#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1btg s GLU 11 N 0.00 4.65 -0.09 1.61 0.41 -1.26 -4.97 118.70 119.04 1btg s GLU 11 Ca 0.00 1.26 -0.37 0.00 -0.41 0.00 0.00 54.97 55.45 1btg s GLU 11 Cb 0.00 -3.29 -0.15 0.00 -1.78 0.00 0.00 34.13 28.91 1btg s GLU 11 CO 0.00 0.49 1.66 0.34 -0.49 0.00 0.00 175.26 177.26 1btg n PHE 12 N 1.84 2.02 -4.47 1.61 7.35 -1.26 -4.93 117.46 119.62 1btg n PHE 12 Ca -0.04 0.40 -0.23 0.00 -0.76 0.00 0.00 57.45 56.83 1btg n PHE 12 Cb 0.48 -2.49 -0.10 0.00 0.35 0.00 0.00 39.48 37.73 1btg n PHE 12 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1btg s SER 13 N 2.63 2.46 0.00 -2.13 0.15 -1.26 -5.01 113.70 110.53 1btg s SER 13 Ca 0.91 -1.47 0.19 0.00 0.70 0.00 0.00 55.95 56.29 1btg s SER 13 Cb -0.91 0.12 0.84 0.00 -1.71 0.00 0.00 66.02 64.36 1btg s SER 13 CO 0.55 -0.72 1.62 1.33 1.20 0.00 0.00 173.24 177.22 1btg n VAL 14 N -0.75 0.65 -3.76 4.45 0.24 -1.26 -4.69 118.33 113.21 1btg n VAL 14 Ca -0.04 0.16 -0.14 0.00 -2.04 0.00 0.00 64.34 62.29 1btg n VAL 14 Cb 0.66 -0.83 -0.15 0.00 -1.47 0.00 0.00 33.84 32.05 1btg n VAL 14 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1btg s ASP 16 N 1.06 6.93 0.38 0.00 1.01 -1.26 -4.95 116.67 119.84 1btg s ASP 16 Ca -0.08 1.13 0.06 0.00 0.71 0.00 0.00 52.55 54.36 1btg s ASP 16 Cb -0.11 -2.40 -0.07 0.00 1.01 0.00 0.00 42.92 41.34 1btg s ASP 16 CO -0.04 -0.16 0.03 -0.94 0.21 0.00 0.00 175.17 174.27 1btg s SER 17 N 0.87 3.29 -0.02 0.27 1.04 -1.26 0.84 113.70 118.73 1btg s SER 17 Ca 0.36 -1.38 -0.00 0.00 0.48 0.00 0.00 55.95 55.41 1btg s SER 17 Cb -0.17 -0.26 0.03 0.00 0.10 0.00 0.00 66.02 65.72 1btg s SER 17 CO 0.16 -0.52 0.03 0.54 0.98 0.00 0.00 173.24 174.43 1btg s VAL 18 N -2.95 -0.05 0.10 5.02 0.11 0.24 -4.76 120.40 118.12 1btg s VAL 18 Ca 0.35 0.24 0.10 0.00 -2.93 0.00 0.00 61.98 59.74 1btg s VAL 18 Cb 0.09 -0.10 -0.04 0.00 -1.53 0.00 0.00 36.38 34.80 1btg s VAL 18 CO 0.17 0.11 -0.23 -0.44 -3.33 0.00 0.00 175.10 171.38 1btg s SER 19 N 1.24 3.57 0.06 3.54 0.01 -1.26 -0.92 113.70 119.94 1btg s SER 19 Ca -0.07 -0.62 -0.26 0.00 1.31 0.00 0.00 55.95 56.31 1btg s SER 19 Cb -0.13 -0.40 0.09 0.00 0.21 0.00 0.00 66.02 65.79 1btg s SER 19 CO -0.03 0.20 0.76 0.54 0.41 0.00 0.00 173.24 175.11 1btg s VAL 20 N -1.04 0.00 -0.23 3.43 0.11 0.08 -4.98 120.40 117.76 1btg s VAL 20 Ca 0.15 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 59.03 1btg s VAL 20 Cb -0.10 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.71 1btg s VAL 20 CO 0.07 0.00 0.46 0.26 -3.33 0.00 0.00 175.10 172.56 1btg s TRP 21 N -3.26 3.32 -0.22 1.54 0.52 -1.26 -1.15 118.94 118.44 1btg s TRP 21 Ca 0.02 0.64 -0.04 0.00 0.02 0.00 0.00 56.10 56.74 1btg s TRP 21 Cb -0.01 -2.63 -0.01 0.00 -1.15 0.00 0.00 33.47 29.67 1btg s TRP 21 CO -0.10 -0.14 -0.02 0.14 0.02 0.00 0.00 176.95 176.84 1btg s VAL 22 N 1.80 3.56 -0.84 4.03 -7.23 0.13 -4.98 120.40 116.88 1btg s VAL 22 Ca 0.21 -0.43 0.10 0.00 -1.81 0.00 0.00 61.98 60.04 1btg s VAL 22 Cb -0.15 -2.62 0.27 0.00 0.56 0.00 0.00 36.38 34.44 1btg s VAL 22 CO 0.09 0.41 1.23 0.61 -0.31 0.00 0.00 175.10 177.13 1btg n GLY 23 N 4.71 2.77 0.24 2.32 0.00 -1.26 -1.62 105.19 112.34 1btg n GLY 23 Ca -0.18 -0.34 0.05 0.00 0.00 0.00 0.00 46.02 45.56 1btg n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1btg n ASP 24 N 0.41 1.31 -4.69 1.61 5.68 -1.26 -4.62 116.55 114.99 1btg n ASP 24 Ca 0.10 -2.52 -0.44 0.00 -0.50 0.00 0.00 54.79 51.43 1btg n ASP 