#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upn s ALA 3 N 0.00 4.31 -0.04 4.61 0.00 -1.26 -4.83 121.76 124.55 1upn s ALA 3 Ca 0.00 -1.61 0.05 0.00 0.00 0.00 0.00 51.96 50.41 1upn s ALA 3 Cb 0.00 -1.55 -0.01 0.00 0.00 0.00 0.00 23.12 21.56 1upn s ALA 3 CO 0.00 -0.15 -0.20 1.14 0.00 0.00 0.00 175.76 176.54 1upn s GLN 4 N -4.23 1.96 -0.11 0.00 -2.07 -0.62 -4.99 119.66 109.60 1upn s GLN 4 Ca 0.49 -0.73 0.03 0.00 -1.82 0.00 0.00 55.36 53.33 1upn s GLN 4 Cb -0.09 -1.74 -0.00 0.00 -1.09 0.00 0.00 33.01 30.09 1upn s GLN 4 CO 0.31 0.34 -0.21 0.08 -1.32 0.00 0.00 175.29 174.50 1upn s VAL 5 N -0.18 2.34 0.23 3.63 1.01 -1.26 -0.71 120.40 125.47 1upn s VAL 5 Ca -0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 1upn s VAL 5 Cb -0.11 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 1upn s VAL 5 CO 0.02 0.55 0.25 -0.94 0.00 0.00 0.00 175.10 174.98 1upn s SER 6 N 0.41 0.30 0.46 3.32 1.04 -1.06 -5.02 113.70 113.16 1upn s SER 6 Ca -0.15 -1.33 -0.14 0.00 0.48 0.00 0.00 55.95 54.82 1upn s SER 6 Cb -0.17 0.47 -0.07 0.00 0.10 0.00 0.00 66.02 66.35 1upn s SER 6 CO 0.07 -0.97 0.88 0.42 0.98 0.00 0.00 173.24 174.62 1upn s THR 7 N -3.97 4.66 0.48 2.02 -4.23 -1.26 -1.74 115.64 111.60 1upn s THR 7 Ca 0.35 0.92 -0.05 0.00 -1.18 0.00 0.00 61.69 61.73 1upn s THR 7 Cb 0.04 -3.73 -0.04 0.00 1.34 0.00 0.00 72.50 70.12 1upn s THR 7 CO 0.13 -0.61 0.79 -1.10 -0.54 0.00 0.00 174.62 173.29 1upn s GLN 8 N -3.98 3.53 0.11 3.99 -0.21 -0.59 -4.79 119.66 117.72 1upn s GLN 8 Ca 0.55 0.19 -0.30 0.00 0.02 0.00 0.00 55.36 55.82 1upn s GLN 8 Cb -0.10 -2.38 -0.07 0.00 1.00 0.00 0.00 33.01 31.47 1upn s GLN 8 CO 0.32 -0.21 1.22 0.21 -2.12 0.00 0.00 175.29 174.70 1upn s LYS 9 N -4.74 4.44 0.19 2.91 2.47 -1.26 -4.93 119.74 118.82 1upn s LYS 9 Ca 0.47 1.84 -0.30 0.00 -1.56 0.00 0.00 55.97 56.42 1upn s LYS 9 Cb -0.10 -3.30 -0.09 0.00 -1.46 0.00 0.00 37.83 32.88 1upn s LYS 9 CO 0.45 -0.21 1.35 -0.08 0.16 0.00 0.00 175.35 177.02 1upn s THR 10 N 0.68 3.13 0.00 3.43 -1.32 -1.26 -5.04 115.64 115.25 1upn s THR 10 Ca 0.57 0.90 0.00 0.00 -1.21 0.00 0.00 61.69 61.95 1upn s THR 10 Cb -0.31 -3.58 0.00 0.00 -1.51 0.00 0.00 72.50 67.10 1upn s THR 10 CO 0.32 0.12 0.00 0.61 -2.21 0.00 0.00 174.62 173.46 1upn n GLY 11 N 2.60 4.64 0.06 6.08 0.00 -1.26 -4.98 105.19 112.33 1upn n GLY 11 Ca 0.07 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.95 1upn n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upn n ALA 12 N -3.00 0.00 -3.64 4.61 0.00 -1.26 -4.69 120.51 112.54 1upn n ALA 12 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1upn n ALA 12 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1upn n ALA 12 