#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cdp n THR 2 N 0.00 1.91 -3.55 6.66 -1.04 -1.26 -4.80 114.28 112.20 2cdp n THR 2 Ca 0.00 -0.48 -0.13 0.00 -2.04 0.00 0.00 64.05 61.40 2cdp n THR 2 Cb 0.00 -1.60 -0.05 0.00 -1.82 0.00 0.00 70.33 66.85 2cdp n THR 2 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2cdp s ALA 3 N -1.00 -1.86 -0.19 2.41 0.00 -1.26 -4.96 121.76 114.90 2cdp s ALA 3 Ca 0.56 1.44 -0.08 0.00 0.00 0.00 0.00 51.96 53.88 2cdp s ALA 3 Cb -0.57 -0.36 0.07 0.00 0.00 0.00 0.00 23.12 22.26 2cdp s ALA 3 CO 0.61 -0.36 0.43 0.45 0.00 0.00 0.00 175.76 176.89 2cdp s SER 4 N -1.23 -0.42 -0.19 0.00 0.15 -1.26 -1.19 113.70 109.56 2cdp s SER 4 Ca -0.05 0.97 -0.01 0.00 0.70 0.00 0.00 55.95 57.56 2cdp s SER 4 Cb -0.00 1.07 0.05 0.00 -1.71 0.00 0.00 66.02 65.43 2cdp s SER 4 CO 0.04 -0.21 -0.03 -0.63 1.20 0.00 0.00 173.24 173.60 2cdp s ILE 5 N 1.98 1.10 -0.17 6.45 1.01 -0.39 -4.98 121.20 126.19 2cdp s ILE 5 Ca -0.06 -0.78 -0.09 0.00 0.00 0.00 0.00 60.65 59.72 2cdp s ILE 5 Cb -0.10 -1.37 -0.05 0.00 0.01 0.00 0.00 42.46 40.95 2cdp s ILE 5 CO -0.13 -0.01 0.14 0.00 0.00 0.00 0.00 174.94 174.94 2cdp s ALA 6 N 1.62 3.75 -0.13 9.38 0.00 -1.26 -0.68 121.76 134.43 2cdp s ALA 6 Ca -0.01 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.29 2cdp s ALA 6 Cb -0.17 -2.11 0.02 0.00 0.00 0.00 0.00 23.12 20.86 2cdp s ALA 6 CO -0.07 0.31 -0.15 0.08 0.00 0.00 0.00 175.76 175.93 2cdp s VAL 7 N -0.10 1.57 -0.10 0.00 1.01 0.16 -5.00 120.40 117.94 2cdp s VAL 7 Ca 0.11 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 2cdp s VAL 7 Cb -0.11 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 2cdp s VAL 7 CO 0.00 0.46 1.15 -1.61 0.00 0.00 0.00 175.10 175.09 2cdp s GLU 8 N 1.21 4.34 0.37 2.72 0.41 -1.26 -1.28 118.70 125.21 2cdp s GLU 8 Ca -0.01 1.57 0.09 0.00 -0.41 0.00 0.00 54.97 56.21 2cdp s GLU 8 Cb -0.14 -3.59 0.84 0.00 -1.78 0.00 0.00 34.13 29.46 2cdp s GLU 8 CO -0.06 -0.47 1.91 0.00 -0.49 0.00 0.00 175.26 176.16 2cdp h ALA 9 N 7.47 1.85 0.00 5.21 0.00 -1.58 0.17 119.26 132.38 2cdp h ALA 9 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2cdp h ALA 9 Cb 1.14 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2cdp h ALA 9 CO 0.90 -0.04 0.00 -0.85 0.00 0.00 0.00 179.25 179.25 2cdp n GLU 10 N -4.52 0.02 -1.00 0.00 0.00 -1.26 -3.11 120.64 110.78 2cdp n GLU 10 Ca 0.14 0.36 -0.16 0.00 0.00 0.00 0.00 57.16 57.50 2cdp n GLU 10 Cb 0.40 -1.55 0.19 0.00 0.00 0.00 0.00 31.44 30.48 2cdp n GLU 10 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2cdp n ASN 11 N -1.59 3.88 -4.70 -1.84 3.02 0.59 -4.97 115.26 109.65 2cdp n ASN 11 Ca 0.02 -3.27 -0.34 0.00 -0.03 0.00 0.00 54.58 50.96 2cdp n ASN 11 Cb 0.12 -0.77 0.12 0.00 -0.61 0.00 0.00 39.78 38.64 2cdp n ASN 11 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2cdp s PHE 12 N -2.75 1.82 0.09 3.10 -0.12 -1.18 -4.93 117.98 114.01 2cdp s PHE 12 Ca 0.48 1.65 -0.02 0.00 -0.05 0.00 0.00 56.93 58.99 2cdp s PHE 12 Cb 0.40 -3.52 -0.24 0.00 -0.63 0.00 0.00 43.02 39.03 2cdp s PHE 12 CO 0.10 -2.89 1.19 -0.91 -0.05 0.00 0.00 175.22 172.66 2cdp h ASN 13 N -0.72 0.35 -4.73 1.98 4.21 -0.62 -3.48 115.58 112.57 2cdp h ASN 13 Ca -0.47 -0.36 0.01 0.00 1.21 0.00 0.00 56.30 56.69 2cdp h ASN 13 Cb 1.30 -0.11 -0.18 0.00 -1.12 0.00 0.00 38.32 38.21 2cdp h ASN 13 CO 0.47 1.26 0.34 0.00 -1.29 0.00 0.00 177.43 178.21 2cdp s ALA 14 N -2.74 -1.78 0.12 -0.83 0.00 -1.22 -5.01 121.76 110.29 2cdp s ALA 14 Ca -0.03 1.14 0.04 0.00 0.00 0.00 0.00 51.96 53.11 2cdp s ALA 14 Cb 0.08 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 2cdp s ALA 14 CO 0.87 -0.51 -0.11 0.14 0.00 0.00 0.00 175.76 176.15 2cdp s VAL 15 N -2.12 1.10 0.18 0.00 -7.23 -1.26 -0.64 120.40 110.42 2cdp s VAL 15 Ca -0.03 -1.77 -0.18 0.00 -1.81 0.00 0.00 61.98 58.18 2cdp s VAL 15 Cb -0.01 -1.54 0.04 0.00 0.56 0.00 0.00 36.38 35.44 2cdp s VAL 15 CO -0.01 -0.57 0.52 -0.83 -0.31 0.00 0.00 175.10 173.90 2cdp s GLY 16 N -2.64 -0.23 0.00 2.32 0.00 -0.57 -4.86 107.32 101.33 2cdp s GLY 16 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 44.72 44.77 2cdp s GLY 16 CO 0.01 -0.18 0.00 0.61 0.00 0.00 0.00 173.10 173.54 2cdp n GLY 17 N -0.33 4.09 0.10 0.20 0.00 -1.26 -1.10 105.19 106.88 2cdp n GLY 17 Ca -0.12 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 44.96 2cdp n GLY 17 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2cdp n THR 18 N -1.44 1.53 -1.68 2.61 -2.24 -1.26 -4.85 114.28 106.96 2cdp n THR 18 Ca 0.00 -0.80 -0.46 0.00 -2.27 0.00 0.00 64.05 60.52 2cdp n THR 18 Cb 0.00 -0.88 -0.04 0.00 -2.10 0.00 0.00 70.33 67.31 2cdp n THR 18 