#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pys n ASN 3 N 0.00 -4.79 -0.26 1.61 3.02 -0.20 -4.19 115.26 110.45 2pys n ASN 3 Ca 0.00 -0.03 0.19 0.00 -0.03 0.00 0.00 54.58 54.71 2pys n ASN 3 Cb 0.00 -3.89 0.50 0.00 -0.61 0.00 0.00 39.78 35.78 2pys n ASN 3 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 2pys h PHE 4 N -0.09 0.58 0.00 3.10 -5.15 -1.55 -1.90 116.94 111.94 2pys h PHE 4 Ca -0.38 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.41 2pys h PHE 4 Cb 1.28 -0.18 0.00 0.00 0.22 0.00 0.00 35.95 37.27 2pys h PHE 4 CO 0.42 0.15 0.00 0.66 -2.00 0.00 0.00 178.31 177.54 2pys h SER 5 N 0.43 0.00 0.99 -0.68 4.64 -1.88 -0.72 113.55 116.33 2pys h SER 5 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 2pys h SER 5 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2pys h SER 5 CO -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.76 2pys n GLN 6 N -3.04 0.17 0.00 4.77 6.02 -0.71 -3.67 117.38 120.92 2pys n GLN 6 Ca -0.03 0.28 0.00 0.00 -0.01 0.00 0.00 57.00 57.24 2pys n GLN 6 Cb 0.07 -1.76 0.00 0.00 1.02 0.00 0.00 30.24 29.57 2pys n GLN 6 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2pys n ALA 7 N -1.71 2.14 -2.38 -1.58 0.00 -0.30 -5.09 120.51 111.60 2pys n ALA 7 Ca 0.04 -0.56 -0.19 0.00 0.00 0.00 0.00 53.44 52.73 2pys n ALA 7 Cb 0.31 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.65 2pys n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pys s TYR 9 N -3.15 -0.19 -1.38 0.00 2.02 0.20 -4.90 117.35 109.94 2pys s TYR 9 Ca 0.28 0.17 -0.05 0.00 -0.37 0.00 0.00 57.07 57.10 2pys s TYR 9 Cb 0.04 0.14 0.03 0.00 -0.40 0.00 0.00 41.96 41.76 2pys s TYR 9 CO 0.10 -0.49 0.81 0.09 -1.57 0.00 0.00 175.55 174.48 2pys n ASN 10 N 0.79 -2.46 -4.80 2.29 3.02 -1.26 -1.72 115.26 111.11 2pys n ASN 10 Ca -0.19 -0.80 -0.33 0.00 -0.03 0.00 0.00 54.58 53.22 2pys n ASN 10 Cb 0.58 -4.05 -0.01 0.00 -0.61 0.00 0.00 39.78 35.69 2pys n ASN 10 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2pys s SER 11 N -4.01 6.05 -0.06 6.41 0.01 -1.26 -4.51 113.70 116.34 2pys s SER 11 Ca 0.23 1.89 -0.17 0.00 1.31 0.00 0.00 55.95 59.20 2pys s SER 11 Cb -0.11 -2.55 0.04 0.00 0.21 0.00 0.00 66.02 63.60 2pys s SER 11 CO 0.81 -0.98 0.40 0.00 0.41 0.00 0.00 173.24 173.88 2pys s ALA 12 N -2.18 -1.01 -0.08 1.44 0.00 -0.07 -4.99 121.76 114.87 2pys s ALA 12 Ca 0.66 0.70 0.04 0.00 0.00 0.00 0.00 51.96 53.36 2pys s ALA 12 Cb -0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 2pys s ALA 12 CO 0.28 -0.26 -0.21 0.42 0.00 0.00 0.00 175.76 175.99 2pys s ILE 13 N -0.91 2.39 -0.04 0.00 1.01 -1.26 -0.95 121.20 121.44 2pys s ILE 13 Ca -0.10 -0.93 -0.01 0.00 0.00 0.00 0.00 60.65 59.61 2pys s ILE 13 Cb -0.04 -1.92 0.03 0.00 0.01 0.00 0.00 42.46 40.54 2pys s ILE 13 CO 0.04 0.56 0.03 -1.58 0.00 0.00 0.00 174.94 174.00 2pys s GLN 14 N -0.06 0.13 5.16 2.79 2.00 -0.48 -4.72 119.66 124.49 2pys s GLN 14 Ca -0.05 0.25 0.00 0.00 -2.00 0.00 0.00 55.36 53.56 2pys s GLN 14 Cb -0.14 -0.57 0.00 0.00 0.80 0.00 0.00 33.01 33.09 2pys s GLN 14 CO 0.05 -0.27 0.00 0.41 -0.50 0.00 0.00 175.29 174.97 2pys n GLY 15 N 4.94 3.57 1.10 2.59 0.00 -1.26 -1.31 105.19 114.82 2pys n GLY 15 Ca -0.11 0.20 0.11 0.00 0.00 0.00 0.00 46.02 46.22 2pys n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2pys n SER 16 N 6.30 3.21 -4.48 1.61 3.41 -1.26 -4.75 