24 Cb 0.41 -0.30 -0.02 0.00 -1.14 0.00 0.00 41.12 40.06 1btg n ASP 24 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1btg n LYS 25 N -0.76 2.15 0.00 0.11 4.81 -1.26 -4.83 118.16 118.38 1btg n LYS 25 Ca 0.08 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.29 1btg n LYS 25 Cb 0.64 -2.43 0.00 0.00 0.02 0.00 0.00 35.03 33.25 1btg n LYS 25 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1btg n THR 26 N 1.79 0.00 -4.70 3.15 -2.24 -1.26 -4.68 114.28 106.33 1btg n THR 26 Ca 0.10 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.61 1btg n THR 26 Cb 0.33 -0.05 -0.14 0.00 -2.10 0.00 0.00 70.33 68.37 1btg n THR 26 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1btg s THR 27 N -1.65 1.86 0.26 4.28 -1.32 -1.26 0.72 115.64 118.54 1btg s THR 27 Ca 0.00 -1.31 -0.21 0.00 -1.21 0.00 0.00 61.69 58.96 1btg s THR 27 Cb 0.00 -1.61 0.04 0.00 -1.51 0.00 0.00 72.50 69.42 1btg s THR 27 CO 0.00 0.24 0.83 0.00 -2.21 0.00 0.00 174.62 173.48 1btg s ALA 28 N -0.83 -1.28 -0.19 11.08 0.00 -0.51 -4.89 121.76 125.14 1btg s ALA 28 Ca 0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 51.96 51.74 1btg s ALA 28 Cb -0.09 0.75 -0.01 0.00 0.00 0.00 0.00 23.12 23.77 1btg s ALA 28 CO 0.02 -1.03 -0.08 0.99 0.00 0.00 0.00 175.76 175.66 1btg s THR 29 N -3.25 3.15 1.08 0.00 2.01 -1.26 0.61 115.64 117.98 1btg s THR 29 Ca 0.13 -0.58 -0.17 0.00 0.31 0.00 0.00 61.69 61.38 1btg s THR 29 Cb -0.04 -2.40 0.23 0.00 0.01 0.00 0.00 72.50 70.30 1btg s THR 29 CO 0.06 0.46 1.17 1.51 -0.69 0.00 0.00 174.62 177.14 1btg s ASP 30 N 1.13 2.05 0.50 3.53 -4.77 -0.31 0.58 116.67 119.38 1btg s ASP 30 Ca 0.01 0.61 0.15 0.00 -3.30 0.00 0.00 52.55 50.02 1btg s ASP 30 Cb -0.14 -0.87 1.19 0.00 -1.09 0.00 0.00 42.92 42.00 1btg s ASP 30 CO -0.02 -3.42 2.12 -0.29 0.70 0.00 0.00 175.17 174.26 1btg h ILE 31 N -2.10 1.03 -0.00 2.11 2.10 -0.47 -0.18 117.51 119.99 1btg h ILE 31 Ca -0.46 -0.08 0.00 0.00 1.08 0.00 0.00 64.86 65.39 1btg h ILE 31 Cb 1.28 0.96 0.00 0.00 -1.09 0.00 0.00 36.82 37.98 1btg h ILE 31 CO 0.41 0.03 -0.01 0.29 -1.08 0.00 0.00 178.15 177.79 1btg n LYS 32 N -4.51 0.71 -0.62 2.19 5.02 -1.26 -4.89 118.16 114.80 1btg n LYS 32 Ca -0.02 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1btg n LYS 32 Cb 0.10 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 1btg n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1btg n GLY 33 N 1.17 0.73 3.81 0.72 0.00 -0.08 -5.04 105.19 106.50 1btg n GLY 33 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1btg n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1btg s LYS 34 N -0.38 4.12 0.40 1.61 1.02 -1.26 -4.78 119.74 120.46 1btg s LYS 34 Ca 0.00 0.62 -0.24 0.00 0.02 0.00 0.00 55.97 56.37 1btg s LYS 34 Cb 0.00 -3.24 -0.09 0.00 -0.52 0.00 0.00 37.83 33.98 1btg s LYS 34 CO 0.00 0.63 1.05 -2.00 -0.92 0.00 0.00 175.35 174.11 1btg s GLU 35 N -1.00 4.17 0.20 1.68 2.12 -1.26 -1.16 118.70 123.45 1btg s GLU 35 Ca 0.27 1.53 -0.09 0.00 0.36 0.00 0.00 54.97 57.05 1btg s GLU 35 Cb -0.18 -2.56 -0.01 0.00 0.26 0.00 0.00 34.13 31.63 1btg s GLU 35 CO 0.17 -0.14 0.31 0.14 -0.54 0.00 0.00 175.26 175.20 1btg s VAL 36 N -1.64 0.03 -0.14 3.70 -7.23 0.20 -4.85 120.40 110.48 1btg s VAL 36 Ca 0.57 -1.51 -0.07 0.00 -1.81 0.00 0.00 61.98 59.16 1btg s VAL 36 Cb -0.22 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.60 1btg s VAL 36 CO 0.28 -0.15 0.12 -0.89 -0.31 0.00 0.00 175.10 174.15 1btg s THR 37 N -4.02 5.37 -0.32 