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2cdp n PHE 19 N -2.97 2.34 -2.60 4.78 7.35 -1.26 -4.84 117.46 120.25 2cdp n PHE 19 Ca -0.26 0.18 -0.41 0.00 -0.76 0.00 0.00 57.45 56.20 2cdp n PHE 19 Cb 1.09 -2.58 -0.03 0.00 0.35 0.00 0.00 39.48 38.31 2cdp n PHE 19 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2cdp s SER 20 N 1.57 6.18 0.00 -2.13 0.01 -1.26 -4.80 113.70 113.27 2cdp s SER 20 Ca 0.81 -0.50 0.11 0.00 1.31 0.00 0.00 55.95 57.69 2cdp s SER 20 Cb -0.66 -2.54 0.17 0.00 0.21 0.00 0.00 66.02 63.21 2cdp s SER 20 CO 0.40 -1.76 1.01 -0.90 0.41 0.00 0.00 173.24 172.39 2cdp n ASP 21 N 9.09 2.32 -0.02 2.44 5.68 -1.26 -5.01 116.55 129.79 2cdp n ASP 21 Ca 0.02 -1.66 -0.00 0.00 -0.50 0.00 0.00 54.79 52.65 2cdp n ASP 21 Cb 0.48 -0.08 -0.00 0.00 -1.14 0.00 0.00 41.12 40.38 2cdp n ASP 21 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2cdp n GLY 22 N 0.62 0.33 3.99 6.12 0.00 -1.26 -5.02 105.19 109.97 2cdp n GLY 22 Ca 0.09 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 2cdp n GLY 22 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2cdp s GLN 23 N -0.81 2.70 0.14 1.61 -1.52 -1.26 -5.01 119.66 115.50 2cdp s GLN 23 Ca 0.00 -0.97 -0.13 0.00 -1.95 0.00 0.00 55.36 52.31 2cdp s GLN 23 Cb 0.00 -2.61 0.01 0.00 -0.22 0.00 0.00 33.01 30.18 2cdp s GLN 23 CO 0.00 -0.49 1.60 0.00 -0.25 0.00 0.00 175.29 176.14 2cdp h ALA 24 N 0.34 0.62 -3.14 6.09 0.00 -1.96 -3.44 119.26 117.77 2cdp h ALA 24 Ca -0.41 -0.27 -0.65 0.00 0.00 0.00 0.00 54.91 53.58 2cdp h ALA 24 Cb 1.29 -0.17 -0.17 0.00 0.00 0.00 0.00 17.79 18.73 2cdp h ALA 24 CO 0.49 0.41 -0.79 -0.65 0.00 0.00 0.00 179.25 178.71 2cdp s GLN 25 N -5.04 1.67 0.49 0.00 -1.52 -1.26 -5.03 119.66 108.98 2cdp s GLN 25 Ca -0.13 -1.45 0.33 0.00 -1.95 0.00 0.00 55.36 52.16 2cdp s GLN 25 Cb 0.11 -1.94 1.67 0.00 -0.22 0.00 0.00 33.01 32.64 2cdp s GLN 25 CO 0.81 0.41 2.01 -1.35 -0.25 0.00 0.00 175.29 176.92 2cdp h PRO 26 N 3.12 0.00 -3.96 2.91 0.11 -1.88 -3.40 132.00 128.89 2cdp h PRO 26 Ca -0.46 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.38 2cdp h PRO 26 Cb 1.21 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 32.03 2cdp h PRO 26 CO 0.50 0.00 -0.73 0.08 -0.21 0.00 0.00 178.00 177.63 2cdp s VAL 27 N -3.77 0.16 0.39 3.15 1.01 -1.26 -4.70 120.40 115.38 2cdp s VAL 27 Ca -0.02 -0.09 0.08 0.00 0.00 0.00 0.00 61.98 61.96 2cdp s VAL 27 Cb 0.10 -0.15 -0.06 0.00 0.00 0.00 0.00 36.38 36.27 2cdp s VAL 27 CO 0.38 0.05 0.05 -0.44 0.00 0.00 0.00 175.10 175.14 2cdp s SER 28 N -0.03 4.10 -0.05 3.32 0.01 -0.61 -4.97 113.70 115.47 2cdp s SER 28 Ca 0.01 -1.17 0.04 0.00 1.31 0.00 0.00 55.95 56.14 2cdp s SER 28 Cb -0.01 -0.45 -0.02 0.00 0.21 0.00 0.00 66.02 65.74 2cdp s SER 28 CO -0.00 -0.40 -0.17 -0.69 0.41 0.00 0.00 173.24 172.39 2cdp s VAL 29 N -2.62 2.82 0.27 3.43 1.01 -1.26 -0.90 120.40 123.16 2cdp s VAL 29 Ca 0.36 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 2cdp s VAL 29 Cb 0.05 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 2cdp s VAL 29 CO 0.20 0.58 0.35 -0.72 0.00 0.00 0.00 175.10 175.51 2cdp s TYR 30 N -0.62 1.00 0.01 5.22 -0.85 0.25 -4.93 117.35 117.44 2cdp s TYR 30 Ca 0.09 -1.22 0.03 0.00 -0.52 0.00 0.00 57.07 55.45 2cdp s TYR 30 Cb -0.11 -0.24 -0.01 0.00 0.38 0.00 0.00 41.96 41.98 2cdp s TYR 30 CO 0.01 -0.92 -0.10 0.99 -1.52 0.00 0.00 175.55 174.01 2cdp s THR 31 N -3.68 0.81 -0.12 -3.49 2.01 -1.26 -0.14 115.64 109.77 2cdp s THR 31 Ca 0.32 -0.59 -0.06 0.00 0.31 0.00 0.00 61.69 61.68 2cdp s THR 31 Cb 0.02 -0.71 0.05 0.00 0.01 0.00 0.00 72.50 71.87 2cdp s THR 31 CO 0.16 0.12 0.27 0.54 -0.69 0.00 0.00 174.62 175.02 2cdp s VAL 32 N -0.45 -0.08 -1.45 3.82 0.11 -0.45 -4.92 120.40 116.98 2cdp s VAL 32 Ca 0.02 0.15 -0.10 0.00 -2.93 0.00 0.00 61.98 59.12 2cdp s VAL 32 Cb -0.05 -0.42 0.06 0.00 -1.53 0.00 0.00 36.38 34.44 2cdp s VAL 32 CO 0.00 0.06 0.76 0.59 -3.33 0.00 0.00 175.10 173.18 2cdp n ASN 33 N 4.35 -4.91 0.00 3.54 3.02 -1.26 -0.29 115.26 119.70 2cdp n ASN 33 Ca -0.23 -0.53 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 2cdp n ASN 33 Cb 0.53 -3.96 0.00 0.00 -0.61 0.00 0.00 39.78 35.74 2cdp n ASN 33 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cdp n GLY 34 N -1.52 2.36 3.60 7.41 0.00 -1.26 -5.00 105.19 110.78 2cdp n GLY 34 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2cdp n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2cdp s ASN 35 N -3.64 6.45 -0.06 1.61 0.02 0.60 -5.06 114.94 114.86 2cdp s ASN 35 Ca 0.00 0.44 -0.16 0.00 -1.02 0.00 0.00 52.86 52.12 2cdp s ASN 35 Cb 0.00 -2.30 -0.05 0.00 0.02 0.00 0.00 41.25 38.92 2cdp s ASN 35 CO 0.00 -0.38 0.41 -0.89 0.02 0.00 0.00 177.10 176.26 2cdp s THR 36 N 2.44 5.12 0.20 1.60 2.01 -1.26 -1.34 115.64 124.40 2cdp s THR 36 Ca 0.23 0.83 -0.08 0.00 0.31 0.00 0.00 61.69 62.98 2cdp s THR 36 Cb -0.15 -3.73 -0.02 0.00 0.01 0.00 0.00 72.50 68.61 2cdp s THR 36 CO 0.10 0.47 0.30 0.00 -0.69 0.00 0.00 174.62 174.81 2cdp s ALA 37 N -0.31 0.23 -0.08 7.40 0.00 0.80 -4.59 121.76 125.21 2cdp s ALA 37 Ca 0.23 -1.10 -0.09 0.00 0.00 0.00 0.00 51.96 51.01 2cdp s ALA 37 Cb -0.16 1.