113.62 117.66 2pys n SER 16 Ca 0.00 -1.97 -0.34 0.00 -0.26 0.00 0.00 58.87 56.30 2pys n SER 16 Cb 0.00 -0.34 -0.12 0.00 -0.26 0.00 0.00 64.21 63.49 2pys n SER 16 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2pys s VAL 17 N -1.32 3.99 -0.18 -3.33 1.01 -0.42 -0.81 120.40 119.34 2pys s VAL 17 Ca 0.40 -0.31 -0.16 0.00 0.00 0.00 0.00 61.98 61.91 2pys s VAL 17 Cb 0.22 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 2pys s VAL 17 CO 0.29 0.46 0.37 -0.22 0.00 0.00 0.00 175.10 176.01 2pys s LEU 18 N 0.66 4.20 -0.02 3.92 2.96 -0.68 -1.38 118.68 128.35 2pys s LEU 18 Ca -0.01 0.55 0.08 0.00 -0.22 0.00 0.00 54.13 54.53 2pys s LEU 18 Cb -0.14 -2.49 -0.02 0.00 0.50 0.00 0.00 46.19 44.04 2pys s LEU 18 CO 0.02 -0.01 -0.25 -0.89 -1.32 0.00 0.00 176.35 173.90 2pys s THR 19 N 0.95 1.96 0.09 3.68 2.01 -0.13 -0.97 115.64 123.24 2pys s THR 19 Ca 0.19 -1.07 -0.17 0.00 0.31 0.00 0.00 61.69 60.95 2pys s THR 19 Cb -0.14 -1.63 0.04 0.00 0.01 0.00 0.00 72.50 70.78 2pys s THR 19 CO 0.07 0.54 0.40 -0.55 -0.69 0.00 0.00 174.62 174.40 2pys s SER 20 N -0.61 -0.25 -0.28 3.53 0.15 -0.85 -0.90 113.70 114.49 2pys s SER 20 Ca 0.10 -0.20 -0.02 0.00 0.70 0.00 0.00 55.95 56.53 2pys s SER 20 Cb -0.10 0.46 0.04 0.00 -1.71 0.00 0.00 66.02 64.71 2pys s SER 20 CO -0.01 -0.78 -0.02 -0.89 1.20 0.00 0.00 173.24 172.74 2pys s THR 21 N -3.31 2.98 0.05 6.45 2.01 -0.70 -2.08 115.64 121.04 2pys s THR 21 Ca -0.00 -1.24 0.08 0.00 0.31 0.00 0.00 61.69 60.84 2pys s THR 21 Cb 0.01 -2.64 -0.03 0.00 0.01 0.00 0.00 72.50 69.85 2pys s THR 21 CO -0.08 0.00 -0.22 0.00 -0.69 0.00 0.00 174.62 173.62 2pys s ILE 23 N -0.88 3.48 0.59 0.00 1.01 -0.18 -1.32 121.20 123.90 2pys s ILE 23 Ca 0.13 0.64 -0.17 0.00 0.00 0.00 0.00 60.65 61.25 2pys s ILE 23 Cb -0.10 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 2pys s ILE 23 CO 0.04 -0.05 1.10 -0.13 0.00 0.00 0.00 174.94 175.90 2pys s ARG 24 N 3.86 3.20 0.27 2.79 0.52 0.34 -3.62 118.95 126.31 2pys s ARG 24 Ca 0.74 1.43 0.01 0.00 -0.52 0.00 0.00 55.73 57.39 2pys s ARG 24 Cb -0.35 -2.00 0.61 0.00 0.52 0.00 0.00 34.95 33.73 2pys s ARG 24 CO 0.31 -0.94 1.72 1.15 0.02 0.00 0.00 175.30 177.56 2pys h THR 25 N 0.68 0.59 -0.12 0.02 2.02 -1.89 -2.33 112.91 111.89 2pys h THR 25 Ca -0.48 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.53 2pys h THR 25 Cb 1.24 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 2pys h THR 25 CO 0.56 0.09 0.00 0.59 0.37 0.00 0.00 175.52 177.13 2pys n ASN 26 N -4.98 2.91 0.00 4.18 5.03 -1.26 -5.05 115.26 116.09 2pys n ASN 26 Ca 0.19 -1.90 0.00 0.00 0.87 0.00 0.00 54.58 53.74 2pys n ASN 26 Cb 0.53 -0.06 0.00 0.00 -1.02 0.00 0.00 39.78 39.23 2pys n ASN 26 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2pys n GLY 27 N 1.23 3.94 7.00 7.41 0.00 -0.88 -5.16 105.19 118.73 2pys n GLY 27 Ca 0.14 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.47 2pys n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pys n GLY 28 N -1.57 -1.20 3.12 -0.02 0.00 -1.26 -4.36 105.19 99.89 2pys n GLY 28 Ca 0.00 -1.17 -0.17 0.00 0.00 0.00 0.00 46.02 44.69 2pys n GLY 28 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pys s TYR 29 N 0.00 1.02 0.08 1.61 2.02 -1.26 -0.50 117.35 120.32 2pys s TYR 29 Ca 0.00 -0.44 0.07 0.00 -0.37 0.00 0.00 57.07 56.34 2pys s TYR 29 Cb 0.00 -0.59 -0.03 0.00 -0.40 