5.32 2.01 0.35 -1.42 115.64 122.93 1btg s THR 37 Ca 0.23 0.16 -0.18 0.00 0.31 0.00 0.00 61.69 62.22 1btg s THR 37 Cb 0.03 -3.36 -0.01 0.00 0.01 0.00 0.00 72.50 69.17 1btg s THR 37 CO 0.05 0.58 0.49 -0.69 -0.69 0.00 0.00 174.62 174.36 1btg s VAL 38 N -0.69 5.05 0.27 3.82 1.01 0.22 -0.76 120.40 129.33 1btg s VAL 38 Ca 0.13 0.46 -0.30 0.00 0.00 0.00 0.00 61.98 62.27 1btg s VAL 38 Cb -0.12 -3.90 -0.13 0.00 0.00 0.00 0.00 36.38 32.24 1btg s VAL 38 CO 0.03 -0.10 1.48 0.18 0.00 0.00 0.00 175.10 176.68 1btg n LEU 39 N 5.64 3.69 0.03 3.92 4.32 -0.23 -4.66 117.00 129.71 1btg n LEU 39 Ca -0.05 1.15 -0.10 0.00 -0.02 0.00 0.00 56.01 56.99 1btg n LEU 39 Cb 0.49 -1.50 0.04 0.00 -1.62 0.00 0.00 43.42 40.82 1btg n LEU 39 CO 0.43 -0.21 0.40 0.00 -1.22 0.00 0.00 177.39 176.79 1btg h ALA 40 N 4.31 0.62 -3.69 -1.18 0.00 -1.90 -3.44 119.26 113.99 1btg h ALA 40 Ca -0.46 -0.57 -0.61 0.00 0.00 0.00 0.00 54.91 53.27 1btg h ALA 40 Cb 1.25 -0.07 -0.32 0.00 0.00 0.00 0.00 17.79 18.66 1btg h ALA 40 CO 0.76 0.73 -0.85 -1.21 0.00 0.00 0.00 179.25 178.67 1btg s GLU 41 N -3.77 2.23 -0.07 0.00 2.02 -1.26 -4.05 118.70 113.79 1btg s GLU 41 Ca -0.06 -0.69 0.02 0.00 0.02 0.00 0.00 54.97 54.25 1btg s GLU 41 Cb 0.11 -1.83 -0.03 0.00 0.10 0.00 0.00 34.13 32.48 1btg s GLU 41 CO 0.84 0.21 -0.10 0.54 0.02 0.00 0.00 175.26 176.77 1btg s VAL 42 N 0.20 3.42 -0.35 2.63 0.11 0.57 -4.87 120.40 122.11 1btg s VAL 42 Ca -0.10 -0.58 -0.03 0.00 -2.93 0.00 0.00 61.98 58.34 1btg s VAL 42 Cb -0.14 -2.39 0.07 0.00 -1.53 0.00 0.00 36.38 32.39 1btg s VAL 42 CO 0.04 0.58 0.10 0.21 -3.33 0.00 0.00 175.10 172.71 1btg s ASN 43 N -0.62 5.13 -0.21 3.54 3.04 -1.26 0.31 114.94 124.87 1btg s ASN 43 Ca 0.09 -1.54 -0.06 0.00 0.04 0.00 0.00 52.86 51.39 1btg s ASN 43 Cb -0.11 -1.79 -0.03 0.00 -1.54 0.00 0.00 41.25 37.77 1btg s ASN 43 CO 0.02 -0.39 0.04 -0.63 -3.04 0.00 0.00 177.10 173.10 1btg s ILE 44 N 1.24 4.30 -1.51 -5.21 -1.09 1.41 -4.44 121.20 115.89 1btg s ILE 44 Ca 0.01 -0.19 -0.11 0.00 -2.23 0.00 0.00 60.65 58.12 1btg s ILE 44 Cb -0.21 -2.96 0.08 0.00 -1.58 0.00 0.00 42.46 37.79 1btg s ILE 44 CO -0.01 0.41 0.85 0.59 -1.23 0.00 0.00 174.94 175.55 1btg n ASN 45 N 4.21 -3.54 -1.38 3.58 3.02 -1.26 0.24 115.26 120.13 1btg n ASN 45 Ca -0.17 -0.85 -0.14 0.00 -0.03 0.00 0.00 54.58 53.39 1btg n ASN 45 Cb 0.52 -3.64 -0.03 0.00 -0.61 0.00 0.00 39.78 36.01 1btg n ASN 45 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1btg n ASN 46 N -2.85 -4.52 -4.10 6.41 3.02 -1.26 -4.98 115.26 106.98 1btg n ASN 46 Ca -0.04 0.15 -0.27 0.00 -0.03 0.00 0.00 54.58 54.39 1btg n ASN 46 Cb 0.56 -3.49 -0.17 0.00 -0.61 0.00 0.00 39.78 36.07 1btg n ASN 46 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1btg s SER 47 N -2.58 2.26 -0.14 6.41 0.01 0.14 -5.14 113.70 114.66 1btg s SER 47 Ca 0.00 -0.39 -0.03 0.00 1.31 0.00 0.00 55.95 56.84 1btg s SER 47 Cb 0.00 -1.04 -0.03 0.00 0.21 0.00 0.00 66.02 65.16 1btg s SER 47 CO 0.00 0.08 -0.04 0.54 0.41 0.00 0.00 173.24 174.23 1btg s VAL 48 N 0.55 3.87 0.12 3.43 0.11 -1.26 0.42 120.40 127.64 1btg s VAL 48 Ca -0.16 -0.38 0.03 0.00 -2.93 0.00 0.00 61.98 58.54 1btg s VAL 48 Cb -0.17 -2.67 -0.04 0.00 -1.53 0.00 0.00 36.38 31.97 1btg s VAL 48 CO 0.06 0.52 -0.08 -0.36 -3.33 0.00 0.00 175.10 171.90 1btg s PHE 49 N 0.08 1.06 0.41 1.54 0.40 0.90 -4.88 117.98 117.49 1btg s PHE 49 Ca -0.01 -0.82 -0.22 0.00 -0.60 0.00 0.00 56.93 55.27 1btg s PHE 49 Cb -0.14 -0.57 -0.10 