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.97 2cdp s ALA 37 CO 0.11 -0.69 0.22 0.96 0.00 0.00 0.00 175.76 176.35 2cdp s ILE 38 N -4.03 5.37 0.00 0.00 -4.36 -0.34 -0.58 121.20 117.25 2cdp s ILE 38 Ca 0.24 0.37 0.00 0.00 -0.26 0.00 0.00 60.65 61.01 2cdp s ILE 38 Cb 0.03 -3.49 0.00 0.00 1.25 0.00 0.00 42.46 40.25 2cdp s ILE 38 CO 0.06 0.59 0.00 -0.46 0.24 0.00 0.00 174.94 175.37 2cdp n ASN 39 N 1.88 0.00 -3.53 4.36 6.94 -0.07 -1.59 115.26 123.24 2cdp n ASN 39 Ca -0.18 -0.90 -0.26 0.00 -0.02 0.00 0.00 54.58 53.22 2cdp n ASN 39 Cb 0.54 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.97 2cdp n ASN 39 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 2cdp n TYR 40 N 0.00 -1.92 -2.86 -2.53 4.01 -1.26 -1.57 117.16 111.03 2cdp n TYR 40 Ca 0.00 0.61 -0.43 0.00 -0.16 0.00 0.00 57.90 57.92 2cdp n TYR 40 Cb 0.00 -3.36 -0.04 0.00 -0.31 0.00 0.00 39.34 35.63 2cdp n TYR 40 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2cdp s VAL 41 N -3.08 4.56 0.48 -0.72 1.01 -1.26 -4.47 120.40 116.92 2cdp s VAL 41 Ca 0.49 0.79 0.08 0.00 0.00 0.00 0.00 61.98 63.34 2cdp s VAL 41 Cb -0.25 -4.37 0.03 0.00 0.00 0.00 0.00 36.38 31.79 2cdp s VAL 41 CO 0.60 -0.71 0.58 0.20 0.00 0.00 0.00 175.10 175.77 2cdp s ASN 42 N 2.11 5.27 0.20 3.32 -0.87 -1.26 -1.07 114.94 122.64 2cdp s ASN 42 Ca 0.35 -0.70 -0.32 0.00 -1.57 0.00 0.00 52.86 50.63 2cdp s ASN 42 Cb -0.11 -0.25 -0.12 0.00 -0.02 0.00 0.00 41.25 40.75 2cdp s ASN 42 CO 0.23 -0.95 1.73 1.67 -2.57 0.00 0.00 177.10 177.21 2cdp n GLN 43 N -1.90 2.74 0.00 -0.60 7.27 -0.14 -1.68 117.38 123.07 2cdp n GLN 43 Ca 0.09 0.99 0.00 0.00 0.07 0.00 0.00 57.00 58.14 2cdp n GLN 43 Cb 0.61 -2.83 0.00 0.00 2.41 0.00 0.00 30.24 30.42 2cdp n GLN 43 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2cdp n GLY 44 N 3.96 1.89 3.77 1.69 0.00 -0.07 -4.62 105.19 111.81 2cdp n GLY 44 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 2cdp n GLY 44 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cdp s ASP 45 N -2.79 4.83 0.16 1.61 1.01 -0.67 -4.58 116.67 116.24 2cdp s ASP 45 Ca 0.00 1.89 -0.15 0.00 0.71 0.00 0.00 52.55 54.99 2cdp s ASP 45 Cb 0.00 -2.53 0.02 0.00 1.01 0.00 0.00 42.92 41.42 2cdp s ASP 45 CO 0.00 -1.82 0.43 -0.72 0.21 0.00 0.00 175.17 173.28 2cdp s TYR 46 N -2.66 -0.07 -0.04 4.23 -0.85 -0.26 0.12 117.35 117.83 2cdp s TYR 46 Ca 0.63 -0.27 0.01 0.00 -0.52 0.00 0.00 57.07 56.92 2cdp s TYR 46 Cb -0.18 0.26 0.02 0.00 0.38 0.00 0.00 41.96 42.45 2cdp s TYR 46 CO 0.49 -0.80 -0.02 0.00 -1.52 0.00 0.00 175.55 173.70 2cdp s ALA 47 N -3.86 0.51 -0.08 9.51 0.00 -0.16 -1.51 121.76 126.17 2cdp s ALA 47 Ca 0.08 0.04 -0.05 0.00 0.00 0.00 0.00 51.96 52.03 2cdp s ALA 47 Cb 0.01 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 2cdp s ALA 47 CO -0.06 -0.05 0.12 -0.51 0.00 0.00 0.00 175.76 175.26 2cdp s ASP 48 N 0.99 6.14 0.01 0.00 1.01 0.19 -0.63 116.67 124.38 2cdp s ASP 48 Ca -0.10 0.36 0.01 0.00 0.71 0.00 0.00 52.55 53.54 2cdp s ASP 48 Cb -0.14 -1.92 -0.01 0.00 1.01 0.00 0.00 42.92 41.86 2cdp s ASP 48 CO -0.01 0.36 -0.05 -0.31 0.21 0.00 0.00 175.17 175.37 2cdp s TYR 49 N -1.08 0.45 -0.19 4.23 2.02 0.61 0.21 117.35 123.60 2cdp s TYR 49 Ca 0.18 -0.22 -0.05 0.00 -0.37 0.00 0.00 57.07 56.61 2cdp s TYR 49 Cb -0.12 -0.29 -0.03 0.00 -0.40 0.00 0.00 41.96 41.12 2cdp s TYR 49 CO 0.08 -0.04 0.01 0.99 -1.57 0.00 0.00 175.55 175.02 2cdp s THR 50 N -0.53 4.21 -0.11 -0.71 2.01 -1.26 -0.54 115.64 118.70 2cdp s THR 50 Ca -0.03 -0.23 0.00 0.00 0.31 0.00 0.00 61.69 61.74 2cdp s THR 50 Cb -0.04 -2.89 0.02 0.00 0.01 0.00 0.00 72.50 69.60 2cdp s THR 50 CO -0.00 0.45 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.65 2cdp s ILE 51 N 0.67 1.17 0.04 1.82 1.01 0.30 -4.96 121.20 121.26 2cdp s ILE 51 Ca 0.00 -0.41 -0.24 0.00 0.00 0.00 0.00 60.65 60.01 2cdp s ILE 51 Cb -0.14 -1.13 -0.06 0.00 0.01 0.00 0.00 42.46 41.14 2cdp s ILE 51 CO 0.02 0.38 0.73 0.00 0.00 0.00 0.00 174.94 176.08 2cdp s ALA 52 N 1.40 3.39 -0.24 9.38 0.00 -1.26 -0.70 121.76 133.73 2cdp s ALA 52 Ca 0.00 0.24 -0.00 0.00 0.00 0.00 0.00 51.96 52.20 2cdp s ALA 52 Cb -0.13 -2.95 0.07 0.00 0.00 0.00 0.00 23.12 20.11 2cdp s ALA 