0.00 0.00 41.96 40.94 2pys s TYR 29 CO 0.00 0.01 -0.20 1.21 -1.57 0.00 0.00 175.55 175.00 2pys s ASN 30 N -1.52 2.36 -0.15 2.29 2.47 -0.43 -4.89 114.94 115.07 2pys s ASN 30 Ca -0.04 -0.62 -0.02 0.00 0.42 0.00 0.00 52.86 52.61 2pys s ASN 30 Cb -0.09 -0.15 -0.02 0.00 -1.45 0.00 0.00 41.25 39.54 2pys s ASN 30 CO 0.01 0.07 -0.08 -0.89 -3.72 0.00 0.00 177.10 172.49 2pys s THR 31 N -1.05 3.45 0.14 -5.21 2.01 -1.26 -0.77 115.64 112.95 2pys s THR 31 Ca 0.05 -0.51 -0.01 0.00 0.31 0.00 0.00 61.69 61.53 2pys s THR 31 Cb -0.09 -2.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 2pys s THR 31 CO 0.03 0.50 0.06 -0.94 -0.69 0.00 0.00 174.62 173.59 2pys s SER 32 N 0.47 0.29 0.16 3.53 1.04 -0.88 -5.02 113.70 113.29 2pys s SER 32 Ca -0.06 -1.23 0.07 0.00 0.48 0.00 0.00 55.95 55.20 2pys s SER 32 Cb -0.15 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.23 2pys s SER 32 CO 0.04 -0.74 -0.14 -0.44 0.98 0.00 0.00 173.24 172.93 2pys s SER 33 N -3.06 2.25 -0.02 7.02 0.01 -1.26 -2.01 113.70 116.62 2pys s SER 33 Ca 0.26 -0.91 -0.00 0.00 1.31 0.00 0.00 55.95 56.61 2pys s SER 33 Cb 0.07 -0.09 0.03 0.00 0.21 0.00 0.00 66.02 66.24 2pys s SER 33 CO 0.03 -0.16 0.03 -0.51 0.41 0.00 0.00 173.24 173.04 2pys s ILE 34 N -2.52 -0.06 -0.55 1.44 2.07 -0.15 -4.85 121.20 116.59 2pys s ILE 34 Ca 0.15 0.20 -0.25 0.00 -1.41 0.00 0.00 60.65 59.34 2pys s ILE 34 Cb -0.03 -0.08 0.04 0.00 0.13 0.00 0.00 42.46 42.52 2pys s ILE 34 CO 0.04 0.08 1.00 -0.62 -1.91 0.00 0.00 174.94 173.53 2pys s ASP 35 N 1.00 6.38 0.51 4.50 -1.08 -1.26 -1.68 116.67 125.03 2pys s ASP 35 Ca -0.08 -0.21 0.33 0.00 -0.52 0.00 0.00 52.55 52.07 2pys s ASP 35 Cb -0.12 -2.46 1.52 0.00 -1.46 0.00 0.00 42.92 40.40 2pys s ASP 35 CO -0.03 -1.27 2.00 -0.07 0.52 0.00 0.00 175.17 176.32 2pys h LEU 36 N 11.16 0.00 -2.48 -1.34 3.38 -1.36 -2.75 115.31 121.92 2pys h LEU 36 Ca -0.26 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.73 2pys h LEU 36 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 2pys h LEU 36 CO 1.11 0.00 0.12 -1.13 0.09 0.00 0.00 178.44 178.63 2pys h ASN 37 N 0.00 0.00 0.69 -0.43 -1.24 -1.86 -2.06 115.58 110.68 2pys h ASN 37 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 2pys h ASN 37 Cb 0.33 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.38 2pys h ASN 37 CO 0.00 0.00 -0.10 0.77 -1.29 0.00 0.00 177.43 176.81 2pys h SER 38 N 0.00 0.00 0.00 1.15 4.64 -1.83 -0.59 113.55 116.93 2pys h SER 38 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2pys h SER 38 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2pys h SER 38 CO -0.00 0.10 0.00 1.33 -0.87 0.00 0.00 176.83 177.39 2pys n VAL 39 N -3.34 0.00 -4.63 0.95 0.24 -0.82 -4.67 118.33 106.06 2pys n VAL 39 Ca -0.01 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.05 2pys n VAL 39 Cb 0.30 1.54 -0.16 0.00 -1.47 0.00 0.00 33.84 34.04 2pys n VAL 39 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2pys s ILE 40 N 0.00 1.18 0.20 1.34 1.01 -0.94 -3.57 121.20 120.42 2pys s ILE 40 Ca 0.00 -0.52 0.09 0.00 0.00 0.00 0.00 60.65 60.22 2pys s ILE 40 Cb 0.00 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.36 2pys s ILE 40 CO 0.00 0.36 -0.06 -1.83 0.00 0.00 0.00 174.94 173.41 2pys s GLU 41 N 0.53 2.15 -0.43 2.79 -1.05 -0.08 -2.00 118.70 120.61 2pys s GLU 41 Ca -0.12 -1.29 -0.18 0.00 -0.15 0.00 0.00 