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1upn s HIS 13 N 0.00 -0.54 0.00 0.00 5.65 -1.26 -5.38 115.29 113.77 1upn s HIS 13 Ca 0.00 1.27 0.00 0.00 0.25 0.00 0.00 55.06 56.58 1upn s HIS 13 Cb 0.00 0.36 0.00 0.00 -1.18 0.00 0.00 32.58 31.76 1upn s HIS 13 CO 0.00 -0.26 0.17 0.39 -0.65 0.00 0.00 174.74 174.39 1upn n GLU 14 N 2.48 0.14 0.00 2.88 -0.58 -1.26 -5.09 120.64 119.21 1upn n GLU 14 Ca -0.13 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.61 1upn n GLU 14 Cb 0.56 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 30.00 1upn n GLU 14 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1upn n SER 23 N 1.10 0.00 -1.11 1.62 3.41 -1.26 -5.17 113.62 112.21 1upn n SER 23 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.68 1upn n SER 23 Cb 0.07 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.27 1upn n SER 23 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1upn n ILE 24 N 0.00 1.05 -1.24 -1.33 5.41 -1.26 -4.08 119.36 117.91 1upn n ILE 24 Ca 0.00 -0.78 -0.31 0.00 1.00 0.00 0.00 62.75 62.66 1upn n ILE 24 Cb 0.00 0.15 0.08 0.00 -0.71 0.00 0.00 39.64 39.17 1upn n ILE 24 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1upn n ILE 25 N 0.86 3.45 -3.95 1.39 -5.35 -1.26 -4.93 119.36 109.57 1upn n ILE 25 Ca 0.18 -2.62 -0.09 0.00 -0.27 0.00 0.00 62.75 59.94 1upn n ILE 25 Cb 0.58 -1.11 -0.07 0.00 -1.74 0.00 0.00 39.64 37.30 1upn n ILE 25 CO 0.00 0.00 0.00 -1.38 -1.76 0.00 0.00 176.55 173.41 1upn s HIS 26 N -3.47 0.38 0.23 4.28 -3.43 -1.26 -1.55 115.29 110.47 1upn s HIS 26 Ca 0.59 -0.74 0.06 0.00 -0.80 0.00 0.00 55.06 54.17 1upn s HIS 26 Cb 0.47 -0.05 -0.05 0.00 -1.43 0.00 0.00 32.58 31.52 1upn s HIS 26 CO 0.00 -0.71 -0.07 1.52 -2.00 0.00 0.00 174.74 173.48 1upn s TYR 27 N -3.96 1.68 0.10 0.38 -0.85 -0.71 -4.86 117.35 109.14 1upn s TYR 27 Ca 0.16 -0.74 0.10 0.00 -0.52 0.00 0.00 57.07 56.08 1upn s TYR 27 Cb 0.03 -0.91 -0.04 0.00 0.38 0.00 0.00 41.96 41.43 1upn s TYR 27 CO -0.01 0.18 -0.24 0.95 -1.52 0.00 0.00 175.55 174.92 1upn s THR 28 N -3.16 2.41 0.02 -3.49 -4.23 -1.26 -2.57 115.64 103.35 1upn s THR 28 Ca 0.25 -1.59 0.01 0.00 -1.18 0.00 0.00 61.69 59.19 1upn s THR 28 Cb 0.03 -2.05 -0.01 0.00 1.34 0.00 0.00 72.50 71.81 1upn s THR 28 CO 0.08 0.16 -0.04 0.21 -0.54 0.00 0.00 174.62 174.49 1upn s ASN 29 N -1.88 0.47 -0.02 3.99 3.84 0.11 -5.00 114.94 116.45 1upn s ASN 29 Ca 0.14 -0.31 0.02 0.00 0.21 0.00 0.00 52.86 52.93 1upn s ASN 29 Cb -0.10 0.02 0.00 0.00 -0.55 0.00 0.00 41.25 40.62 1upn s ASN 29 CO 0.06 -0.12 -0.07 -0.63 -2.79 0.00 0.00 177.10 173.55 1upn s ILE 30 N -0.80 0.61 -0.14 -5.21 1.01 -1.26 -1.59 121.20 113.82 1upn s ILE 30 Ca -0.06 -0.27 -0.18 0.00 0.00 