52 CO -0.06 0.09 -0.01 0.08 0.00 0.00 0.00 175.76 175.87 2cdp s VAL 53 N -0.11 1.26 0.11 0.00 1.01 0.77 -4.99 120.40 118.44 2cdp s VAL 53 Ca 0.37 -1.17 -0.07 0.00 0.00 0.00 0.00 61.98 61.11 2cdp s VAL 53 Cb -0.20 -1.66 -0.21 0.00 0.00 0.00 0.00 36.38 34.31 2cdp s VAL 53 CO 0.22 -0.24 1.26 0.00 0.00 0.00 0.00 175.10 176.34 2cdp h ALA 54 N 8.02 0.28 -3.08 5.51 0.00 -1.90 0.16 119.26 128.24 2cdp h ALA 54 Ca -0.16 -0.73 -0.67 0.00 0.00 0.00 0.00 54.91 53.35 2cdp h ALA 54 Cb 1.07 0.01 -0.28 0.00 0.00 0.00 0.00 17.79 18.59 2cdp h ALA 54 CO 0.41 0.80 -0.68 -1.14 0.00 0.00 0.00 179.25 178.64 2cdp s GLN 55 N -3.20 3.11 0.47 0.00 2.00 -1.26 -4.77 119.66 116.00 2cdp s GLN 55 Ca -0.07 -0.82 -0.23 0.00 -2.00 0.00 0.00 55.36 52.24 2cdp s GLN 55 Cb 0.08 -3.19 -0.07 0.00 0.80 0.00 0.00 33.01 30.63 2cdp s GLN 55 CO 0.88 -0.37 1.20 0.00 -0.50 0.00 0.00 175.29 176.50 2cdp s ALA 56 N 1.45 2.97 0.00 1.58 0.00 -1.26 -4.73 121.76 121.77 2cdp s ALA 56 Ca 0.03 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.00 2cdp s ALA 56 Cb -0.16 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2cdp s ALA 56 CO -0.01 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.40 2cdp n GLY 57 N 0.51 0.34 3.43 0.00 0.00 -0.47 -4.96 105.19 104.05 2cdp n GLY 57 Ca 0.07 -0.97 -0.44 0.00 0.00 0.00 0.00 46.02 44.68 2cdp n GLY 57 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2cdp s ASN 58 N 0.00 6.58 0.32 1.61 2.47 -1.26 -0.56 114.94 124.10 2cdp s ASN 58 Ca 0.00 -1.99 -0.27 0.00 0.42 0.00 0.00 52.86 51.02 2cdp s ASN 58 Cb 0.00 -2.38 -0.09 0.00 -1.45 0.00 0.00 41.25 37.33 2cdp s ASN 58 CO 0.00 -1.05 1.04 -0.31 -3.72 0.00 0.00 177.10 173.06 2cdp s TYR 59 N 2.55 3.54 0.01 0.43 2.02 0.30 -4.75 117.35 121.45 2cdp s TYR 59 Ca 0.29 1.72 -0.17 0.00 -0.37 0.00 0.00 57.07 58.54 2cdp s TYR 59 Cb -0.07 -3.13 -0.06 0.00 -0.40 0.00 0.00 41.96 38.29 2cdp s TYR 59 CO -0.07 -0.33 0.49 0.99 -1.57 0.00 0.00 175.55 175.06 2cdp s THR 60 N -1.41 4.94 -0.21 -0.71 2.01 0.87 -0.32 115.64 120.81 2cdp s THR 60 Ca 0.50 1.02 -0.10 0.00 0.31 0.00 0.00 61.69 63.41 2cdp s THR 60 Cb -0.26 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 2cdp s THR 60 CO 0.32 0.52 0.15 -0.63 -0.69 0.00 0.00 174.62 174.30 2cdp s ILE 61 N -0.76 5.39 -0.04 1.82 1.01 0.12 -0.29 121.20 128.44 2cdp s ILE 61 Ca 0.26 0.21 0.04 0.00 0.00 0.00 0.00 60.65 61.17 2cdp s ILE 61 Cb -0.18 -3.49 -0.00 0.00 0.01 0.00 0.00 42.46 38.80 2cdp s ILE 61 CO 0.15 0.41 -0.16 -0.94 0.00 0.00 0.00 174.94 174.40 2cdp s SER 62 N 0.59 2.01 0.01 3.58 1.04 -0.19 -0.19 113.70 120.55 2cdp s SER 62 Ca 0.08 -0.33 0.02 0.00 0.48 0.00 0.00 55.95 56.21 2cdp s SER 62 Cb -0.12 -0.59 -0.04 0.00 0.10 0.00 0.00 66.02 65.37 2cdp s SER 62 CO 0.00 0.13 -0.02 -0.31 0.98 0.00 0.00 173.24 174.02 2cdp s TYR 63 N 0.11 3.00 -0.87 5.02 2.02 0.49 -0.45 117.35 126.68 2cdp s TYR 63 Ca -0.05 0.03 -0.15 0.00 -0.37 0.00 0.00 57.07 56.53 2cdp s TYR 63 Cb -0.12 -1.63 0.20 0.00 -0.40 0.00 0.00 41.96 40.02 2cdp s TYR 63 CO 0.02 0.44 0.88 -0.65 -1.57 0.00 0.00 175.55 174.66 2cdp s GLN 64 N -1.61 3.65 0.13 -0.62 -1.52 0.04 0.21 119.66 119.94 2cdp s GLN 64 Ca 0.19 -2.37 0.06 0.00 -1.95 0.00 0.00 55.36 51.30 2cdp s GLN 64 Cb -0.11 -4.55 -0.04 0.00 -0.22 0.00 0.00 33.01 28.09 2cdp s GLN 64 CO 0.10 -1.40 -0.14 0.00 -0.25 0.00 0.00 175.29 173.61 2cdp s ALA 65 N 0.62 1.53 0.06 6.09 0.00 -0.96 -0.70 121.76 128.39 2cdp s ALA 65 Ca 0.22 -1.35 -0.02 0.00 0.00 0.00 0.00 51.96 50.82 2cdp s ALA 65 Cb -0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 2cdp s ALA 65 CO -0.09 0.08 0.00 0.20 0.00 0.00 0.00 175.76 175.95 2cdp s GLY 66 N -2.60 0.42 0.08 0.00 0.00 -0.66 -1.30 107.32 103.26 2cdp s GLY 66 Ca 0.11 -1.13 -0.09 0.00 0.00 0.00 0.00 44.72 43.61 2cdp s GLY 66 CO 0.03 -1.25 0.19 -0.45 0.00 0.00 0.00 173.10 171.62 2cdp s SER 67 N -2.91 0.11 0.00 1.64 0.15 -1.21 -0.67 113.70 110.80 2cdp s SER 67 Ca 0.07 -0.60 0.11 0.00 0.70 0.00 0.00 55.95 56.23 2cdp s SER 67 Cb 0.08 0.33 0.25 0.00 -1.71 0.00 0.00 66.02 64.96 2cdp s SER 67 CO -0.10 -0.69 1.15 0.61 1.20 0.00 0.00 173.24 175.41 2cdp n GLY 68 N 0.08 1.92 3.32 9.45 0.00 -1.26 -1.07 105.19 117.63 2cdp n GLY 68 Ca -0.16 -0.37 -0.17 0.00 0.00 0.00 0.00 46.02 45.33 2cdp n GLY 68 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2cdp s VAL 69 N -0.99 1.02 -0.12 1.61 -7.23 -1.26 -4.91 120.40 108.51 2cdp s VAL 69 Ca 0.21 -2.03 -0.12 0.00 -1.81 0.00 0.00 61.98 58.22 2cdp s VAL 69 Cb 0.12 -2.32 -0.05 0.00 0.56 0.00 0.00 36.38 34.69 2cdp s VAL 69 CO 0.16 -0.34 0.27 -0.89 -0.31 0.00 0.00 175.10 173.99 2cdp s THR 70 N -3.43 5.30 0.00 5.32 2.01 -1.26 -4.33 115.64 119.25 2cdp s THR 70 Ca 0.28 0.51 0.00 0.00 0.31 0.00 0.00 61.69 62.79 2cdp s THR 70 Cb 0.06 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 68.98 2cdp s THR 70 CO 0.08 0.48 0.00 0.61 -0.69 0.00 0.00 174.62 175.11 2cdp n GLY 71 N 2.75 1.22 3.83 4.40 0.00 -1.26 -4.61 105.19 111.52 2cdp n GLY 71 Ca -0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 2cdp n GLY 71 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2cdp s GLY 72 N -2.00 2.36 -0.03 -0.02 0.00 -1.26 -1.35 107.32 105.02 2cdp s GLY 72 Ca 0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 44.72 44.32 2cdp s GLY 72 CO 0.00 0.07 0.11 -1.35 0.00 0.00 0.00 173.10 171.93 2cdp s SER 73 N -0.81 -0.06 -0.30 1.64 1.04 -1.26 -1.28 113.70 112.66 2cdp s SER 73 Ca 0.21 0.09 -0.15 0.00 0.48 0.00 0.00 55.95 56.58 2cdp s SER 73 Cb -0.15 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.16 2cdp s SER 73 CO 0.10 -0.12 0.35 -0.63 0.98 0.00 0.00 173.24 173.91 2cdp s ILE 74 N -0.33 5.18 -0.21 -1.02 1.01 0.53 -1.13 121.20 125.22 2cdp s ILE 74 Ca -0.04 0.30 -0.12 0.00 0.00 0.00 0.00 60.65 60.79 2cdp s ILE 74 Cb -0.03 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 2cdp s ILE 74 CO 0.00 0.05 0.23 -0.70 0.00 0.00 0.00 174.94 174.53 2cdp s GLU 75 N 2.02 4.14 -0.27 2.79 2.12 -0.59 -1.02 118.70 127.89 2cdp s GLU 75 Ca 0.13 -0.10 -0.10 0.00 0.36 0.00 0.00 54.97 55.25 2cdp s GLU 75 Cb -0.16 -3.50 -0.05 0.00 0.26 0.00 0.00 34.13 30.68 2cdp s GLU 75 CO 0.11 0.10 0.17 0.12 -0.54 0.00 0.00 175.26 175.22 2cdp s PHE 76 N 0.92 3.20 0.19 5.30 5.36 0.06 -0.85 117.98 132.17 2cdp s PHE 76 Ca 0.11 0.03 0.10 0.00 -0.96 0.00 0.00 56.93 56.22 2cdp s PHE 76 Cb -0.13 -2.35 -0.04 0.00 -0.34 0.00 0.00 43.02 40.15 2cdp s PHE 76 CO 0.04 -0.19 -0.21 -0.51 -1.46 0.00 0.00 175.22 172.89 2cdp s LEU 77 N 1.73 2.46 -0.04 6.12 1.02 -0.02 -0.20 118.68 129.75 2cdp s LEU 77 Ca 0.07 -0.89 0.04 0.00 0.02 0.00 0.00 54.13 53.37 2cdp s LEU 77 Cb -0.16 -1.01 -0.00 0.00 0.02 0.00 0.00 46.19 45.04 2cdp s LEU 77 CO 0.10 0.04 -0.17 -0.69 0.02 0.00 0.00 176.35 175.65 2cdp s VAL 78 N -1.99 1.38 -0.68 -1.59 1.01 -0.41 -0.65 120.40 117.47 2cdp s VAL 78 Ca 0.20 -0.69 -0.25 0.00 0.00 0.00 0.00 61.98 61.24 2cdp s VAL 78 Cb -0.06 -1.19 0.05 0.00 0.00 0.00 0.00 36.38 35.18 2cdp s VAL 78 CO 0.09 0.40 1.11 0.21 0.00 0.00 0.00 175.10 176.91 2cdp s ASN 79 N 0.01 6.20 -0.54 3.32 3.84 -0.46 -0.26 114.94 127.05 2cdp s ASN 79 Ca -0.03 -0.63 -0.17 0.00 0.21 0.00 0.00 52.86 52.24 2cdp s ASN 79 Cb -0.11 -2.49 0.10 0.00 -0.55 0.00 0.00 41.25 38.21 2cdp s ASN 79 CO 0.02 -1.60 0.55 -1.61 -2.79 0.00 0.00 177.10 171.67 2cdp s GLU 80 N 4.84 3.02 -1.40 0.43 2.02 -0.03 -4.51 118.70 123.06 2cdp s GLU 80 Ca 0.30 -1.45 -0.00 0.00 0.02 0.00 0.00 54.97 53.84 2cdp s GLU 80 Cb -0.12 -4.24 0.00 0.00 0.10 0.00 0.00 34.13 29.87 2cdp s GLU 80 CO 0.14 -1.32 0.44 0.09 0.02 0.00 0.00 175.26 174.63 2cdp n ASN 81 N 5.65 -0.39 0.00 -0.19 4.13 -1.26 -2.55 115.26 120.64 2cdp n ASN 81 Ca -0.12 -0.99 0.00 0.00 1.68 0.00 0.00 54.58 55.15 2cdp n ASN 81 Cb 0.42 -3.13 0.00 0.00 -1.54 0.00 0.00 39.78 35.53 2cdp n ASN 81 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2cdp n GLY 82 N -1.95 0.47 2.85 7.41 0.00 -1.26 -5.03 105.19 107.68 2cdp n GLY 82 Ca -0.31 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 44.90 2cdp n GLY 82 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cdp s SER 83 N -2.53 1.52 0.19 1.61 0.15 -1.06 -5.13 113.70 108.46 2cdp s SER 83 Ca 0.00 -0.16 -0.31 0.00 0.70 0.00 0.00 55.95 56.18 2cdp s SER 83 Cb 0.00 -0.55 -0.10 0.00 -1.71 0.00 0.00 66.02 63.66 2cdp s SER 83 CO 0.00 -0.12 1.53 0.26 1.20 0.00 0.00 173.24 176.11 2cdp s TRP 84 N 1.49 3.04 -0.19 3.44 0.52 -1.26 -0.85 118.94 125.14 2cdp s TRP 84 Ca -0.01 0.76 0.00 0.00 0.02 0.00 0.00 56.10 56.87 2cdp s TRP 84 Cb -0.13 -3.89 0.02 0.00 -1.15 0.00 0.00 33.47 28.31 2cdp s TRP 84 CO -0.04 -3.18 -0.18 0.00 0.02 0.00 0.00 176.95 173.58 2cdp s ALA 85 N 0.77 2.40 0.04 0.98 0.00 0.64 -4.91 121.76 121.67 2cdp s ALA 85 Ca 0.67 -1.24 -0.30 0.00 0.00 0.00 0.00 51.96 51.08 2cdp s ALA 85 Cb -0.43 -1.26 -0.05 0.00 0.00 0.00 0.00 23.12 21.38 2cdp s ALA 85 CO 0.35 -0.40 1.14 0.45 0.00 0.00 0.00 175.76 177.30 2cdp s SER 86 N 1.30 7.15 -0.10 0.00 0.15 -1.26 -1.29 113.70 119.65 2cdp s SER 86 Ca 0.04 1.90 -0.13 0.00 0.70 0.00 0.00 55.95 58.47 2cdp s SER 86 Cb -0.13 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.56 2cdp s SER 86 CO -0.11 -0.42 -0.25 0.29 1.20 0.00 0.00 173.24 173.94 2cdp n LYS 87 N 4.02 0.38 -4.10 5.44 4.76 0.72 -4.97 118.16 124.40 2cdp n LYS 87 Ca 0.08 0.15 -0.09 