54.97 53.22 2pys s GLU 41 Cb -0.15 -2.18 0.03 0.00 -0.44 0.00 0.00 34.13 31.39 2pys s GLU 41 CO 0.03 0.42 0.49 1.21 0.95 0.00 0.00 175.26 178.36 2pys s ASN 42 N -3.05 6.22 -0.55 0.83 2.47 -1.26 -1.43 114.94 118.17 2pys s ASN 42 Ca 0.27 -0.66 -0.11 0.00 0.42 0.00 0.00 52.86 52.78 2pys s ASN 42 Cb -0.08 -2.25 0.14 0.00 -1.45 0.00 0.00 41.25 37.61 2pys s ASN 42 CO 0.17 -0.65 0.45 -0.69 -3.72 0.00 0.00 177.10 172.65 2pys s VAL 43 N 2.28 4.58 -1.43 -5.21 1.01 -0.18 -4.70 120.40 116.76 2pys s VAL 43 Ca 0.14 -1.92 -0.09 0.00 0.00 0.00 0.00 61.98 60.11 2pys s VAL 43 Cb -0.17 -3.97 0.05 0.00 0.00 0.00 0.00 36.38 32.29 2pys s VAL 43 CO 0.14 -0.84 0.98 -0.67 0.00 0.00 0.00 175.10 174.71 2pys n ASP 44 N 4.74 -4.32 0.00 3.32 2.03 -1.26 -1.85 116.55 119.21 2pys n ASP 44 Ca -0.05 -0.72 0.00 0.00 0.52 0.00 0.00 54.79 54.54 2pys n ASP 44 Cb 0.41 -4.25 0.00 0.00 -0.72 0.00 0.00 41.12 36.56 2pys n ASP 44 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pys n GLY 45 N -1.71 0.28 3.45 0.27 0.00 -1.15 -4.54 105.19 101.78 2pys n GLY 45 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 2pys n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pys s SER 46 N -2.28 4.61 0.05 1.61 0.01 -0.77 -4.60 113.70 112.33 2pys s SER 46 Ca 0.00 -0.20 -0.31 0.00 1.31 0.00 0.00 55.95 56.75 2pys s SER 46 Cb 0.00 -1.75 -0.06 0.00 0.21 0.00 0.00 66.02 64.42 2pys s SER 46 CO 0.00 0.14 1.32 -0.76 0.41 0.00 0.00 173.24 174.35 2pys s LEU 47 N 0.54 4.35 0.02 2.44 1.43 -1.26 -1.01 118.68 125.19 2pys s LEU 47 Ca -0.04 2.13 -0.02 0.00 -1.03 0.00 0.00 54.13 55.17 2pys s LEU 47 Cb -0.15 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 2pys s LEU 47 CO 0.03 -0.61 0.02 -0.54 0.23 0.00 0.00 176.35 175.48 2pys s LYS 48 N 1.57 0.43 1.08 1.70 1.02 -0.51 -4.81 119.74 120.22 2pys s LYS 48 Ca 0.62 -0.68 -0.18 0.00 0.02 0.00 0.00 55.97 55.75 2pys s LYS 48 Cb -0.32 0.16 0.25 0.00 -0.52 0.00 0.00 37.83 37.40 2pys s LYS 48 CO 0.28 -0.09 1.23 -1.58 -0.92 0.00 0.00 175.35 174.28 2pys s TRP 49 N -1.99 1.00 -0.73 3.18 0.52 -1.26 -0.90 118.94 118.76 2pys s TRP 49 Ca -0.11 0.37 -0.01 0.00 0.02 0.00 0.00 56.10 56.37 2pys s TRP 49 Cb -0.06 -3.84 0.00 0.00 -1.15 0.00 0.00 33.47 28.42 2pys s TRP 49 CO -0.02 -3.26 0.16 1.04 0.02 0.00 0.00 176.95 174.88 2pys n GLN 50 N -4.25 -1.58 0.00 4.98 1.13 -1.23 -4.70 117.38 111.73 2pys n GLN 50 Ca 0.15 0.42 0.00 0.00 -1.94 0.00 0.00 57.00 55.63 2pys n GLN 50 Cb 0.59 -4.32 0.00 0.00 0.11 0.00 0.00 30.24 26.63 2pys n GLN 50 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pys n GLY 51 N -1.06 1.93 3.84 1.08 0.00 -1.26 -4.97 105.19 104.76 2pys n GLY 51 Ca -0.08 -0.64 -0.07 0.00 0.00 0.00 0.00 46.02 45.23 2pys n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pys s SER 52 N 2.00 -0.26 -0.40 1.61 1.04 -1.25 -2.66 113.70 113.78 2pys s SER 52 Ca 0.00 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.85 2pys s SER 52 Cb 0.00 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.82 2pys s SER 52 CO 0.00 -1.30 0.00 -3.20 0.98 0.00 0.00 173.24 169.72 2pys n ASN 53 N -0.46 -2.14 0.07 7.02 5.15 -0.23 -4.41 115.26 120.26 2pys n ASN 53 Ca -0.04 -0.00 0.13 0.00 -0.60 0.00 0.00 54.58 54.06 2pys n ASN 53 Cb 0.59 -1.49 0.61 0.00 -0.53 0.00 0.00 39.78 38.96 2pys n ASN 53 CO 0.00 0.00 0.00 2.19 1.40 0.00 0.00 177.26 180.85 2pys