0.00 0.51 0.00 0.00 43.02 42.72 1btg s PHE 49 CO 0.03 -0.04 0.97 1.03 0.70 0.00 0.00 175.22 177.91 1btg s ARG 50 N -3.70 4.27 -0.31 0.44 0.52 -1.26 0.21 118.95 119.12 1btg s ARG 50 Ca 0.13 1.23 -0.15 0.00 -0.52 0.00 0.00 55.73 56.43 1btg s ARG 50 Cb 0.03 -2.36 -0.02 0.00 0.52 0.00 0.00 34.95 33.12 1btg s ARG 50 CO -0.02 -0.00 0.38 -0.65 0.02 0.00 0.00 175.30 175.02 1btg s GLN 51 N -2.84 3.80 -0.04 3.54 -0.21 -1.26 -4.86 119.66 117.79 1btg s GLN 51 Ca 0.59 -0.17 0.01 0.00 0.02 0.00 0.00 55.36 55.81 1btg s GLN 51 Cb -0.13 -3.73 -0.03 0.00 1.00 0.00 0.00 33.01 30.11 1btg s GLN 51 CO 0.18 -0.41 -0.03 0.71 -2.12 0.00 0.00 175.29 173.62 1btg s TYR 52 N 2.07 3.01 0.02 0.91 1.51 -1.26 -4.52 117.35 119.09 1btg s TYR 52 Ca 0.14 0.06 0.04 0.00 -1.01 0.00 0.00 57.07 56.30 1btg s TYR 52 Cb -0.16 -1.69 -0.02 0.00 -0.11 0.00 0.00 41.96 39.98 1btg s TYR 52 CO 0.11 0.41 -0.13 -0.06 -1.11 0.00 0.00 175.55 174.77 1btg s PHE 53 N -0.94 1.11 -0.37 2.71 0.08 -0.64 -5.01 117.98 114.92 1btg s PHE 53 Ca 0.16 -0.29 -0.08 0.00 0.12 0.00 0.00 56.93 56.83 1btg s PHE 53 Cb -0.11 -0.68 0.04 0.00 -0.57 0.00 0.00 43.02 41.70 1btg s PHE 53 CO 0.05 0.01 0.17 0.12 -0.10 0.00 0.00 175.22 175.47 1btg s PHE 54 N -0.62 3.27 -0.03 0.36 5.36 -1.26 -0.69 117.98 124.37 1btg s PHE 54 Ca 0.02 -1.32 0.02 0.00 -0.96 0.00 0.00 56.93 54.69 1btg s PHE 54 Cb -0.06 -2.47 -0.03 0.00 -0.34 0.00 0.00 43.02 40.11 1btg s PHE 54 CO 0.00 -0.73 -0.05 -1.21 -1.46 0.00 0.00 175.22 171.77 1btg s GLU 55 N 1.45 2.69 -0.10 10.12 2.02 -0.30 -4.87 118.70 129.71 1btg s GLU 55 Ca 0.00 -0.62 -0.00 0.00 0.02 0.00 0.00 54.97 54.38 1btg s GLU 55 Cb -0.20 -2.58 0.02 0.00 0.10 0.00 0.00 34.13 31.47 1btg s GLU 55 CO 0.04 0.64 -0.07 0.99 0.02 0.00 0.00 175.26 176.87 1btg s THR 56 N -0.94 0.98 0.23 3.63 2.01 -0.80 -0.75 115.64 120.01 1btg s THR 56 Ca 0.15 -0.27 0.10 0.00 0.31 0.00 0.00 61.69 61.98 1btg s THR 56 Cb -0.11 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.36 1btg s THR 56 CO 0.05 0.36 -0.08 -0.54 -0.69 0.00 0.00 174.62 173.72 1btg s LYS 57 N 1.60 2.08 0.48 4.92 1.02 -0.10 -3.17 119.74 126.57 1btg s LYS 57 Ca 0.03 -1.42 -0.20 0.00 0.02 0.00 0.00 55.97 54.39 1btg s LYS 57 Cb -0.13 -2.09 -0.09 0.00 -0.52 0.00 0.00 37.83 35.01 1btg s LYS 57 CO -0.07 0.39 1.03 0.00 -0.92 0.00 0.00 175.35 175.78 1btg h ARG 59 N 1.62 0.59 -3.32 0.00 2.47 0.14 -3.44 114.38 112.44 1btg h ARG 59 Ca -0.49 -0.70 -0.04 0.00 -1.26 0.00 0.00 59.98 57.49 1btg h ARG 59 Cb 1.21 0.21 -0.12 0.00 -1.65 0.00 0.00 29.97 29.63 1btg h ARG 59 CO 0.59 1.29 -0.01 0.00 0.56 0.00 0.00 179.97 182.41 1btg s ALA 60 N -3.17 -1.00 -0.72 0.04 0.00 -1.26 -5.02 121.76 110.63 1btg s ALA 60 Ca -0.08 -0.06 0.26 0.00 0.00 0.00 0.00 51.96 52.08 1btg s ALA 60 Cb 0.07 0.78 0.83 0.00 0.00 0.00 0.00 23.12 24.80 1btg s ALA 60 CO 0.91 -0.72 1.78 -1.13 0.00 0.00 0.00 175.76 176.60 1btg n SER 61 N -0.29 0.78 -3.41 0.00 3.41 -1.26 -4.40 113.62 108.46 1btg n SER 61 Ca -0.14 0.58 -0.26 0.00 -0.26 0.00 0.00 58.87 58.79 1btg n SER 61 Cb 0.63 -0.79 -0.10 0.00 -0.26 0.00 0.00 64.21 63.69 1btg n SER 61 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1btg s ASN 62 N -4.47 2.14 0.20 4.04 0.01 -1.26 0.01 114.94 115.61 1btg s ASN 62 Ca 0.10 -2.33 0.11 0.00 -0.71 0.00 0.00 52.86 50.03 1btg s ASN 62 Cb 0.12 -0.20 0.59 0.00 0.41 0.00 0.00 41.25 42.18 1btg s ASN 62 CO 0.58 -0.26 1.27 -0.81 -1.51 0.00 0.00 177.10 176.37 1btg n PRO 63 N 3.71 0.07 -3.72 -0.60 -0.04 -1.17 -4.44 135.00 128.81 1btg n PRO 63 Ca 0.17 0.53 -0.13 0.00 -0.04 0.00 0.00 63.50 64.03 1btg n PRO 63 Cb 0.42 -1.87 -0.07 0.00 -0.04 0.00 0.00 33.50 31.94 1btg n PRO 63 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1btg s VAL 64 N -3.20 0.07 0.22 0.52 0.11 -1.09 -4.92 120.40 112.11 1btg s VAL 64 Ca -0.01 -0.54 -0.19 0.00 -2.93 0.00 0.00 61.98 58.31 1btg s VAL 64 Cb 0.03 -0.88 0.20 0.00 -1.53 0.00 0.00 36.38 34.20 1btg s VAL 64 CO 0.10 -0.30 1.56 -0.08 -3.33 0.00 0.00 175.10 173.05 1btg h GLU 65 N 3.27 -0.04 0.00 1.54 4.81 -1.97 -1.21 114.58 120.98 1btg h GLU 65 Ca -0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1btg h GLU 65 Cb 1.19 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1btg h GLU 65 CO 0.44 -0.03 0.00 -1.13 -0.73 0.00 0.00 179.01 177.56 1btg n SER 66 N -5.45 0.15 0.00 1.04 3.41 -1.26 -4.99 113.62 106.52 1btg n SER 66 Ca 0.08 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 1btg n SER 66 Cb 0.38 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 1btg n SER 66 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1btg n GLY 67 N -0.08 0.43 3.81 5.00 0.00 -0.46 -4.41 105.19 109.47 1btg n GLY 67 Ca 0.03 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.65 1btg n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1btg s ARG 69 N -3.25 4.55 0.00 0.00 3.52 -0.62 -3.68 118.95 119.48 1btg s ARG 69 Ca 0.65 1.81 0.00 0.00 -0.13 0.00 0.00 55.73 58.06 1btg s ARG 69 Cb -0.14 -3.25 0.00 0.00 -1.56 0.00 0.00 34.95 30.00 1btg s ARG 69 CO 0.18 0.01 0.00 0.41 -0.81 0.00 0.00 175.30 175.09 1btg n GLY 70 N 2.01 0.49 3.76 8.12 0.00 -1.26 -4.34 105.19 113.97 1btg n GLY 70 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1btg n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1btg s ILE 71 N -2.14 3.27 -0.92 -0.61 -1.09 -1.24 -4.91 121.20 113.55 1btg s ILE 71 Ca 0.00 1.23 -0.24 0.00 -2.23 0.00 0.00 60.65 59.41 1btg s ILE 71 Cb 0.00 -3.79 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 1btg s ILE 71 CO 0.00 0.27 1.88 -0.62 -1.23 0.00 0.00 174.94 175.25 1btg s ASP 72 N -0.55 5.31 0.00 3.58 -1.08 -1.26 -4.78 116.67 117.89 1btg s ASP 72 Ca 0.48 -0.80 0.00 0.00 -0.52 0.00 0.00 52.55 51.71 1btg s ASP 72 Cb -0.34 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.55 1btg s ASP 72 CO 0.43 -2.59 0.64 -1.54 0.52 0.00 0.00 175.17 172.63 1btg n SER 73 N 13.34 0.27 0.05 -0.34 3.41 -1.26 -2.55 113.62 126.53 1btg n SER 73 Ca 0.39 -1.54 0.02 0.00 -0.26 0.00 0.00 58.87 57.48 1btg n SER 73 Cb 0.47 -0.13 -0.07 0.00 -0.26 0.00 0.00 64.21 64.22 1btg n SER 73 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1btg n LYS 74 N -0.29 0.62 0.00 4.33 4.01 -1.26 -4.33 118.16 121.24 1btg n LYS 74 Ca 0.00 0.21 0.03 0.00 -0.51 0.00 0.00 58.31 58.03 1btg n LYS 74 Cb 0.07 -1.81 -0.01 0.00 -0.51 0.00 0.00 35.03 32.76 1btg n LYS 74 CO 0.00 0.00 0.00 -2.39 -1.11 0.00 0.00 177.40 173.90 1btg n HIS 75 N -2.85 0.00 -4.03 2.13 -0.00 -1.09 -4.87 115.22 104.51 1btg n HIS 75 Ca -0.08 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.56 1btg n HIS 75 Cb 0.79 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.68 1btg n HIS 75 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1btg s TRP 76 N -1.23 0.40 0.16 -1.40 0.52 -1.06 -1.27 118.94 115.06 1btg s TRP 76 Ca 0.04 -0.84 0.04 0.00 0.02 0.00 0.00 56.10 55.36 1btg s TRP 76 Cb 0.04 -0.29 -0.04 0.00 -1.15 0.00 0.00 33.47 32.04 1btg s TRP 76 