0.00 -2.87 0.00 0.00 58.31 55.58 2cdp n LYS 87 Cb 0.48 -1.15 -0.10 0.00 -1.84 0.00 0.00 35.03 32.41 2cdp n LYS 87 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2cdp s THR 88 N -2.59 0.39 -0.05 -0.18 -4.23 -1.14 -5.00 115.64 102.84 2cdp s THR 88 Ca -0.21 -1.70 0.01 0.00 -1.18 0.00 0.00 61.69 58.61 2cdp s THR 88 Cb 0.03 -1.38 0.02 0.00 1.34 0.00 0.00 72.50 72.51 2cdp s THR 88 CO 0.30 -0.86 -0.05 -0.69 -0.54 0.00 0.00 174.62 172.79 2cdp s VAL 89 N -3.37 0.56 -0.13 2.29 1.01 -1.26 -0.76 120.40 118.74 2cdp s VAL 89 Ca 0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 2cdp s VAL 89 Cb 0.04 -0.59 0.04 0.00 0.00 0.00 0.00 36.38 35.87 2cdp s VAL 89 CO -0.07 0.23 -0.00 -0.89 0.00 0.00 0.00 175.10 174.38 2cdp s THR 90 N 0.95 0.60 0.40 3.92 2.01 -0.18 -4.96 115.64 118.38 2cdp s THR 90 Ca -0.10 -0.27 -0.27 0.00 0.31 0.00 0.00 61.69 61.35 2cdp s THR 90 Cb -0.14 -0.87 -0.09 0.00 0.01 0.00 0.00 72.50 71.40 2cdp s THR 90 CO -0.00 0.08 1.39 0.00 -0.69 0.00 0.00 174.62 175.40 2cdp s ALA 91 N 1.86 3.37 -0.31 7.40 0.00 -1.26 -0.35 121.76 132.47 2cdp s ALA 91 Ca 0.02 1.40 -0.11 0.00 0.00 0.00 0.00 51.96 53.27 2cdp s ALA 91 Cb -0.14 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.40 2cdp s ALA 91 CO -0.07 -0.98 0.20 0.08 0.00 0.00 0.00 175.76 174.99 2cdp s VAL 92 N -1.19 5.06 0.29 0.00 1.01 -0.41 -4.89 120.40 120.27 2cdp s VAL 92 Ca 0.56 -0.17 -0.28 0.00 0.00 0.00 0.00 61.98 62.09 2cdp s VAL 92 Cb -0.42 -3.53 -0.14 0.00 0.00 0.00 0.00 36.38 32.28 2cdp s VAL 92 CO 0.56 0.10 1.05 -2.65 0.00 0.00 0.00 175.10 174.15 2cdp n PRO 93 N 5.05 1.43 -2.89 2.72 -0.02 -1.26 -4.68 135.00 135.35 2cdp n PRO 93 Ca -0.13 0.50 -0.44 0.00 -2.02 0.00 0.00 63.50 61.41 2cdp n PRO 93 Cb 0.50 -1.90 -0.03 0.00 -0.02 0.00 0.00 33.50 32.06 2cdp n PRO 93 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2cdp s ASN 94 N -0.50 6.60 -0.05 2.55 3.84 -1.26 -3.36 114.94 122.76 2cdp s ASN 94 Ca 0.59 -1.95 0.07 0.00 0.21 0.00 0.00 52.86 51.78 2cdp s ASN 94 Cb -0.69 -2.42 0.11 0.00 -0.55 0.00 0.00 41.25 37.70 2cdp s ASN 94 CO 0.60 -1.12 0.98 0.00 -2.79 0.00 0.00 177.10 174.77 2cdp n GLN 95 N 6.82 1.30 0.00 0.43 6.02 -0.95 -4.97 117.38 126.02 2cdp n GLN 95 Ca 0.24 -1.66 0.00 0.00 -0.01 0.00 0.00 57.00 55.57 2cdp n GLN 95 Cb 0.49 -1.01 0.00 0.00 1.02 0.00 0.00 30.24 30.74 2cdp n GLN 95 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2cdp n GLY 96 N -0.68 3.13 0.37 1.08 0.00 -0.23 -4.63 105.19 104.23 2cdp n GLY 96 Ca 0.06 -1.41 0.18 0.00 0.00 0.00 0.00 46.02 44.85 2cdp n GLY 96 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2cdp h TRP 97 N 0.00 0.86 -0.03 1.61 4.06 -1.88 -1.28 115.95 119.29 2cdp h TRP 97 Ca 0.00 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.98 2cdp h TRP 97 Cb 0.00 -0.25 0.00 0.00 -1.00 0.00 0.00 29.16 27.91 2cdp h TRP 97 CO 0.00 0.13 0.00 -0.25 -3.56 0.00 0.00 178.44 174.76 2cdp n ASP 98 N -4.72 2.75 -4.44 -3.49 8.00 -1.26 -4.57 116.55 108.83 2cdp n ASP 98 Ca 0.24 -1.87 -0.44 0.00 0.71 0.00 0.00 54.79 53.43 2cdp n ASP 98 Cb 0.73 -0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.81 2cdp n ASP 98 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2cdp s ASN 99 N -1.75 6.92 0.20 -2.24 2.47 -0.48 -5.00 114.94 115.06 2cdp s ASN 99 Ca 0.25 -2.70 -0.30 0.00 0.42 0.00 0.00 52.86 50.52 2cdp s ASN 99 Cb 0.18 -2.36 -0.08 0.00 -1.45 0.00 0.00 41.25 37.53 2cdp s ASN 99 CO 0.26 -0.79 1.14 -0.36 -3.72 0.00 0.00 177.10 173.63 2cdp s PHE 100 N 1.55 3.51 0.02 0.43 0.08 -1.26 -4.32 117.98 117.99 2cdp s PHE 100 Ca 0.36 1.54 0.02 0.00 0.12 0.00 0.00 56.93 58.97 2cdp s PHE 100 Cb -0.05 -3.35 -0.01 0.00 -0.57 0.00 0.00 43.02 39.04 2cdp s PHE 100 CO -0.05 -0.86 -0.06 -0.65 -0.10 0.00 0.00 175.22 173.50 2cdp s GLN 101 N -0.56 0.41 0.32 0.44 -1.52 -0.42 -4.87 119.66 113.46 2cdp s GLN 101 Ca 0.50 -0.42 -0.29 0.00 -1.95 0.00 0.00 55.36 53.19 2cdp s GLN 101 Cb -0.31 -0.28 -0.12 0.00 -0.22 0.00 0.00 33.01 32.08 2cdp s GLN 101 CO 0.37 0.06 1.52 -2.30 -0.25 0.00 0.00 175.29 174.70 2cdp n PRO 102 N 2.29 2.59 -3.74 2.91 -0.02 -1.26 -2.27 135.00 135.50 2cdp n PRO 102 Ca -0.17 0.92 -0.22 0.00 -2.02 0.00 0.00 63.50 62.00 2cdp n PRO 102 Cb 0.57 -2.66 -0.18 0.00 -0.02 0.00 0.00 33.50 31.21 2cdp n PRO 102 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2cdp s LEU 103 N -0.91 0.44 -0.09 2.45 2.96 0.13 -4.95 118.68 118.71 2cdp s LEU 103 Ca 0.61 -0.03 -0.30 0.00 -0.22 0.00 0.00 54.13 54.19 2cdp s LEU 103 Cb -0.51 -0.34 -0.04 0.00 0.50 0.00 0.00 46.19 45.80 2cdp s LEU 103 CO 0.54 -0.21 1.39 0.21 -1.32 0.00 0.00 176.35 176.96 2cdp s ASN 104 N 2.04 6.86 -0.10 3.68 