h PHE 54 N 0.00 0.14 0.00 1.20 -5.15 -1.64 -2.68 116.94 108.81 2pys h PHE 54 Ca -0.11 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.65 2pys h PHE 54 Cb 1.06 -0.05 -0.00 0.00 0.22 0.00 0.00 35.95 37.18 2pys h PHE 54 CO 0.12 0.07 -0.06 0.97 -2.00 0.00 0.00 178.31 177.42 2pys h ILE 55 N 0.14 0.77 -0.13 0.88 6.09 -1.86 -2.29 117.51 121.11 2pys h ILE 55 Ca 0.16 -0.22 0.00 0.00 -1.37 0.00 0.00 64.86 63.43 2pys h ILE 55 Cb 0.48 1.13 -0.01 0.00 0.47 0.00 0.00 36.82 38.89 2pys h ILE 55 CO -0.02 0.06 0.08 -0.08 -3.07 0.00 0.00 178.15 175.12 2pys h GLU 56 N 0.00 0.17 0.00 2.19 4.57 -1.89 -3.14 114.58 116.48 2pys h GLU 56 Ca -0.00 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 2pys h GLU 56 Cb 0.12 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 2pys h GLU 56 CO 0.01 0.11 -0.25 0.25 -1.18 0.00 0.00 179.01 177.95 2pys n THR 57 N -4.52 1.34 -4.16 0.32 -2.24 -0.91 -5.04 114.28 99.08 2pys n THR 57 Ca -0.01 -1.75 -0.10 0.00 -2.27 0.00 0.00 64.05 59.92 2pys n THR 57 Cb 0.08 0.02 -0.10 0.00 -2.10 0.00 0.00 70.33 68.23 2pys n THR 57 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pys s ARG 59 N -3.72 1.58 -1.29 0.00 1.70 0.87 -4.78 118.95 113.32 2pys s ARG 59 Ca 0.10 -1.24 -0.00 0.00 -0.47 0.00 0.00 55.73 54.12 2pys s ARG 59 Cb 0.05 0.48 0.00 0.00 -0.57 0.00 0.00 34.95 34.91 2pys s ARG 59 CO -0.05 -0.67 0.75 0.09 -1.08 0.00 0.00 175.30 174.34 2pys n ASN 60 N -0.42 -1.31 -4.76 -2.89 5.03 -1.26 -1.44 115.26 108.20 2pys n ASN 60 Ca -0.02 -0.79 -0.39 0.00 0.87 0.00 0.00 54.58 54.25 2pys n ASN 60 Cb 0.62 -4.24 -0.04 0.00 -1.02 0.00 0.00 39.78 35.09 2pys n ASN 60 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2pys s THR 61 N -3.62 3.56 0.05 3.41 -4.23 -1.26 -4.37 115.64 109.18 2pys s THR 61 Ca 0.00 1.48 -0.05 0.00 -1.18 0.00 0.00 61.69 61.94 2pys s THR 61 Cb -0.00 -3.90 -0.02 0.00 1.34 0.00 0.00 72.50 69.92 2pys s THR 61 CO 0.80 0.28 0.08 -1.10 -0.54 0.00 0.00 174.62 174.14 2pys s GLN 62 N -1.69 0.62 -0.23 3.99 -0.21 0.87 -4.77 119.66 118.24 2pys s GLN 62 Ca 0.48 -0.87 -0.21 0.00 0.02 0.00 0.00 55.36 54.78 2pys s GLN 62 Cb -0.29 0.24 -0.02 0.00 1.00 0.00 0.00 33.01 33.93 2pys s GLN 62 CO 0.37 -0.15 0.63 -1.17 -2.12 0.00 0.00 175.29 172.85 2pys s LEU 63 N -2.37 4.09 -0.21 2.90 2.96 -1.26 -0.83 118.68 123.96 2pys s LEU 63 Ca -0.01 0.75 -0.06 0.00 -0.22 0.00 0.00 54.13 54.59 2pys s LEU 63 Cb 0.01 -2.87 -0.03 0.00 0.50 0.00 0.00 46.19 43.80 2pys s LEU 63 CO -0.06 -0.34 0.04 0.00 -1.32 0.00 0.00 176.35 174.67 2pys s ALA 64 N 2.31 3.18 0.00 5.97 0.00 0.00 -4.97 121.76 128.25 2pys s ALA 64 Ca 0.27 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.28 2pys s ALA 64 Cb -0.16 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.06 2pys s ALA 64 CO 0.09 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.12 2pys n GLY 65 N 4.21 2.56 0.09 0.00 0.00 -1.26 -2.30 105.19 108.49 2pys n GLY 65 Ca -0.17 -0.39 -0.04 0.00 0.00 0.00 0.00 46.02 45.42 2pys n GLY 65 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2pys h SER 66 N 8.94 0.00 0.00 1.61 0.02 -2.00 -3.43 113.55 118.69 2pys h SER 66 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2pys h SER 66 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2pys h SER 66 CO 0.00 0.80 0.00 -1.54 -1.14 0.00 0.00 176.83 174.95 2pys n SER 67 N -3.14 0.00 -4.72 