.00 0.00 0.00 0.00 36.38 31.86 1rn1 s VAL 67 CO 0.28 0.31 1.72 0.00 0.00 0.00 0.00 175.10 177.41 1rn1 n TYR 68 N 3.08 2.55 -1.98 5.22 9.36 -1.26 -4.87 117.16 129.26 1rn1 n TYR 68 Ca 0.00 0.05 0.04 0.00 3.32 0.00 0.00 57.90 61.31 1rn1 n TYR 68 Cb 0.50 -2.65 0.06 0.00 -0.63 0.00 0.00 39.34 36.61 1rn1 n TYR 68 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1rn1 n SER 69 N 4.45 0.91 0.00 2.98 3.41 -1.26 -5.02 113.62 119.09 1rn1 n SER 69 Ca 0.17 -2.41 0.00 0.00 -0.26 0.00 0.00 58.87 56.37 1rn1 n SER 69 Cb 0.33 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1rn1 n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rn1 n GLY 70 N -0.19 1.41 0.00 5.00 0.00 -1.26 -4.85 105.19 105.29 1rn1 n GLY 70 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1rn1 n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rn1 n GLY 71 N 0.00 0.99 3.71 -0.02 0.00 -1.26 -4.35 105.19 104.26 1rn1 n GLY 71 Ca 0.00 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 1rn1 n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rn1 s SER 72 N -1.00 7.23 0.35 1.61 1.04 -1.26 -4.90 113.70 116.78 1rn1 s SER 72 Ca 0.00 1.81 0.27 0.00 0.48 0.00 0.00 55.95 58.51 1rn1 s SER 72 Cb 0.00 -2.57 0.95 0.00 0.10 0.00 0.00 66.02 64.50 1rn1 s SER 72 CO 0.00 -0.36 1.78 1.55 0.98 0.00 0.00 173.24 177.19 1rn1 h PRO 73 N 6.83 0.00 0.00 4.02 0.13 -1.98 -3.50 132.00 137.50 1rn1 h PRO 73 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1rn1 h PRO 73 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1rn1 h PRO 73 CO 0.78 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.96 1rn1 n GLY 74 N 0.46 -0.87 0.00 1.56 0.00 -1.26 -4.48 105.19 100.60 1rn1 n GLY 74 Ca 0.03 -1.18 0.07 0.00 0.00 0.00 0.00 46.02 44.94 1rn1 n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rn1 n ALA 75 N 2.72 3.18 -2.65 4.61 0.00 -1.26 -4.99 120.51 122.11 1rn1 n ALA 75 Ca 0.00 -0.39 -0.38 0.00 0.00 0.00 0.00 53.44 52.68 1rn1 n ALA 75 Cb 0.00 -0.53 -0.06 0.00 0.00 0.00 0.00 19.45 18.86 1rn1 n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rn1 s ASP 76 N -3.15 6.63 0.01 0.00 1.01 -1.26 -0.62 116.67 119.29 1rn1 s ASP 76 Ca -0.01 0.75 0.02 0.00 0.71 0.00 0.00 52.55 54.03 1rn1 s ASP 76 Cb 0.10 -2.18 -0.01 0.00 1.01 0.00 0.00 42.92 41.84 1rn1 s ASP 76 CO 0.62 0.33 -0.07 -0.13 0.21 0.00 0.00 175.17 176.14 1rn1 s ARG 77 N -0.92 0.50 -0.07 8.23 1.81 0.24 -1.40 118.95 127.33 1rn1 s ARG 77 Ca 0.20 -0.42 -0.13 0.00 -1.72 0.00 0.00 55.73 53.66 1rn1 s ARG 77 Cb -0.15 -0.41 -0.05 0.00 -0.45 0.00 0.00 34.95 33.90 1rn1 s ARG 77 CO 0.09 0.10 0.33 0.14 -0.68 0.00 0.00 175.30 175.28 1rn1 s VAL 78 N -0.61 5.20 -0.18 3.52 -7.23 0.16 -0.80 120.40 120.45 1rn1 s VAL 78 Ca -0.02 0.65 -0.03 0.00 -1.81 0.00 0.00 61.98 60.77 1rn1 s VAL 78 Cb -0.05 -3.64 -0.02 0.00 0.56 0.00 0.00 36.38 33.24 1rn1 s VAL 78 CO 0.00 0.53 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.58 1rn1 s VAL 79 N -0.62 3.53 0.20 1.32 1.01 0.04 -1.30 120.40 124.57 1rn1 s VAL 79 Ca 0.20 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.76 1rn1 s VAL 79 Cb -0.15 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 