3.84 -1.26 -0.38 114.94 129.61 2cdp s ASN 104 Ca 0.05 1.94 0.16 0.00 0.21 0.00 0.00 52.86 55.22 2cdp s ASN 104 Cb -0.12 -2.54 0.58 0.00 -0.55 0.00 0.00 41.25 38.62 2cdp s ASN 104 CO -0.05 -0.78 1.50 0.61 -2.79 0.00 0.00 177.10 175.59 2cdp n GLY 105 N 3.74 3.06 6.73 1.21 0.00 0.73 -4.96 105.19 115.70 2cdp n GLY 105 Ca 0.14 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.38 2cdp n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cdp n GLY 106 N 0.61 -1.21 3.26 -0.02 0.00 -1.25 -4.72 105.19 101.86 2cdp n GLY 106 Ca 0.21 -1.28 -0.16 0.00 0.00 0.00 0.00 46.02 44.79 2cdp n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cdp s SER 107 N -4.00 1.96 -0.07 1.61 1.04 -1.26 0.11 113.70 113.08 2cdp s SER 107 Ca 0.00 -0.98 -0.04 0.00 0.48 0.00 0.00 55.95 55.42 2cdp s SER 107 Cb 0.00 -0.04 0.03 0.00 0.10 0.00 0.00 66.02 66.11 2cdp s SER 107 CO 0.00 -0.27 0.16 0.54 0.98 0.00 0.00 173.24 174.65 2cdp s VAL 108 N -3.05 -0.04 -0.18 5.02 0.11 0.56 -4.83 120.40 117.99 2cdp s VAL 108 Ca 0.16 0.13 -0.28 0.00 -2.93 0.00 0.00 61.98 59.06 2cdp s VAL 108 Cb 0.01 -0.25 -0.00 0.00 -1.53 0.00 0.00 36.38 34.60 2cdp s VAL 108 CO 0.02 0.05 0.97 -0.47 -3.33 0.00 0.00 175.10 172.35 2cdp s TYR 109 N 0.92 3.40 -0.16 1.54 5.04 -1.26 -0.54 117.35 126.29 2cdp s TYR 109 Ca -0.07 1.44 0.01 0.00 -2.44 0.00 0.00 57.07 56.01 2cdp s TYR 109 Cb -0.09 -3.18 0.02 0.00 0.35 0.00 0.00 41.96 39.06 2cdp s TYR 109 CO -0.05 -0.36 -0.20 -0.51 -1.34 0.00 0.00 175.55 173.10 2cdp s LEU 110 N 2.63 2.06 0.87 6.97 1.43 0.27 -4.96 118.68 127.96 2cdp s LEU 110 Ca 0.43 -0.61 -0.12 0.00 -1.03 0.00 0.00 54.13 52.81 2cdp s LEU 110 Cb -0.16 -1.42 0.11 0.00 0.03 0.00 0.00 46.19 44.75 2cdp s LEU 110 CO 0.11 0.02 1.11 -0.94 0.23 0.00 0.00 176.35 176.88 2cdp s SER 111 N 1.13 3.81 0.06 2.29 1.04 -1.26 -1.37 113.70 119.40 2cdp s SER 111 Ca 0.00 1.21 -0.31 0.00 0.48 0.00 0.00 55.95 57.34 2cdp s SER 111 Cb -0.14 -1.88 -0.06 0.00 0.10 0.00 0.00 66.02 64.04 2cdp s SER 111 CO -0.09 -2.39 1.31 0.00 0.98 0.00 0.00 173.24 173.05 2cdp s ALA 112 N -3.14 3.50 0.00 5.32 0.00 -1.26 -4.70 121.76 121.48 2cdp s ALA 112 Ca 0.63 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.52 2cdp s ALA 112 Cb -0.16 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.45 2cdp s ALA 112 CO 0.55 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 176.11 2cdp n GLY 113 N 3.41 0.22 3.23 0.00 0.00 0.57 -5.00 105.19 107.61 2cdp n GLY 113 Ca 0.11 -1.37 -0.32 0.00 0.00 0.00 0.00 46.02 44.44 2cdp n GLY 113 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cdp s THR 114 N -3.48 2.05 -0.03 2.61 2.01 -1.26 -0.16 115.64 117.39 2cdp s THR 114 Ca 0.00 -1.02 0.05 0.00 0.31 0.00 0.00 61.69 61.03 2cdp s THR 114 Cb 0.00 -1.77 -0.01 0.00 0.01 0.00 0.00 72.50 70.73 2cdp s THR 114 CO 0.00 0.56 -0.18 -1.00 -0.69 0.00 0.00 174.62 173.31 2cdp s HIS 115 N 0.28 1.68 -0.33 4.92 4.02 0.13 -4.95 115.29 121.03 2cdp s HIS 115 Ca -0.17 -0.38 -0.18 0.00 1.02 0.00 0.00 55.06 55.35 2cdp s HIS 115 Cb -0.17 -1.10 -0.01 0.00 -1.02 0.00 0.00 32.58 30.27 2cdp s HIS 115 CO 0.08 -0.08 0.53 -0.65 1.02 0.00 0.00 174.74 175.64 2cdp s GLN 116 N -0.26 3.75 -0.04 1.40 -1.52 -1.26 -0.53 119.66 121.20 2cdp s GLN 116 Ca 0.03 -0.01 0.02 0.00 -1.95 0.00 0.00 55.36 53.46 2cdp s GLN 116 Cb -0.09 -3.77 -0.03 0.00 -0.22 0.00 0.00 33.01 28.91 2cdp s GLN 116 CO 0.00 -0.58 -0.09 0.08 -0.25 0.00 0.00 175.29 174.46 2cdp s VAL 117 N 2.41 3.52 -0.04 1.09 1.01 0.29 -1.36 120.40 127.33 2cdp s VAL 117 Ca 0.20 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.60 2cdp s VAL 117 Cb -0.15 -2.45 -0.00 0.00 0.00 0.00 0.00 36.38 33.77 2cdp s VAL 117 CO 0.12 0.54 -0.18 -0.60 0.00 0.00 0.00 175.10 174.98 2cdp s ARG 118 N -0.97 1.86 -0.18 2.72 3.52 0.17 -0.29 118.95 125.79 2cdp s ARG 118 Ca 0.13 -0.65 -0.04 0.00 -0.13 0.00 0.00 55.73 55.04 2cdp s ARG 118 Cb -0.11 -1.62 -0.02 0.00 -1.56 0.00 0.00 34.95 31.64 2cdp s ARG 118 CO 0.03 0.27 -0.02 -0.51 -0.81 0.00 0.00 175.30 174.26 2cdp s LEU 119 N -0.02 3.24 -0.05 -0.88 1.43 0.20 -0.84 118.68 121.76 2cdp s LEU 119 Ca -0.03 -0.18 0.04 0.00 -1.03 0.00 0.00 54.13 52.93 2cdp s LEU 119 Cb -0.11 -1.81 -0.00 0.00 0.03 0.00 0.00 46.19 44.30 2cdp s LEU 119 CO 0.02 0.10 -0.17 -2.28 0.23 0.00 0.00 176.35 174.25 2cdp s HIS 120 N 0.76 1.76 -1.01 0.29 5.65 -0.03 -0.99 115.29 121.72 2cdp s HIS 120 Ca -0.00 -0.55 -0.24 0.00 0.25 0.00 0.00 55.06 54.52 2cdp s HIS 120 Cb -0.14 -1.20 -0.04 0.00 -1.18 0.00 0.00 32.58 30.01 2cdp s HIS 120 CO 0.02 -0.20 1.89 0.20 -0.65 0.00 0.00 174.74 175.99 2cdp s GLY 121 N 0.15 0.35 0.00 1.59 0.00 0.12 -1.54 107.32 107.98 