3.07 3.41 -1.24 -4.84 113.62 106.16 2pys n SER 67 Ca -0.06 -0.93 -0.38 0.00 -0.26 0.00 0.00 58.87 57.25 2pys n SER 67 Cb 0.90 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.79 2pys n SER 67 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2pys s GLU 68 N 0.00 4.31 -0.20 4.33 0.41 -0.97 -0.29 118.70 126.29 2pys s GLU 68 Ca 0.00 0.37 -0.24 0.00 -0.41 0.00 0.00 54.97 54.69 2pys s GLU 68 Cb 0.00 -3.45 -0.01 0.00 -1.78 0.00 0.00 34.13 28.89 2pys s GLU 68 CO 0.00 0.14 0.77 -1.17 -0.49 0.00 0.00 175.26 174.51 2pys s LEU 69 N 0.71 4.14 -0.08 1.80 2.96 -0.05 -0.82 118.68 127.34 2pys s LEU 69 Ca 0.24 1.03 0.03 0.00 -0.22 0.00 0.00 54.13 55.21 2pys s LEU 69 Cb -0.15 -3.12 -0.02 0.00 0.50 0.00 0.00 46.19 43.41 2pys s LEU 69 CO 0.09 -0.40 -0.18 0.00 -1.32 0.00 0.00 176.35 174.54 2pys s ALA 70 N 2.29 2.46 0.27 5.97 0.00 -0.01 -1.29 121.76 131.44 2pys s ALA 70 Ca 0.34 -0.97 -0.04 0.00 0.00 0.00 0.00 51.96 51.30 2pys s ALA 70 Cb -0.16 -0.95 -0.02 0.00 0.00 0.00 0.00 23.12 22.00 2pys s ALA 70 CO 0.10 0.39 0.34 0.00 0.00 0.00 0.00 175.76 176.60 2pys s ALA 71 N -0.12 0.72 -0.21 0.00 0.00 -0.37 -0.09 121.76 121.70 2pys s ALA 71 Ca -0.03 -1.45 -0.05 0.00 0.00 0.00 0.00 51.96 50.43 2pys s ALA 71 Cb -0.14 1.24 -0.02 0.00 0.00 0.00 0.00 23.12 24.20 2pys s ALA 71 CO 0.04 -0.73 0.01 -1.21 0.00 0.00 0.00 175.76 173.87 2pys s GLU 72 N -3.73 3.61 0.02 0.00 2.02 -0.52 -1.59 118.70 118.50 2pys s GLU 72 Ca 0.32 -0.52 0.05 0.00 0.02 0.00 0.00 54.97 54.84 2pys s GLU 72 Cb 0.02 -3.12 -0.02 0.00 0.10 0.00 0.00 34.13 31.11 2pys s GLU 72 CO 0.15 -0.04 -0.16 0.00 0.02 0.00 0.00 175.26 175.23 2pys s LYS 74 N -0.82 4.51 1.15 0.00 1.02 -0.44 -1.39 119.74 123.77 2pys s LYS 74 Ca 0.05 1.52 -0.16 0.00 0.02 0.00 0.00 55.97 57.39 2pys s LYS 74 Cb -0.07 -3.44 0.26 0.00 -0.52 0.00 0.00 37.83 34.06 2pys s LYS 74 CO 0.01 -0.14 1.07 0.95 -0.92 0.00 0.00 175.35 176.32 2pys s THR 75 N 1.14 1.76 0.44 2.17 -4.23 -0.52 -2.96 115.64 113.43 2pys s THR 75 Ca 0.54 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 61.14 2pys s THR 75 Cb -0.23 -2.39 0.26 0.00 1.34 0.00 0.00 72.50 71.48 2pys s THR 75 CO 0.27 0.00 2.08 0.03 -0.54 0.00 0.00 174.62 176.46 2pys h ARG 76 N -2.45 0.40 0.00 3.99 3.08 -1.91 -0.34 114.38 117.16 2pys h ARG 76 Ca -0.51 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.52 2pys h ARG 76 Cb 1.32 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.28 2pys h ARG 76 CO 0.44 0.27 0.00 0.00 -1.07 0.00 0.00 179.97 179.61 2pys n ALA 77 N -2.49 2.02 -2.26 0.04 0.00 -1.26 -4.88 120.51 111.67 2pys n ALA 77 Ca 0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.32 2pys n ALA 77 Cb 0.07 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.23 2pys n ALA 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2pys n GLN 78 N -1.22 -0.73 -3.68 0.00 1.13 -0.14 -5.03 117.38 107.72 2pys n GLN 78 Ca 0.10 0.20 -0.38 0.00 -1.94 0.00 0.00 57.00 54.98 2pys n GLN 78 Cb 0.12 -3.75 -0.12 0.00 0.11 0.00 0.00 30.24 26.60 2pys n GLN 78 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2pys s GLN 79 N -4.52 3.56 0.20 -1.09 2.00 -1.26 -4.88 119.66 113.67 2pys s GLN 79 Ca 0.03 -0.56 -0.31 0.00 -2.00 0.00 0.00 55.36 52.52 2pys s GLN 79 Cb -0.02 -3.50 -0.10 0.00 0.80 0.00 0.00 33.01 30.19 2pys s GLN 79 CO 0.04 -0.30 1.55 -0.06 -0.50 0.00 0.00 175.29 