1rn1 s VAL 79 CO 0.09 0.46 -0.03 0.72 0.00 0.00 0.00 175.10 176.34 1rn1 s PHE 80 N 0.92 1.43 0.56 5.22 -0.12 -0.45 -0.76 117.98 124.78 1rn1 s PHE 80 Ca -0.01 -0.90 0.07 0.00 -0.05 0.00 0.00 56.93 56.05 1rn1 s PHE 80 Cb -0.15 -0.80 0.07 0.00 -0.63 0.00 0.00 43.02 41.51 1rn1 s PHE 80 CO 0.01 -0.04 0.59 0.27 -0.05 0.00 0.00 175.22 176.01 1rn1 n ASN 81 N -0.33 2.42 0.26 1.98 6.94 -0.52 0.55 115.26 126.55 1rn1 n ASN 81 Ca -0.07 -2.70 0.12 0.00 -0.02 0.00 0.00 54.58 51.91 1rn1 n ASN 81 Cb 0.63 -0.23 0.72 0.00 -2.36 0.00 0.00 39.78 38.55 1rn1 n ASN 81 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1rn1 h GLU 82 N 0.00 0.00 -0.33 -3.83 4.57 -1.80 -2.35 114.58 110.83 1rn1 h GLU 82 Ca -0.31 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.87 1rn1 h GLU 82 Cb 1.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 1rn1 h GLU 82 CO 0.46 0.10 0.00 0.09 -1.18 0.00 0.00 179.01 178.48 1rn1 n ASN 83 N -3.87 1.36 -2.96 1.04 5.03 -1.26 -4.91 115.26 109.69 1rn1 n ASN 83 Ca -0.02 -2.05 -0.18 0.00 0.87 0.00 0.00 54.58 53.20 1rn1 n ASN 83 Cb 0.19 -0.22 0.07 0.00 -1.02 0.00 0.00 39.78 38.80 1rn1 n ASN 83 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1rn1 n ASN 84 N 0.14 -4.74 -4.25 6.41 4.05 -0.88 -5.02 115.26 110.96 1rn1 n ASN 84 Ca 0.07 -0.44 -0.29 0.00 0.45 0.00 0.00 54.58 54.37 1rn1 n ASN 84 Cb 0.24 -4.13 -0.16 0.00 1.23 0.00 0.00 39.78 36.96 1rn1 n ASN 84 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1rn1 s GLN 85 N -5.84 1.95 0.05 1.20 -0.21 -1.26 -4.93 119.66 110.63 1rn1 s GLN 85 Ca 0.37 -0.82 -0.31 0.00 0.02 0.00 0.00 55.36 54.62 1rn1 s GLN 85 Cb -0.16 -1.84 -0.07 0.00 1.00 0.00 0.00 33.01 31.94 1rn1 s GLN 85 CO 0.58 0.47 1.43 -1.17 -2.12 0.00 0.00 175.29 174.48 1rn1 s LEU 86 N -0.46 4.34 -0.21 2.90 2.96 -1.26 -1.44 118.68 125.51 1rn1 s LEU 86 Ca 0.07 2.25 -0.17 0.00 -0.22 0.00 0.00 54.13 56.06 1rn1 s LEU 86 Cb -0.10 -3.57 -0.19 0.00 0.50 0.00 0.00 46.19 42.83 1rn1 s LEU 86 CO -0.00 -0.72 0.12 0.00 -1.32 0.00 0.00 176.35 174.43 1rn1 n ALA 87 N 4.87 0.90 0.00 5.97 0.00 0.06 -4.82 120.51 127.49 1rn1 n ALA 87 Ca 0.13 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1rn1 n ALA 87 Cb 0.43 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.43 1rn1 n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rn1 n GLY 88 N 1.54 -1.36 3.11 0.00 0.00 -1.05 -4.67 105.19 102.75 1rn1 n GLY 88 Ca -0.37 -0.97 -0.28 0.00 0.00 0.00 0.00 46.02 44.40 1rn1 n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rn1 s VAL 89 N -2.81 1.56 0.20 1.61 1.01 -1.26 -0.78 120.40 119.92 1rn1 s VAL 89 Ca 0.00 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.30 1rn1 s VAL 89 Cb 0.00 -1.38 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 1rn1 s VAL 89 CO 0.00 0.45 -0.06 0.27 0.00 0.00 0.00 175.10 175.76 1rn1 s ILE 90 N 0.51 1.20 0.00 2.22 -4.36 0.02 -1.26 121.20 119.54 1rn1 s ILE 90 Ca -0.17 -2.07 -0.05 0.00 -0.26 0.00 0.00 60.65 58.10 1rn1 s ILE 90 Cb -0.17 -2.11 -0.00 0.00 1.25 0.00 0.00 42.46 41.43 1rn1 s ILE 90 CO 0.06 -0.53 0.10 0.28 0.24 0.00 0.00 174.94 175.09 1rn1 s THR 91 N -3.31 0.08 -0.83 8.37 -1.32 0.01 -0.60 