2cdp s GLY 121 Ca -0.07 -1.83 0.25 0.00 0.00 0.00 0.00 44.72 43.08 2cdp s GLY 121 CO 0.03 3.40 1.37 0.00 0.00 0.00 0.00 173.10 177.90 2cdp n ALA 122 N 13.35 3.07 -1.57 3.20 0.00 -0.29 -0.89 120.51 137.37 2cdp n ALA 122 Ca 0.41 -0.54 -0.17 0.00 0.00 0.00 0.00 53.44 53.14 2cdp n ALA 122 Cb 0.47 -0.96 0.18 0.00 0.00 0.00 0.00 19.45 19.13 2cdp n ALA 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cdp n GLY 123 N 1.34 -1.76 0.14 0.00 0.00 -1.25 -4.85 105.19 98.83 2cdp n GLY 123 Ca 0.13 -1.65 0.04 0.00 0.00 0.00 0.00 46.02 44.54 2cdp n GLY 123 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2cdp h SER 124 N -1.67 0.00 -3.94 1.61 4.64 -1.58 -3.46 113.55 109.15 2cdp h SER 124 Ca -0.35 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.48 2cdp h SER 124 Cb 0.97 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.09 2cdp h SER 124 CO 0.24 0.40 0.44 0.21 -0.87 0.00 0.00 176.83 177.25 2cdp s ASN 125 N -6.21 6.77 0.42 4.97 3.84 -0.57 -4.92 114.94 119.24 2cdp s ASN 125 Ca 0.03 2.14 0.20 0.00 0.21 0.00 0.00 52.86 55.44 2cdp s ASN 125 Cb 0.07 -2.60 1.16 0.00 -0.55 0.00 0.00 41.25 39.33 2cdp s ASN 125 CO 0.75 -0.49 1.80 0.78 -2.79 0.00 0.00 177.10 177.15 2cdp h ASN 126 N 2.71 0.38 -3.54 -4.21 2.35 -1.91 -3.32 115.58 108.03 2cdp h ASN 126 Ca -0.48 0.06 -0.67 0.00 -0.55 0.00 0.00 56.30 54.66 2cdp h ASN 126 Cb 1.22 -0.00 -0.16 0.00 0.05 0.00 0.00 38.32 39.42 2cdp h ASN 126 CO 0.63 0.10 -0.69 0.26 -1.65 0.00 0.00 177.43 176.08 2cdp s TRP 127 N -5.40 2.93 0.00 1.19 0.52 -1.26 -0.97 118.94 115.95 2cdp s TRP 127 Ca -0.08 -0.01 0.00 0.00 0.02 0.00 0.00 56.10 56.03 2cdp s TRP 127 Cb 0.24 -1.62 0.00 0.00 -1.15 0.00 0.00 33.47 30.94 2cdp s TRP 127 CO 0.79 0.40 0.00 1.04 0.02 0.00 0.00 176.95 179.20 2cdp n GLN 128 N 1.49 0.00 -3.53 4.98 1.13 -0.23 -4.48 117.38 116.74 2cdp n GLN 128 Ca -0.15 0.00 -0.07 0.00 -1.94 0.00 0.00 57.00 54.84 2cdp n GLN 128 Cb 0.53 -0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.85 2cdp n GLN 128 CO 0.00 0.00 0.00 1.67 -1.44 0.00 0.00 177.06 177.29 2cdp s TRP 129 N -0.42 -0.29 0.14 1.08 1.48 -1.25 -4.22 118.94 115.46 2cdp s TRP 129 Ca 0.00 0.17 0.07 0.00 -1.06 0.00 0.00 56.10 55.27 2cdp s TRP 129 Cb 0.00 0.54 -0.04 0.00 -1.16 0.00 0.00 33.47 32.81 2cdp s TRP 129 CO 0.00 -0.48 -0.03 -0.80 -4.06 0.00 0.00 176.95 171.59 2cdp s ASN 130 N -2.44 4.73 -0.03 -2.66 0.01 0.15 -4.20 114.94 110.51 2cdp s ASN 130 Ca 0.06 -0.35 -0.00 0.00 -0.71 0.00 0.00 52.86 51.86 2cdp s ASN 130 Cb -0.01 -1.01 0.03 0.00 0.41 0.00 0.00 41.25 40.67 2cdp s ASN 130 CO -0.08 0.13 0.03 -0.22 -1.51 0.00 0.00 177.10 175.46 2cdp s LEU 131 N -2.63 0.87 -0.13 0.60 2.96 -0.62 -1.66 118.68 118.07 2cdp s LEU 131 Ca 0.26 0.04 -0.17 0.00 -0.22 0.00 0.00 54.13 54.04 2cdp s LEU 131 Cb -0.10 -0.10 -0.15 0.00 0.50 0.00 0.00 46.19 46.34 2cdp s LEU 131 CO 0.17 -0.15 0.37 -0.78 -1.32 0.00 0.00 176.35 174.64 2cdp h ASP 132 N 7.55 0.00 -5.29 3.68 1.82 -1.16 -0.91 116.42 122.11 2cdp h ASP 132 Ca -0.38 -0.53 0.18 0.00 -0.39 0.00 0.00 57.03 55.91 2cdp h ASP 132 Cb 1.12 0.00 -0.09 0.00 0.68 0.00 0.00 39.33 41.04 2cdp h ASP 132 CO 0.41 0.86 0.51 -1.59 -1.61 0.00 0.00 179.24 177.82 2cdp s LYS 133 N -2.00 1.10 0.10 0.28 -2.85 -1.24 -1.65 119.74 113.47 2cdp s LYS 133 Ca -0.13 -0.59 0.01 0.00 -1.00 0.00 0.00 55.97 54.26 2cdp s LYS 133 Cb -0.01 0.39 -0.04 0.00 -2.06 0.00 0.00 37.83 36.11 2cdp s LYS 133 CO 0.41 -0.50 -0.06 -0.59 0.10 0.00 0.00 175.35 174.70 2cdp s PHE 134 N -3.21 0.86 0.00 1.78 -0.12 -0.41 -0.78 117.98 116.11 2cdp s PHE 134 Ca 0.12 -0.93 0.03 0.00 -0.05 0.00 0.00 56.93 56.10 2cdp s PHE 134 Cb -0.01 -0.51 -0.01 0.00 -0.63 0.00 0.00 43.02 41.86 2cdp s PHE 134 CO 0.01 -0.17 -0.11 0.99 -0.05 0.00 0.00 175.22 175.89 2cdp s THR 135 N -3.65 0.85 -0.22 -4.49 2.01 0.41 0.37 115.64 110.92 2cdp s THR 135 Ca 0.12 -0.56 -0.04 0.00 0.31 0.00 0.00 61.69 61.52 2cdp s THR 135 Cb 0.06 -0.73 -0.01 0.00 0.01 0.00 0.00 72.50 71.82 2cdp s THR 135 CO -0.05 0.17 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.25 2cdp s LEU 136 N -0.45 2.93 -0.07 4.42 1.43 0.14 -1.02 118.68 126.06 2cdp s LEU 136 Ca 0.03 -0.38 0.04 0.00 -1.03 0.00 0.00 54.13 52.79 2cdp s LEU 136 Cb -0.05 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.43 2cdp s LEU 136 CO -0.00 -0.02 -0.18 -0.44 0.23 0.00 0.00 176.35 175.94 2cdp s SER 137 N 1.46 2.36 0.00 2.29 0.01 0.61 -1.26 113.70 119.16 2cdp s SER 137 Ca 0.05 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 56.91 2cdp s SER 137 Cb -0.14 -0.95 0.00 0.00 0.21 0.00 0.00 66.02 65.14 2cdp s SER 137 CO -0.03 0.12 0.37 -3.20 0.41 0.00 0.00 173.24 170.91