176.02 2pys s PHE 80 N 1.64 3.02 0.07 1.67 0.08 -1.26 -1.44 117.98 121.76 2pys s PHE 80 Ca 0.06 0.72 0.03 0.00 0.12 0.00 0.00 56.93 57.85 2pys s PHE 80 Cb -0.16 -3.92 -0.03 0.00 -0.57 0.00 0.00 43.02 38.33 2pys s PHE 80 CO 0.06 -3.29 -0.08 0.14 -0.10 0.00 0.00 175.22 171.95 2pys s VAL 81 N 0.78 0.70 0.22 -0.44 -7.23 -0.49 -4.91 120.40 109.03 2pys s VAL 81 Ca 0.67 -1.43 -0.30 0.00 -1.81 0.00 0.00 61.98 59.11 2pys s VAL 81 Cb -0.44 -1.08 -0.08 0.00 0.56 0.00 0.00 36.38 35.34 2pys s VAL 81 CO 0.35 -0.54 1.05 -0.44 -0.31 0.00 0.00 175.10 175.21 2pys s SER 82 N -2.15 7.39 0.01 4.85 0.01 -1.26 -1.70 113.70 120.83 2pys s SER 82 Ca -0.01 2.09 -0.12 0.00 1.31 0.00 0.00 55.95 59.22 2pys s SER 82 Cb -0.04 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.59 2pys s SER 82 CO -0.01 -0.08 0.24 0.28 0.41 0.00 0.00 173.24 174.08 2pys s THR 83 N -0.76 0.08 0.04 1.44 -1.32 -0.62 -4.95 115.64 109.55 2pys s THR 83 Ca 0.45 -0.62 -0.00 0.00 -1.21 0.00 0.00 61.69 60.30 2pys s THR 83 Cb -0.29 -0.65 -0.03 0.00 -1.51 0.00 0.00 72.50 70.02 2pys s THR 83 CO 0.36 -0.34 -0.03 -1.59 -2.21 0.00 0.00 174.62 170.80 2pys s LYS 84 N -1.67 0.51 -0.03 7.08 -2.85 -1.26 -1.23 119.74 120.29 2pys s LYS 84 Ca -0.12 -1.00 -0.02 0.00 -1.00 0.00 0.00 55.97 53.83 2pys s LYS 84 Cb -0.05 0.15 0.01 0.00 -2.06 0.00 0.00 37.83 35.88 2pys s LYS 84 CO 0.01 -0.08 0.07 -1.50 0.10 0.00 0.00 175.35 173.95 2pys s ILE 85 N -2.98 -0.01 -0.42 3.79 2.07 -0.41 -4.70 121.20 118.54 2pys s ILE 85 Ca -0.01 0.03 -0.28 0.00 -1.41 0.00 0.00 60.65 58.98 2pys s ILE 85 Cb 0.01 -0.11 0.02 0.00 0.13 0.00 0.00 42.46 42.51 2pys s ILE 85 CO -0.06 0.01 1.04 0.21 -1.91 0.00 0.00 174.94 174.23 2pys s ASN 86 N 0.19 6.68 0.38 4.50 3.84 -1.26 -0.87 114.94 128.40 2pys s ASN 86 Ca -0.01 0.55 0.28 0.00 0.21 0.00 0.00 52.86 53.89 2pys s ASN 86 Cb -0.02 -2.51 1.19 0.00 -0.55 0.00 0.00 41.25 39.36 2pys s ASN 86 CO -0.01 -1.05 1.83 -0.07 -2.79 0.00 0.00 177.10 175.01 2pys h LEU 87 N 10.60 0.00 -1.72 3.21 3.38 -1.01 -1.86 115.31 127.91 2pys h LEU 87 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2pys h LEU 87 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2pys h LEU 87 CO 1.06 0.00 0.00 0.44 0.09 0.00 0.00 178.44 180.03 2pys h ASP 88 N 0.00 0.00 -0.74 -0.43 3.32 -1.82 -0.32 116.42 116.43 2pys h ASP 88 Ca 0.00 0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.12 2pys h ASP 88 Cb 0.37 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.86 2pys h ASP 88 CO 0.00 0.00 0.42 0.44 -1.72 0.00 0.00 179.24 178.38 2pys h ASP 89 N 0.00 0.63 0.00 6.45 3.32 -1.72 -0.50 116.42 124.60 2pys h ASP 89 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2pys h ASP 89 Cb 0.28 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2pys h ASP 89 CO 0.00 0.39 -0.01 1.41 -1.72 0.00 0.00 179.24 179.31 2pys n HIS 90 N -4.75 0.00 -3.35 4.55 8.25 -1.13 -4.26 115.22 114.54 2pys n HIS 90 Ca 0.10 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.18 2pys n HIS 90 Cb 0.20 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.23 2pys n HIS 90 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2pys s ILE 91 N -0.23 5.16 0.22 1.59 -1.09 -0.15 -0.38 121.20 126.32 2pys s ILE 91 Ca 0.00 0.71 0.08 0.00 -2.23 0.00 0.00 60.65 59.21 2pys s ILE 91 Cb 0.00 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.09 