0.00 0.00 60.65 60.13 1upn s ILE 30 Cb -0.06 -0.55 -0.04 0.00 0.01 0.00 0.00 42.46 41.82 1upn s ILE 30 CO -0.00 0.20 0.48 0.20 0.00 0.00 0.00 174.94 175.81 1upn s ASN 31 N 0.17 6.63 0.00 3.58 0.01 -1.26 -4.97 114.94 119.11 1upn s ASN 31 Ca -0.02 0.76 0.18 0.00 -0.71 0.00 0.00 52.86 53.07 1upn s ASN 31 Cb -0.07 -2.28 -0.05 0.00 0.41 0.00 0.00 41.25 39.26 1upn s ASN 31 CO 0.00 -0.04 0.91 -1.22 -1.51 0.00 0.00 177.10 175.24 1upn n TYR 32 N 3.96 0.00 -4.20 2.20 4.01 -1.26 -5.01 117.16 116.87 1upn n TYR 32 Ca -0.07 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.43 1upn n TYR 32 Cb 0.51 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.48 1upn n TYR 32 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1upn s TYR 33 N -2.25 2.90 -1.12 -0.72 2.02 -1.26 -5.04 117.35 111.88 1upn s TYR 33 Ca 0.14 -0.14 0.28 0.00 -0.37 0.00 0.00 57.07 56.97 1upn s TYR 33 Cb 0.15 -1.34 1.09 0.00 -0.40 0.00 0.00 41.96 41.46 1upn s TYR 33 CO 0.53 0.55 1.81 1.63 -1.57 0.00 0.00 175.55 178.50 1upn n LYS 34 N -0.65 0.12 -5.01 -0.62 5.02 -1.26 -4.83 118.16 110.94 1upn n LYS 34 Ca -0.08 -0.03 -0.32 0.00 -2.02 0.00 0.00 58.31 55.86 1upn n LYS 34 Cb 0.57 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.93 1upn n LYS 34 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1upn s ASP 35 N -2.90 3.68 0.57 4.39 1.01 -1.26 -5.01 116.67 117.14 1upn s ASP 35 Ca 0.16 -0.33 0.25 0.00 0.71 0.00 0.00 52.55 53.35 1upn s ASP 35 Cb 0.19 -0.94 1.62 0.00 1.01 0.00 0.00 42.92 44.80 1upn s ASP 35 CO 0.56 0.28 2.20 0.00 0.21 0.00 0.00 175.17 178.42 1upn h ALA 36 N 5.81 1.74 -0.05 5.23 0.00 -2.00 -0.95 119.26 129.04 1upn h ALA 36 Ca -0.38 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.53 1upn h ALA 36 Cb 1.17 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1upn h ALA 36 CO 0.50 -0.06 0.03 0.00 0.00 0.00 0.00 179.25 179.72 1upn h ALA 37 N 1.96 2.00 0.00 0.00 0.00 -1.98 -0.78 119.26 120.46 1upn h ALA 37 Ca 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1upn h ALA 37 Cb 0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1upn h ALA 37 CO -0.00 -0.00 -0.02 0.77 0.00 0.00 0.00 179.25 180.00 1upn h SER 38 N 0.04 0.00 -4.02 0.00 0.02 -1.56 -3.45 113.55 104.58 1upn h SER 38 Ca 0.02 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.47 1upn h SER 38 Cb 0.03 0.00 0.19 0.00 0.14 0.00 0.00 62.40 62.76 1upn h SER 38 CO -0.00 0.02 0.18 0.20 -1.14 0.00 0.00 176.83 176.09 1upn s ASN 39 N -5.77 2.65 0.99 3.07 0.01 -0.30 -5.02 114.94 110.58 1upn s ASN 39 Ca 0.01 1.93 -0.14 0.00 -0.71 0.00 0.00 52.86 53.95 1upn s ASN 39 Cb 0.09 -2.47 0.18 0.00 0.41 0.00 0.00 41.25 39.47 1upn s ASN 39 CO 0.56 -3.23 1.16 -0.94 -1.51 0.00 0.00 177.10 173.15 1upn s SER 40 N -2.78 2.82 0.71 -1.22 1.04 -1.26 -5.03 113.70 107.98 1upn s SER 40 Ca 0.66 0.77 -0.12 0.00 0.48 0.00 0.00 55.95 57.74 1upn s SER 40 Cb -0.22 -1.18 0.02 0.00 0.10 0.00 0.00 66.02 64.74 1upn s SER 40 CO 0.59 -2.96 1.09 0.00 0.98 0.00 0.00 173.24 172.94 1upn s ALA 41 N -3.32 2.45 -1.18 5.32 0.00 -1.26 -4.95 121.76 118.82 1upn s ALA 41 Ca 0.67 0.32 -0.08 0.00 0.00 0.00 0.00 51.96 52.87 1upn s ALA 41 Cb -0.12 -3.26 0.23 0.00 0.00 0.00 0.00 23.12 19.97 1upn s ALA 41 CO 0.54 -1.43 1.55 0.09 0.00 0.00 0.00 175.76 176.52 1upn n ASN 42 N -2.98 5.62 -0.12 0.00 3.02 -1.26 -4.75 115.26 114.79 1upn n ASN 42 Ca 0.09 -3.17 0.15 0.00 -0.03 0.00 0.00 54.58 51.61 1upn n ASN 42 Cb 0.53 -1.41 0.73 0.00 -0.61 0.00 0.00 39.78 39.01 1upn n ASN 42 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1upn n ARG 43 N 3.16 0.89 -0.01 3.52 1.74 -1.26 -3.69 116.66 121.01 1upn n ARG 43 Ca 0.32 -0.23 0.08 0.00 -0.77 0.00 0.00 57.85 57.25 1upn n ARG 43 Cb 0.37 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.39 1upn n ARG 43 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1upn n GLN 44 N -0.85 1.42 -2.89 5.56 6.02 -1.26 -4.90 117.38 120.47 1upn n GLN 44 Ca 0.18 -1.55 -0.42 0.00 -0.01 0.00 0.00 57.00 55.20 1upn n GLN 44 Cb 0.23 -1.33 -0.04 0.00 1.02 0.00 0.00 30.24 30.12 1upn n GLN 44 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1upn s ASP 45 N -1.38 6.78 -0.51 1.08 2.15 -1.24 -4.99 116.67 118.57 1upn s ASP 45 Ca 0.20 0.92 0.07 0.00 0.43 0.00 0.00 52.55 54.17 1upn s ASP 45 Cb 0.14 -2.43 0.36 0.00 -0.30 0.00 0.00 42.92 40.69 1upn s ASP 45 CO 0.21 -0.57 0.93 0.49 -0.17 0.00 0.00 175.17 176.06 1upn n PHE 46 N 6.11 3.08 -1.69 -5.34 3.72 -1.26 -5.09 117.46 116.99 1upn n PHE 46 Ca 0.05 -3.79 -0.24 0.00 -0.05 0.00 0.00 57.45 53.42 1upn n PHE 46 Cb 0.48 -0.42 0.17 0.00 -0.94 0.00 0.00 39.48 38.77 1upn n PHE 46 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1upn n THR 47 N -0.17 0.00 -3.64 4.37 -1.04 -1.26 -5.11 114.28 107.43 1upn n THR 47 Ca 0.30 -0.77 -0.04 0.00 -2.04 0.00 0.00 64.05 61.50 1upn n THR 47 Cb 0.50 -1.57 -0.07 0.00 -1.82 0.00 0.00 70.33 67.37 1upn n THR 47 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1upn s GLN 48 N -5.34 0.18 -0.47 -2.82 0.74 -1.26 -5.11 119.66 105.58 1upn s GLN 48 Ca 0.61 0.19 0.06 0.00 0.05 0.00 0.00 55.36 56.28 1upn s GLN 48 Cb -0.02 0.09 0.22 0.00 1.10 0.00 0.00 33.01 34.40 1upn s GLN 48 CO 0.43 -0.02 0.71 -3.47 -0.55 0.00 0.00 175.29 172.38 1upn n ASP 49 N 1.64 -2.14 -0.16 6.67 -0.08 -1.26 -5.00 116.55 116.23 1upn n ASP 49 Ca -0.10 -2.97 0.08 0.00 -1.51 0.00 0.00 54.79 50.29 1upn n ASP 49 Cb 0.57 1.03 0.39 