115.64 118.05 1rn1 s THR 91 Ca 0.23 -0.70 0.26 0.00 -1.21 0.00 0.00 61.69 60.27 1rn1 s THR 91 Cb 0.04 -0.38 0.18 0.00 -1.51 0.00 0.00 72.50 70.82 1rn1 s THR 91 CO 0.05 -0.39 1.66 1.41 -2.21 0.00 0.00 174.62 175.15 1rn1 n HIS 92 N 1.57 0.45 -1.89 9.09 8.25 0.21 -0.93 115.22 131.96 1rn1 n HIS 92 Ca -0.22 0.13 -0.43 0.00 -0.26 0.00 0.00 57.72 56.94 1rn1 n HIS 92 Cb 0.56 -0.65 -0.03 0.00 1.12 0.00 0.00 29.99 30.99 1rn1 n HIS 92 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1rn1 s THR 93 N -3.07 3.37 0.00 1.59 2.01 -1.26 -1.53 115.64 116.75 1rn1 s THR 93 Ca 0.11 0.40 0.00 0.00 0.31 0.00 0.00 61.69 62.51 1rn1 s THR 93 Cb 0.15 -3.41 0.00 0.00 0.01 0.00 0.00 72.50 69.25 1rn1 s THR 93 CO 0.62 -0.21 0.00 0.61 -0.69 0.00 0.00 174.62 174.96 1rn1 n GLY 94 N 5.12 0.67 3.96 4.40 0.00 -1.26 -4.72 105.19 113.36 1rn1 n GLY 94 Ca 0.23 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 1rn1 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rn1 s ALA 95 N -2.41 3.89 0.22 4.61 0.00 -0.58 -4.93 121.76 122.56 1rn1 s ALA 95 Ca 0.00 -1.15 0.06 0.00 0.00 0.00 0.00 51.96 50.86 1rn1 s ALA 95 Cb 0.00 -1.86 -0.04 0.00 0.00 0.00 0.00 23.12 21.22 1rn1 s ALA 95 CO 0.00 0.09 0.23 -1.54 0.00 0.00 0.00 175.76 174.53 1rn1 s SER 96 N -4.04 5.78 0.72 0.00 1.04 -1.26 -4.90 113.70 111.04 1rn1 s SER 96 Ca 0.38 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.70 1rn1 s SER 96 Cb -0.09 -1.56 0.00 0.00 0.10 0.00 0.00 66.02 64.46 1rn1 s SER 96 CO 0.32 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.14 1rn1 n GLY 97 N -0.96 2.23 0.01 7.32 0.00 -1.26 -1.09 105.19 111.45 1rn1 n GLY 97 Ca -0.08 -0.39 0.16 0.00 0.00 0.00 0.00 46.02 45.71 1rn1 n GLY 97 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1rn1 n ASN 98 N -0.47 0.05 -4.58 1.61 2.04 -1.26 -4.92 115.26 107.72 1rn1 n ASN 98 Ca 0.00 -1.04 -0.29 0.00 -0.44 0.00 0.00 54.58 52.81 1rn1 n ASN 98 Cb 0.00 -0.00 0.21 0.00 -2.53 0.00 0.00 39.78 37.46 1rn1 n ASN 98 CO 0.00 0.00 0.00 0.20 -0.44 0.00 0.00 177.26 177.02 1rn1 s ASN 99 N -1.97 1.84 0.19 0.53 0.01 -0.25 -5.05 114.94 110.24 1rn1 s ASN 99 Ca 0.46 1.53 0.05 0.00 -0.71 0.00 0.00 52.86 54.19 1rn1 s ASN 99 Cb 0.21 -2.23 -0.05 0.00 0.41 0.00 0.00 41.25 39.60 1rn1 s ASN 99 CO 0.36 -3.67 -0.07 -0.36 -1.51 0.00 0.00 177.10 171.85 1rn1 s PHE 100 N -2.65 1.46 0.14 2.20 0.08 -1.26 -4.44 117.98 113.52 1rn1 s PHE 100 Ca 0.67 -0.79 0.06 0.00 0.12 0.00 0.00 56.93 56.99 1rn1 s PHE 100 Cb -0.22 -0.78 -0.04 0.00 -0.57 0.00 0.00 43.02 41.40 1rn1 s PHE 100 CO 0.61 0.08 -0.13 0.14 -0.10 0.00 0.00 175.22 175.82 1rn1 s VAL 101 N -3.30 1.38 0.44 -0.44 -7.23 -0.11 -4.90 120.40 106.24 1rn1 s VAL 101 Ca 0.22 -1.88 -0.21 0.00 -1.81 0.00 0.00 61.98 58.30 1rn1 s VAL 101 Cb 0.03 -1.70 -0.11 0.00 0.56 0.00 0.00 36.38 35.17 1rn1 s VAL 101 CO 0.05 -0.51 0.96 -1.61 -0.31 0.00 0.00 175.10 173.68 1rn1 s GLU 102 N -3.07 4.16 0.58 4.82 2.02 -1.26 -0.81 118.70 125.14 1rn1 s GLU 102 Ca 0.13 1.16 -0.15 0.00 0.02 0.00 0.00 54.97 56.13 1rn1 s GLU 102 Cb -0.03 -2.17 -0.05 0.00 0.10 0.00 0.00 34.13 31.99 1rn1 s GLU 102 CO 0.03 -0.10 1.03 0.00 0.02 0.00 0.00 175.26 176.25