CO 0.18 -0.34 0.18 -0.80 0.02 0.00 0.00 176.95 176.19 1btg s ASN 77 N -2.46 5.74 0.13 2.95 0.01 0.78 -4.56 114.94 117.53 1btg s ASN 77 Ca -0.00 -0.05 -0.24 0.00 -0.71 0.00 0.00 52.86 51.86 1btg s ASN 77 Cb 0.02 -1.57 0.08 0.00 0.41 0.00 0.00 41.25 40.19 1btg s ASN 77 CO -0.07 0.06 0.68 -0.94 -1.51 0.00 0.00 177.10 175.32 1btg s SER 78 N -3.14 -0.51 0.18 -1.22 1.04 -1.26 -0.38 113.70 108.41 1btg s SER 78 Ca 0.32 -0.03 -0.23 0.00 0.48 0.00 0.00 55.95 56.49 1btg s SER 78 Cb -0.10 0.55 0.06 0.00 0.10 0.00 0.00 66.02 66.63 1btg s SER 78 CO 0.25 -0.90 0.65 -0.72 0.98 0.00 0.00 173.24 173.50 1btg s TYR 79 N -3.60 -0.43 -0.16 5.02 1.13 -0.49 -3.91 117.35 114.90 1btg s TYR 79 Ca 0.02 0.16 -0.08 0.00 -1.41 0.00 0.00 57.07 55.76 1btg s TYR 79 Cb -0.01 0.60 -0.04 0.00 -1.10 0.00 0.00 41.96 41.40 1btg s TYR 79 CO -0.11 -0.93 0.13 0.00 -2.51 0.00 0.00 175.55 172.13 1btg s THR 81 N -0.31 0.29 -0.02 0.00 -1.32 0.11 -4.42 115.64 109.96 1btg s THR 81 Ca 0.11 -1.90 -0.06 0.00 -1.21 0.00 0.00 61.69 58.63 1btg s THR 81 Cb -0.12 -1.89 -0.04 0.00 -1.51 0.00 0.00 72.50 68.94 1btg s THR 81 CO 0.01 -0.65 0.23 -0.89 -2.21 0.00 0.00 174.62 171.11 1btg s THR 82 N -3.91 5.37 0.45 5.08 2.01 -1.26 0.11 115.64 123.50 1btg s THR 82 Ca 0.18 0.12 0.05 0.00 0.31 0.00 0.00 61.69 62.36 1btg s THR 82 Cb 0.07 -3.53 -0.05 0.00 0.01 0.00 0.00 72.50 69.00 1btg s THR 82 CO -0.02 0.42 0.01 0.42 -0.69 0.00 0.00 174.62 174.76 1btg s THR 83 N -1.24 1.69 0.19 -0.82 -4.23 0.30 -4.94 115.64 106.59 1btg s THR 83 Ca 0.25 -1.99 0.10 0.00 -1.18 0.00 0.00 61.69 58.86 1btg s THR 83 Cb -0.13 -2.68 -0.04 0.00 1.34 0.00 0.00 72.50 70.99 1btg s THR 83 CO 0.14 0.00 -0.20 -1.00 -0.54 0.00 0.00 174.62 173.02 1btg s HIS 84 N -2.77 2.01 0.42 3.99 3.76 -1.26 0.71 115.29 122.15 1btg s HIS 84 Ca 0.24 -0.42 0.04 0.00 -0.15 0.00 0.00 55.06 54.76 1btg s HIS 84 Cb 0.07 -0.98 -0.04 0.00 1.11 0.00 0.00 32.58 32.73 1btg s HIS 84 CO 0.12 0.42 0.05 -0.08 -0.85 0.00 0.00 174.74 174.41 1btg s THR 85 N -2.00 1.15 -0.12 1.30 -1.32 -0.31 -4.80 115.64 109.53 1btg s THR 85 Ca 0.19 -2.00 0.03 0.00 -1.21 0.00 0.00 61.69 58.69 1btg s THR 85 Cb -0.06 -2.51 0.01 0.00 -1.51 0.00 0.00 72.50 68.43 1btg s THR 85 CO 0.08 0.00 -0.20 -0.36 -2.21 0.00 0.00 174.62 171.93 1btg s PHE 86 N -3.04 2.39 0.00 9.09 0.08 -1.26 -1.93 117.98 123.31 1btg s PHE 86 Ca 0.23 -1.13 0.07 0.00 0.12 0.00 0.00 56.93 56.22 1btg s PHE 86 Cb 0.05 -1.65 -0.02 0.00 -0.57 0.00 0.00 43.02 40.83 1btg s PHE 86 CO 0.12 -0.52 -0.22 0.14 -0.10 0.00 0.00 175.22 174.64 1btg s VAL 87 N 0.76 1.74 0.38 -0.44 -7.23 -1.11 -4.88 120.40 109.62 1btg s VAL 87 Ca -0.10 -1.03 -0.26 0.00 -1.81 0.00 0.00 61.98 58.79 1btg s VAL 87 Cb -0.16 -1.46 -0.09 0.00 0.56 0.00 0.00 36.38 35.23 1btg s VAL 87 CO 0.01 0.41 1.18 -0.54 -0.31 0.00 0.00 175.10 175.85 1btg s LYS 88 N -0.72 4.15 -0.01 4.82 1.02 -1.26 -1.16 119.74 126.59 1btg s LYS 88 Ca 0.08 1.87 -0.12 0.00 0.02 0.00 0.00 55.97 57.83 1btg s LYS 88 Cb -0.09 -2.77 0.01 0.00 -0.52 0.00 0.00 37.83 34.47 1btg s LYS 88 CO -0.00 -0.25 0.24 0.00 -0.92 0.00 0.00 175.35 174.42 1btg s ALA 89 N -1.36 -0.60 -0.43 5.17 0.00 0.19 -4.91 121.76 119.82 1btg s ALA 89 Ca 0.55 0.16 -0.29 0.00 0.00 0.00 0.00 51.96 52.38 1btg s ALA 89 Cb -0.32 0.07 0.02 0.00 0.00 0.00 0.00 23.12 22.90 1btg s ALA 89 CO 0.40 -0.23 1.16 -1.17 0.00 0.00 0.00 175.76 175.91 1btg s LEU 90 N -1.29 3.71 0.00 0.00 2.96 -1.26 -0.45 118.68 122.34 1btg s LEU 