0.00 2.34 0.00 0.00 41.12 45.44 1upn n ASP 49 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1upn h PRO 50 N 4.46 0.64 -0.87 -0.67 0.11 -1.99 -3.17 132.00 130.51 1upn h PRO 50 Ca 0.00 -0.04 0.25 0.00 0.11 0.00 0.00 66.00 66.32 1upn h PRO 50 Cb 1.01 -0.15 -0.16 0.00 0.11 0.00 0.00 31.00 31.81 1upn h PRO 50 CO 0.28 0.43 0.05 0.41 -0.21 0.00 0.00 178.00 178.95 1upn n GLY 51 N -1.46 -1.15 0.40 -0.55 0.00 -1.26 -0.50 105.19 100.66 1upn n GLY 51 Ca 0.10 0.85 0.29 0.00 0.00 0.00 0.00 46.02 47.26 1upn n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1upn h LYS 52 N 0.00 0.23 0.00 1.61 1.57 -1.89 -3.13 116.57 114.96 1upn h LYS 52 Ca 0.54 -0.01 -0.32 0.00 -1.87 0.00 0.00 60.65 58.99 1upn h LYS 52 Cb 1.15 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.35 1upn h LYS 52 CO -0.81 0.15 -2.11 1.19 -0.57 0.00 0.00 179.45 177.30 1upn n PHE 53 N -4.80 0.00 -2.90 -1.35 3.72 0.34 -4.39 117.46 108.08 1upn n PHE 53 Ca 0.32 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.29 1upn n PHE 53 Cb 1.14 -0.73 0.01 0.00 -0.94 0.00 0.00 39.48 38.96 1upn n PHE 53 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1upn n THR 54 N -3.55 4.85 0.00 4.37 -2.24 -0.55 -4.32 114.28 112.84 1upn n THR 54 Ca -0.37 -5.34 0.00 0.00 -2.27 0.00 0.00 64.05 56.07 1upn n THR 54 Cb 0.81 -2.28 0.00 0.00 -2.10 0.00 0.00 70.33 66.77 1upn n THR 54 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1upn n GLU 55 N 2.62 0.00 -0.82 -0.78 2.13 -1.24 -4.57 120.64 117.98 1upn n GLU 55 Ca 0.30 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 58.02 1upn n GLU 55 Cb 0.36 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.04 1upn n GLU 55 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1upn n PRO 56 N 0.00 1.59 -3.85 5.31 -0.04 -1.24 -4.89 135.00 131.88 1upn n PRO 56 Ca 0.00 -0.89 -0.35 0.00 -0.04 0.00 0.00 63.50 62.22 1upn n PRO 56 Cb 0.00 -1.51 -0.08 0.00 -0.04 0.00 0.00 33.50 31.87 1upn n PRO 56 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1upn s VAL 57 N -0.65 5.18 0.52 0.52 -7.23 -1.26 -5.09 120.40 112.39 1upn s VAL 57 Ca 0.29 0.10 -0.16 0.00 -1.81 0.00 0.00 61.98 60.40 1upn s VAL 57 Cb 0.18 -3.34 -0.08 0.00 0.56 0.00 0.00 36.38 33.70 1upn s VAL 57 CO -0.03 0.47 0.99 -1.59 -0.31 0.00 0.00 175.10 174.63 1upn s LYS 58 N 0.22 3.92 -0.02 4.82 -2.85 -1.26 -4.51 119.74 120.06 1upn s LYS 58 Ca 0.07 0.94 -0.00 0.00 -1.00 0.00 0.00 55.97 55.98 1upn s LYS 58 Cb -0.12 -2.13 0.00 0.00 -2.06 0.00 0.00 37.83 33.52 1upn s LYS 58 CO -0.01 -0.30 0.00 -0.25 0.10 0.00 0.00 175.35 174.90 1upn n ASP 59 N -1.66 -2.34 -4.66 0.03 9.92 -1.26 -4.94 116.55 111.64 1upn n ASP 59 Ca 0.07 0.09 -0.49 0.00 -0.53 0.00 0.00 