#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upn n ASP 11 N 0.00 4.51 0.06 4.04 3.85 -1.26 -3.82 116.55 123.93 1upn n ASP 11 Ca 0.00 -2.33 -0.17 0.00 -0.71 0.00 0.00 54.79 51.58 1upn n ASP 11 Cb 0.00 -0.55 -0.14 0.00 -1.35 0.00 0.00 41.12 39.08 1upn n ASP 11 CO 0.00 0.00 0.00 0.03 -1.01 0.00 0.00 177.20 176.22 1upn h ARG 12 N 4.06 0.24 -6.94 0.11 2.47 -1.84 -3.45 114.38 109.03 1upn h ARG 12 Ca 0.00 -0.41 -0.52 0.00 -1.26 0.00 0.00 59.98 57.79 1upn h ARG 12 Cb 1.32 0.15 0.07 0.00 -1.65 0.00 0.00 29.97 29.86 1upn h ARG 12 CO 0.17 1.10 0.56 0.08 0.56 0.00 0.00 179.97 182.43 1upn s VAL 13 N -2.61 2.90 -0.27 2.04 1.01 -1.25 -1.01 120.40 121.21 1upn s VAL 13 Ca -0.09 0.79 -0.26 0.00 0.00 0.00 0.00 61.98 62.41 1upn s VAL 13 Cb 0.07 -3.45 0.15 0.00 0.00 0.00 0.00 36.38 33.15 1upn s VAL 13 CO 0.85 0.10 1.20 -0.60 0.00 0.00 0.00 175.10 176.64 1upn s ARG 14 N -2.24 0.33 0.08 2.72 3.52 -0.61 -4.94 118.95 117.81 1upn s ARG 14 Ca 0.57 0.32 0.06 0.00 -0.13 0.00 0.00 55.73 56.54 1upn s ARG 14 Cb -0.34 0.16 -0.03 0.00 -1.56 0.00 0.00 34.95 33.17 1upn s ARG 14 CO 0.44 -0.05 -0.16 0.45 -0.81 0.00 0.00 175.30 175.16 1upn s SER 15 N -0.10 1.96 -0.06 -2.12 0.15 -1.26 -1.04 113.70 111.23 1upn s SER 15 Ca 0.04 -0.63 -0.03 0.00 0.70 0.00 0.00 55.95 56.03 1upn s SER 15 Cb -0.04 -0.08 0.03 0.00 -1.71 0.00 0.00 66.02 64.22 1upn s SER 15 CO -0.09 -0.03 0.14 -0.63 1.20 0.00 0.00 173.24 173.83 1upn s ILE 16 N -1.22 -0.03 -0.11 6.45 1.01 -0.15 -4.96 121.20 122.19 1upn s ILE 16 Ca 0.01 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.77 1upn s ILE 16 Cb -0.10 -0.22 0.02 0.00 0.01 0.00 0.00 42.46 42.18 1upn s ILE 16 CO 0.03 0.04 -0.11 -0.89 0.00 0.00 0.00 174.94 174.02 1upn s THR 17 N 0.73 1.23 -0.06 2.92 2.01 -1.26 -0.52 115.64 120.69 1upn s THR 17 Ca -0.06 -0.44 -0.01 0.00 0.31 0.00 0.00 61.69 61.50 1upn s THR 17 Cb -0.07 -1.18 0.03 0.00 0.01 0.00 0.00 72.50 71.28 1upn s THR 17 CO -0.03 0.40 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.53 1upn s LEU 18 N 1.41 0.74 0.00 4.42 1.43 -0.07 -5.01 118.68 121.61 1upn s LEU 18 Ca 0.01 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1upn s LEU 18 Cb -0.13 -0.40 0.00 0.00 0.03 0.00 0.00 46.19 45.69 1upn s LEU 18 CO -0.06 -0.16 0.00 0.61 0.23 0.00 0.00 176.35 176.96 1upn n GLY 19 N 4.86 2.70 1.74 -3.19 0.00 -1.23 -2.11 105.19 107.97 1upn n GLY 19 Ca -0.12 -0.31 -0.03 0.00 0.00 0.00 0.00 46.02 45.56 1upn n GLY 19 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1upn n ASN 20 N 4.52 4.35 -4.11 1.61 2.04 -1.26 -4.91 115.26 117.50 1upn n ASN 20 Ca 0.00 -2.93 -0.21 0.00 -0.44 0.00 0.00 54.58 51.01 1upn n ASN 20 Cb 0.00 -0.69 -0.14 0.00 -2.53 0.00 0.00 39.78 36.42 1upn n ASN 20 