2pys s ILE 91 CO 0.00 0.18 0.03 0.00 -1.23 0.00 0.00 174.94 173.92 2pys s ALA 92 N 1.79 3.24 -0.40 9.38 0.00 -0.34 -1.50 121.76 133.93 2pys s ALA 92 Ca 0.18 -1.50 -0.14 0.00 0.00 0.00 0.00 51.96 50.50 2pys s ALA 92 Cb -0.15 -0.94 0.01 0.00 0.00 0.00 0.00 23.12 22.04 2pys s ALA 92 CO 0.09 0.36 0.28 0.00 0.00 0.00 0.00 175.76 176.49 2pys s ALA 93 N -2.04 3.47 -0.38 0.00 0.00 -1.26 -1.61 121.76 119.94 2pys s ALA 93 Ca 0.30 -1.66 -0.05 0.00 0.00 0.00 0.00 51.96 50.55 2pys s ALA 93 Cb -0.08 -2.83 0.08 0.00 0.00 0.00 0.00 23.12 20.29 2pys s ALA 93 CO 0.20 -1.37 0.17 0.42 0.00 0.00 0.00 175.76 175.18 2pys s ILE 94 N 1.68 3.55 -1.46 0.00 1.01 0.36 -4.57 121.20 121.77 2pys s ILE 94 Ca 0.05 -1.62 -0.01 0.00 0.00 0.00 0.00 60.65 59.07 2pys s ILE 94 Cb -0.19 -3.23 0.01 0.00 0.01 0.00 0.00 42.46 39.06 2pys s ILE 94 CO 0.10 -0.46 0.30 -0.67 0.00 0.00 0.00 174.94 174.21 2pys n ASP 95 N 4.72 -0.01 0.00 3.58 2.03 -1.26 -2.02 116.55 123.60 2pys n ASP 95 Ca -0.08 -1.09 0.00 0.00 0.52 0.00 0.00 54.79 54.14 2pys n ASP 95 Cb 0.43 -2.58 0.00 0.00 -0.72 0.00 0.00 41.12 38.25 2pys n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pys n GLY 96 N -2.15 0.53 3.16 0.27 0.00 -1.24 -4.57 105.19 101.19 2pys n GLY 96 Ca -0.30 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.45 2pys n GLY 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pys s THR 97 N -2.18 1.55 0.05 2.61 2.01 -0.85 -4.40 115.64 114.41 2pys s THR 97 Ca 0.00 -0.79 -0.30 0.00 0.31 0.00 0.00 61.69 60.91 2pys s THR 97 Cb 0.00 -1.32 -0.05 0.00 0.01 0.00 0.00 72.50 71.14 2pys s THR 97 CO 0.00 0.44 1.07 -0.76 -0.69 0.00 0.00 174.62 174.69 2pys s LEU 98 N -0.03 4.39 -0.05 4.42 1.43 -1.26 -0.48 118.68 127.09 2pys s LEU 98 Ca -0.03 1.85 -0.07 0.00 -1.03 0.00 0.00 54.13 54.85 2pys s LEU 98 Cb -0.12 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.54 2pys s LEU 98 CO 0.02 -0.32 0.17 -0.54 0.23 0.00 0.00 176.35 175.91 2pys s LYS 99 N 0.82 0.28 0.20 1.70 -0.14 -0.63 -4.84 119.74 117.13 2pys s LYS 99 Ca 0.54 0.10 -0.30 0.00 -1.36 0.00 0.00 55.97 54.95 2pys s LYS 99 Cb -0.25 0.13 -0.08 0.00 -1.68 0.00 0.00 37.83 35.94 2pys s LYS 99 CO 0.29 -0.05 1.20 -0.47 -0.76 0.00 0.00 175.35 175.56 2pys s TYR 100 N -0.25 3.42 0.05 3.18 5.04 -1.26 -1.19 117.35 126.34 2pys s TYR 100 Ca -0.03 1.45 0.04 0.00 -2.44 0.00 0.00 57.07 56.09 2pys s TYR 100 Cb -0.03 -3.43 -0.02 0.00 0.35 0.00 0.00 41.96 38.82 2pys s TYR 100 CO 0.01 -1.19 -0.13 -1.21 -1.34 0.00 0.00 175.55 171.69 2pys s GLU 101 N -0.46 0.80 1.00 4.97 0.41 0.49 -4.93 118.70 120.98 2pys s GLU 101 Ca 0.52 -0.80 -0.17 0.00 -0.41 0.00 0.00 54.97 54.10 2pys s GLU 101 Cb -0.33 -0.77 0.24 0.00 -1.78 0.00 0.00 34.13 31.49 2pys s GLU 101 CO 0.38 0.18 1.13 1.28 -0.49 0.00 0.00 175.26 177.73 2pys n LEU 102 N 1.65 0.00 -1.39 1.80 4.77 -1.26 -4.73 117.00 117.84 2pys n LEU 102 Ca -0.20 -1.22 -0.01 0.00 -0.03 0.00 0.00 56.01 54.56 2pys n LEU 102 Cb 0.55 -0.93 0.19 0.00 -2.33 0.00 0.00 43.42 40.90 2pys n LEU 102 CO 0.22 -1.69 0.69 -1.84 -1.33 0.00 0.00 177.39 173.44 2pys n GLU 103 N -4.04 2.80 0.00 3.23 0.00 -1.26 -4.76 120.64 116.62 2pys n GLU 103 Ca 0.15 -1.75 0.00 0.00 0.00 0.00 0.00 57.16 55.56 2pys n GLU 103 Cb 0.54 -1.86 0.00 0.00 0.00 0.00 0.00 31.44 30.11 2pys n GLU 103 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74