54.79 53.93 1upn n ASP 59 Cb 0.54 -1.27 -0.05 0.00 -0.64 0.00 0.00 41.12 39.70 1upn n ASP 59 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1upn n ILE 60 N 0.05 0.52 -2.93 0.53 5.41 -1.26 -4.95 119.36 116.73 1upn n ILE 60 Ca -0.00 -0.14 -0.43 0.00 1.00 0.00 0.00 62.75 63.18 1upn n ILE 60 Cb 0.00 -1.86 -0.05 0.00 -0.71 0.00 0.00 39.64 37.03 1upn n ILE 60 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 1upn s MET 61 N 4.39 3.23 0.58 0.38 -1.94 -1.26 -4.91 119.30 119.77 1upn s MET 61 Ca 0.95 -0.56 0.37 0.00 -1.71 0.00 0.00 55.69 54.74 1upn s MET 61 Cb -0.71 -4.10 1.66 0.00 2.01 0.00 0.00 34.83 33.69 1upn s MET 61 CO 0.52 -1.48 2.09 0.28 -0.01 0.00 0.00 175.02 176.42 1upn h VAL 62 N 5.97 0.03 -2.48 -6.03 2.07 -1.94 -3.48 116.25 110.38 1upn h VAL 62 Ca -0.27 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 1upn h VAL 62 Cb 1.08 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1upn h VAL 62 CO 1.08 0.01 -0.25 0.29 0.02 0.00 0.00 177.57 178.71 1upn n LYS 63 N -3.11 -0.17 0.00 1.57 4.76 -1.26 -4.56 118.16 115.39 1upn n LYS 63 Ca -0.00 0.22 0.00 0.00 -2.87 0.00 0.00 58.31 55.66 1upn n LYS 63 Cb 0.24 -0.29 0.00 0.00 -1.84 0.00 0.00 35.03 33.14 1upn n LYS 63 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1upn n SER 64 N 1.24 0.00 -4.86 4.39 3.41 -1.26 -5.12 113.62 111.42 1upn n SER 64 Ca -0.01 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.39 1upn n SER 64 Cb 0.13 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 1upn n SER 64 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1upn s LEU 65 N 0.00 3.50 0.25 1.04 1.02 -1.26 -5.07 118.68 118.15 1upn s LEU 65 Ca 0.00 -0.61 -0.03 0.00 0.02 0.00 0.00 54.13 53.50 1upn s LEU 65 Cb 0.00 -2.14 0.46 0.00 0.02 0.00 0.00 46.19 44.54 1upn s LEU 65 CO 0.00 -0.49 1.77 -0.65 0.02 0.00 0.00 176.35 176.99 1upn h PRO 66 N 1.15 0.60 0.00 1.29 0.11 -2.00 -3.47 132.00 129.68 1upn h PRO 66 Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1upn h PRO 66 Cb 1.26 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1upn h PRO 66 CO 0.58 0.40 0.00 0.00 -0.21 0.00 0.00 178.00 178.76 1upn n ALA 67 N -2.43 0.00 -2.50 -0.75 0.00 -1.26 -4.92 120.51 108.65 1upn n ALA 67 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1upn n ALA 67 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1upn n ALA 67 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1upn n LEU 68 N 0.00 0.00 0.00 0.00 4.77 -1.26 -5.14 117.00 115.36 1upn n LEU 68 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1upn n LEU 68 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1upn n LEU 68 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.39 176.65