90 Ca -0.14 0.67 0.02 0.00 -0.22 0.00 0.00 54.13 54.46 1btg s LEU 90 Cb -0.06 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.07 1btg s LEU 90 CO 0.03 -1.18 0.08 0.35 -1.32 0.00 0.00 176.35 174.31 1btg n THR 91 N 6.61 0.00 -3.71 3.68 -2.24 -0.21 -1.06 114.28 117.35 1btg n THR 91 Ca 0.13 -1.69 -0.14 0.00 -2.27 0.00 0.00 64.05 60.08 1btg n THR 91 Cb 0.48 0.54 -0.09 0.00 -2.10 0.00 0.00 70.33 69.16 1btg n THR 91 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1btg s THR 92 N -2.54 0.01 -0.95 4.28 -1.32 0.06 -1.46 115.64 113.71 1btg s THR 92 Ca 0.11 -0.06 0.14 0.00 -1.21 0.00 0.00 61.69 60.67 1btg s THR 92 Cb 0.01 -0.67 0.42 0.00 -1.51 0.00 0.00 72.50 70.75 1btg s THR 92 CO 0.08 -0.03 1.35 -0.90 -2.21 0.00 0.00 174.62 172.91 1btg n ASP 93 N 2.53 3.38 0.00 8.08 5.75 -1.21 -0.50 116.55 134.58 1btg n ASP 93 Ca -0.15 -2.20 0.00 0.00 -0.01 0.00 0.00 54.79 52.43 1btg n ASP 93 Cb 0.57 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 1btg n ASP 93 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1btg n GLU 94 N 0.54 0.00 -0.13 0.11 1.02 -1.26 -4.75 120.64 116.18 1btg n GLU 94 Ca 0.16 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 57.05 1btg n GLU 94 Cb 0.57 -0.61 -0.08 0.00 -0.02 0.00 0.00 31.44 31.30 1btg n GLU 94 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1btg n LYS 95 N -2.00 0.56 -4.07 3.49 5.02 -1.26 -5.02 118.16 114.89 1btg n LYS 95 Ca 0.00 0.24 -0.16 0.00 -2.02 0.00 0.00 58.31 56.37 1btg n LYS 95 Cb 0.00 -1.45 -0.15 0.00 -0.02 0.00 0.00 35.03 33.41 1btg n LYS 95 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1btg s GLN 96 N -2.59 0.39 -0.23 1.97 -2.07 -1.26 -5.14 119.66 110.73 1btg s GLN 96 Ca -0.36 -0.09 -0.13 0.00 -1.82 0.00 0.00 55.36 52.96 1btg s GLN 96 Cb 0.12 -0.42 -0.04 0.00 -1.09 0.00 0.00 33.01 31.57 1btg s GLN 96 CO 0.47 0.02 0.27 0.00 -1.32 0.00 0.00 175.29 174.72 1btg s ALA 97 N 0.29 3.58 0.33 2.60 0.00 -1.26 -3.31 121.76 123.98 1btg s ALA 97 Ca -0.03 -0.76 -0.13 0.00 0.00 0.00 0.00 51.96 51.04 1btg s ALA 97 Cb -0.06 -2.49 0.05 0.00 0.00 0.00 0.00 23.12 20.63 1btg s ALA 97 CO -0.00 -0.30 0.69 0.00 0.00 0.00 0.00 175.76 176.15 1btg n ALA 98 N 4.51 -1.58 -2.70 0.00 0.00 -0.54 -5.01 120.51 115.19 1btg n ALA 98 Ca -0.12 -1.07 -0.39 0.00 0.00 0.00 0.00 53.44 51.86 1btg n ALA 98 Cb 0.52 0.84 -0.06 0.00 0.00 0.00 0.00 19.45 20.75 1btg n ALA 98 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1btg s TRP 99 N -3.10 3.49 0.27 0.00 0.52 -1.26 -1.05 118.94 117.81 1btg s TRP 99 Ca 0.14 0.96 0.03 0.00 0.02 0.00 0.00 56.10 57.25 1btg s TRP 99 Cb -0.04 -2.66 -0.06 0.00 -1.15 0.00 0.00 33.47 29.56 1btg s TRP 99 CO 0.10 0.06 0.06 1.03 0.02 0.00 0.00 176.95 178.22 1btg s ARG 100 N 1.00 1.46 -0.24 4.98 0.52 0.41 -4.87 118.95 122.20 1btg s ARG 100 Ca 0.29 -1.78 -0.15 0.00 -0.52 0.00 0.00 55.73 53.56 1btg s ARG 100 Cb -0.16 -0.54 -0.04 0.00 0.52 0.00 0.00 34.95 34.74 1btg s ARG 100 CO 0.12 -0.21 0.39 -0.06 0.02 0.00 0.00 175.30 175.56 1btg s PHE 101 N -3.53 3.30 0.30 -0.53 0.08 -1.26 0.58 117.98 116.93 1btg s PHE 101 Ca 0.35 0.50 0.08 0.00 0.12 0.00 0.00 56.93 57.98 1btg s PHE 101 Cb 0.08 -2.55 -0.04 0.00 -0.57 0.00 0.00 43.02 39.93 1btg s PHE 101 CO 0.13 -0.13 0.12 0.96 -0.10 0.00 0.00 175.22 176.19 1btg s ILE 102 N 1.74 3.41 0.30 0.64 -4.36 -0.31 0.31 121.20 122.93 1btg s ILE 102 Ca 0.17 -1.68 -0.15 0.00 -0.26 0.00 0.00 60.65 58.73 1btg s ILE 102 Cb -0.15 -3.02 -0.09 0.00 1.25 0.00 0.00 42.46 40.45 1btg s ILE 102 CO 0.09 -0.26 0.71 -0.13 0.24 0.00 0.00 174.94 175.58 1btg s ARG 103 N -3.81 4.00 -0.04 0.37 0.52 0.19 -2.75 118.95 117.44 1btg s ARG 103 Ca 0.35 0.63 -0.00 0.00 -0.52 0.00 0.00 55.73 56.19 1btg s ARG 103 Cb -0.05 -2.52 0.03 0.00 0.52 0.00 0.00 34.95 32.93 1btg s ARG 103 CO 0.23 0.21 0.01 0.42 0.02 0.00 0.00 175.30 176.19 1btg s ILE 104 N -1.90 0.14 0.20 1.52 1.09 -0.81 -4.67 121.20 116.77 1btg s ILE 104 Ca 0.52 0.16 -0.30 0.00 -1.10 0.00 0.00 60.65 59.93 1btg s ILE 104 Cb -0.11 -0.28 -0.09 0.00 -1.06 0.00 0.00 42.46 40.92 1btg s ILE 104 CO 0.18 0.17 1.26 -1.81 -0.10 0.00 0.00 174.94 174.63 1btg s ASP 105 N 1.39 6.98 0.00 3.58 1.01 -1.26 -1.17 116.67 127.20 1btg s ASP 105 Ca -0.05 2.34 0.00 0.00 0.71 0.00 0.00 52.55 55.56 1btg s ASP 105 Cb -0.13 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.19 1btg s ASP 105 CO -0.03 -0.45 0.00 0.35 0.21 0.00 0.00 175.17 175.25 1btg n THR 106 N 2.43 0.00 -3.68 -1.27 -2.24 0.22 -1.90 114.28 107.84 1btg n THR 106 Ca 0.05 -0.33 -0.07 0.00 -2.27 0.00 0.00 64.05 61.42 1btg n THR 106 Cb 0.44 0.87 -0.02 0.00 -2.10 0.00 0.00 70.33 69.51 1btg n THR 106 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1btg s ALA 107 N -1.08 -1.52 -0.30 6.98 0.00 -1.15 -4.53 121.76 120.15 1btg s ALA 107 Ca 0.00 0.19 0.01 0.00 0.00 0.00 0.00 51.96 52.17 1btg s ALA 107 Cb 0.00 0.73 0.09 0.00 0.00 0.00 0.00 23.12 23.94 1btg s ALA 107 CO 0.00 -0.93 0.04 0.00 0.00 0.00 0.00 175.76 174.88 1btg s VAL 109 N 1.34 2.96 -0.24 0.00 -7.23 0.12 -4.73 120.40 112.61 1btg s VAL 109 Ca 0.06 -1.84 -0.10 0.00 -1.81 0.00 0.00 61.98 58.29 1btg s VAL 109 Cb -0.18 -2.88 -0.05 0.00 0.56 0.00 0.00 36.38 33.83 1btg s VAL 109 CO -0.14 -0.23 0.14 0.00 -0.31 0.00 0.00 175.10 174.56 1btg s VAL 111 N 1.17 4.74 0.29 0.00 -7.23 0.22 -4.92 120.40 114.67 1btg s VAL 111 Ca 0.07 -0.17 0.08 0.00 -1.81 0.00 0.00 61.98 60.14 1btg s VAL 111 Cb -0.14 -3.06 -0.03 0.00 0.56 0.00 0.00 36.38 33.71 1btg s VAL 111 CO 0.05 0.54 0.20 -0.76 -0.31 0.00 0.00 175.10 174.83 1btg s LEU 112 N -1.14 3.63 -0.23 1.32 1.02 -1.26 -1.40 118.68 120.62 1btg s LEU 112 Ca 0.16 -0.41 -0.12 0.00 0.02 0.00 0.00 54.13 53.78 1btg s LEU 112 Cb -0.12 -2.19 0.08 0.00 0.02 0.00 0.00 46.19 43.98 1btg s LEU 112 CO 0.06 -0.16 0.56 -0.55 0.02 0.00 0.00 176.35 176.28 1btg s SER 113 N -3.87 -0.74 0.18 2.29 0.15 0.49 -4.93 113.70 107.26 1btg s SER 113 Ca 0.36 1.24 -0.31 0.00 0.70 0.00 0.00 55.95 57.93 1btg s SER 113 Cb -0.07 1.21 -0.10 0.00 -1.71 0.00 0.00 66.02 65.35 1btg s SER 113 CO 0.25 -0.22 1.52 -0.13 1.20 0.00 0.00 173.24 175.86 1btg s ARG 114 N 1.71 4.23 0.19 5.44 0.52 -1.26 0.28 118.95 130.06 1btg s ARG 114 Ca -0.09 2.33 -0.32 0.00 -0.52 0.00 0.00 55.73 57.13 1btg s ARG 114 Cb -0.07 -3.15 -0.11 0.00 0.52 0.00 0.00 34.95 32.14 1btg s ARG 114 CO -0.17 -0.55 1.66 0.15 0.02 0.00 0.00 175.30 176.41 1btg s LYS 115 N 0.75 4.16 -0.19 3.54 1.02 -0.40 -4.74 119.74 123.89 1btg s LYS 115 Ca 0.67 2.51 -0.29 0.00 0.02 0.00 0.00 55.97 58.87 1btg s LYS 115 Cb -0.43 -3.11 -0.01 0.00 -0.52 0.00 0.00 37.83 33.76 1btg s LYS 115 CO 0.34 -0.69 1.32 0.00 -0.92 0.00 0.00 175.35 175.41 1btg s ALA 116 N 1.14 3.56 -1.20 5.17 0.00 -1.26 -4.93 121.76 124.24 1btg s ALA 116 Ca 0.73 0.41 0.10 0.00 0.00 0.00 0.00 51.96 53.19 1btg s ALA 116 Cb -0.47 -3.68 0.08 0.00 0.00 0.00 0.00 23.12 19.04 1btg s ALA 116 CO 0.32 -1.39 0.80 2.41 0.00 0.00 0.00 175.76 177.91