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 1upn s SER 21 N -0.68 1.56 -0.02 0.53 1.04 -0.90 -5.07 113.70 110.16 1upn s SER 21 Ca 0.44 -0.32 0.02 0.00 0.48 0.00 0.00 55.95 56.57 1upn s SER 21 Cb 0.35 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1upn s SER 21 CO 0.11 0.11 -0.08 -0.89 0.98 0.00 0.00 173.24 173.47 1upn s THR 22 N -0.53 0.68 0.06 2.02 2.01 -1.26 -0.89 115.64 117.73 1upn s THR 22 Ca 0.03 -0.31 0.05 0.00 0.31 0.00 0.00 61.69 61.77 1upn s THR 22 Cb -0.06 -0.61 -0.04 0.00 0.01 0.00 0.00 72.50 71.80 1upn s THR 22 CO 0.00 0.22 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.47 1upn s ILE 23 N 0.18 3.73 0.07 1.82 1.01 0.32 -4.95 121.20 123.39 1upn s ILE 23 Ca -0.03 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 59.67 1upn s ILE 23 Cb -0.08 -2.71 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 1upn s ILE 23 CO 0.00 0.23 -0.06 0.42 0.00 0.00 0.00 174.94 175.53 1upn s THR 24 N -1.17 0.52 -0.04 2.92 -4.23 -1.26 -0.98 115.64 111.41 1upn s THR 24 Ca 0.21 -1.54 -0.11 0.00 -1.18 0.00 0.00 61.69 59.07 1upn s THR 24 Cb -0.11 -1.17 0.02 0.00 1.34 0.00 0.00 72.50 72.58 1upn s THR 24 CO 0.13 -0.69 0.26 0.42 -0.54 0.00 0.00 174.62 174.20 1upn s THR 25 N -2.71 0.04 -1.01 3.99 -4.23 -0.21 -5.00 115.64 106.52 1upn s THR 25 Ca 0.01 -0.36 0.12 0.00 -1.18 0.00 0.00 61.69 60.29 1upn s THR 25 Cb -0.01 -0.50 -0.03 0.00 1.34 0.00 0.00 72.50 73.31 1upn s THR 25 CO -0.03 -0.20 0.67 0.00 -0.54 0.00 0.00 174.62 174.52 1upn n GLN 26 N 1.90 2.17 -3.17 3.99 6.02 -1.26 -1.57 117.38 125.45 1upn n GLN 26 Ca -0.19 -0.54 -0.20 0.00 -0.01 0.00 0.00 57.00 56.06 1upn n GLN 26 Cb 0.57 -1.14 -0.05 0.00 1.02 0.00 0.00 30.24 30.64 1upn n GLN 26 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1upn n GLU 27 N -0.42 0.84 -3.22 -1.09 1.02 -1.22 -4.03 120.64 112.52 1upn n GLU 27 Ca 0.05 -3.24 -0.22 0.00 -0.02 0.00 0.00 57.16 53.72 1upn n GLU 27 Cb 0.24 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 1upn n GLU 27 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1upn s SER 28 N -1.80 5.99 0.00 1.62 1.04 -0.18 -1.91 113.70 118.47 1upn s SER 28 Ca 0.37 0.23 0.00 0.00 0.48 0.00 0.00 55.95 57.03 1upn s SER 28 Cb 0.26 -1.62 0.00 0.00 0.10 0.00 0.00 66.02 64.76 1upn s SER 28 CO -0.10 -0.52 0.00 0.00 0.98 0.00 0.00 173.24 173.60 1upn n ALA 29 N -1.90 0.00 -2.70 5.32 0.00 -1.26 -4.49 120.51 115.48 1upn n ALA 29 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1upn n ALA 29 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1upn n ALA 29 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1upn n ASN 30 N 0.00 0.00 -3.69 0.00 4.05 -1.26 -4.77 115.26 109.58 1upn n ASN 30 Ca 0.00 0.00 -0.10 0.00 0.45 0.00 0.00 54.58 54.93 1upn n ASN 30 Cb 0.00 0.00 -0.11 0.00 1.23 0.00 0.00 39.78 40.90 1upn n ASN 30 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1upn s VAL 31 N 4.13 -0.15 -0.12 3.44 1.01 -1.26 -4.67 120.40 122.79 1upn s VAL 31 Ca 0.00 0.12 -0.09 0.00 0.00 0.00 0.00 61.98 62.01 1upn s VAL 31 Cb 0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 1upn s VAL 31 CO 0.00 0.05 0.18 -0.69 0.00 0.00 0.00 175.10 174.64 1upn s VAL 32 N 1.64 5.42 -0.22 2.92 1.01 -0.07 -5.00 120.40 126.10 1upn s VAL 32 Ca -0.08 0.31 -0.01 0.00 0.00 0.00 0.00 61.98 62.20 1upn s VAL 32 Cb -0.09 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.84 1upn s VAL 32 CO -0.12 0.58 -0.11 -0.69 0.00 0.00 0.00 175.10 174.76 1upn s VAL 33 N -0.79 2.64 0.00 2.92 1.01 -1.26 -0.38 120.40 124.54 1upn s VAL 33 Ca 0.15 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.20 1upn s VAL 33 Cb -0.13 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 34.00 1upn s VAL 33 CO 0.05 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.10 1upn n GLY 34 N 4.66 0.00 2.72 4.51 0.00 0.23 -0.23 105.19 117.08 1upn n GLY 34 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 1upn n GLY 34 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1upn n TYR 35 N 0.00 3.21 -1.00 1.61 4.01 -1.26 -4.63 117.16 119.10 1upn n TYR 35 Ca 0.00 -2.75 -0.00 0.00 -0.16 0.00 0.00 57.90 54.99 1upn n TYR 35 Cb 0.00 -0.68 -0.00 0.00 -0.31 0.00 0.00 39.34 38.35 1upn n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1upn n GLY 36 N -0.48 0.48 3.22 2.72 0.00 0.68 -5.02 105.19 106.80 1upn n GLY 36 Ca 0.46 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 46.02 1upn n GLY 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1upn s ARG 37 N -0.26 3.16 0.38 1.61 0.52 -1.26 -5.06 118.95 118.04 1upn s ARG 37 Ca 0.00 -0.76 -0.25 0.00 -0.52 0.00 0.00 55.73 54.20 1upn s ARG 37 Cb 0.00 -2.64 -0.09 0.00 0.52 0.00 0.00 34.95 32.74 1upn s ARG 37 CO 0.00 -0.07 1.03 -0.46 0.02 0.00 0.00 175.30 175.82 1upn s TRP 38 N 1.02 3.37 0.57 -0.53 -0.11 -1.26 -4.02 118.94 117.98 1upn s TRP 38 Ca -0.02 1.67 -0.21 0.00 1.22 0.00 0.00 56.10 58.77 1upn s TRP 38 Cb -0.15 -3.09 -0.04 0.00 -1.50 0.00 0.00 33.47 28.70 1upn s TRP 38 CO -0.04 -0.44 1.32 -2.14 -4.62 0.00 0.00 176.95 171.03 1upn s PRO 39 N -2.37 3.01 0.08 5.86 0.02 -1.26 -4.91 135.00 135.43 1upn s PRO 39 Ca 0.56 2.13 -0.04 0.00 0.02 0.00 0.00 61.00 63.67 1upn s PRO 39 Cb -0.21 -2.13 -0.03 0.00 0.02 0.00 0.00 34.50 32.15 1upn s PRO 39 CO 0.27 -1.26 0.07 -1.83 -0.33 0.00 0.00 177.00 173.92 1upn s GLU 40 N -3.05 0.77 0.45 5.54 -1.05 -1.26 -5.01 118.70 115.09 1upn s GLU 40 Ca 0.74 -1.17 -0.11 0.00 -0.15 0.00 0.00 54.97 54.28 1upn s GLU 40 Cb -0.38 0.27 -0.06 0.00 -0.44 0.00 0.00 34.13 33.51 1upn s GLU 40 CO 0.44 -0.20 0.84 0.71 0.95 0.00 0.00 175.26 177.99 1upn s TYR 41 N -3.92 3.49 0.20 4.83 2.02 -1.26 -4.96 117.35 117.75 1upn s TYR 41 Ca 0.10 1.13 -0.32 0.00 -0.37 0.00 0.00 57.07 57.61 1upn s TYR 41 Cb 0.07 -2.52 -0.11 0.00 -0.40 0.00 0.00 41.96 38.99 1upn s TYR 41 CO -0.08 -0.23 1.66 -1.17 -1.57 0.00 0.00 175.55 174.16 1upn s LEU 42 N -4.11 4.37 0.35 -1.29 2.96 -1.26 -5.00 118.68 114.70 1upn s LEU 42 Ca 0.53 2.80 -0.09 0.00 -0.22 0.00 0.00 54.13 57.15 1upn s LEU 42 Cb -0.10 -3.60 -0.06 0.00 0.50 0.00 0.00 46.19 42.92 1upn s LEU 42 CO 0.35 -0.92 0.69 -0.13 -1.32 0.00 0.00 176.35 175.01 1upn s ARG 43 N 1.00 3.75 0.53 1.98 0.52 -1.26 -4.96 118.95 120.51 1upn s ARG 43 Ca 0.72 0.32 0.21 0.00 -0.52 0.00 0.00 55.73 56.47 1upn s ARG 43 Cb -0.48 -2.49 1.37 0.00 0.52 0.00 0.00 34.95 33.87 1upn s ARG 43 CO 0.33 0.08 2.09 -0.44 0.02 0.00 0.00 175.30 177.38 1upn h ASP 44 N 1.53 0.00 -0.33 0.23 3.32 -1.97 -0.71 116.42 118.50 1upn h ASP 44 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1upn h ASP 44 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1upn h ASP 44 CO 0.65 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.27 1upn n ASP 45 N -4.40 1.99 0.00 6.45 5.68 -1.26 -3.38 116.55 121.63 1upn n ASP 45 Ca 0.02 -2.06 0.00 0.00 -0.50 0.00 0.00 54.79 52.25 1upn n ASP 45 Cb 0.32 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 1upn n ASP 45 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1upn n GLU 46 N 0.46 1.14 -3.23 0.11 1.02 -0.30 -5.09 120.64 114.74 1upn n GLU 46 Ca 0.11 -0.24 -0.30 0.00 -0.02 0.00 0.00 57.16 56.72 1upn n GLU 46 Cb 0.34 -0.69 -0.04 0.00 -0.02 0.00 0.00 31.44 31.04 1upn n GLU 46 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1upn s ALA 47 N -0.23 3.53 0.00 0.62 0.00 -1.01 -4.74 121.76 119.93 1upn s ALA 47 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.58 1upn s ALA 47 Cb 0.00 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.67 1upn s ALA 47 CO 0.00 0.25 0.00 2.41 0.00 0.00 0.00 175.76 178.42 1upn n THR 48 N -0.82 0.00 -1.71 0.00 -1.04 -1.26 -5.01 114.28 104.44 1upn n THR 48 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 1upn n THR 48 Cb 0.54 -1.02 -0.03 0.00 -1.82 0.00 0.00 70.33 68.00 1upn n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1upn s ALA 49 N -1.94 3.69 -0.58 2.41 0.00 -1.26 -4.87 121.76 119.21 1upn s ALA 49 Ca 0.00 1.39 0.24 0.00 0.00 0.00 0.00 51.96 53.59 1upn s ALA 49 Cb 0.00 -3.79 0.41 0.00 0.00 0.00 0.00 23.12 19.74 1upn s ALA 49 CO 0.00 -1.35 1.43 0.93 0.00 0.00 0.00 175.76 176.77 1upn h GLU 50 N 9.31 0.00 -7.24 0.00 5.08 -2.04 -3.48 114.58 116.20 1upn h GLU 50 Ca -0.47 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.40 1upn h GLU 50 Cb 1.22 0.00 0.05 0.00 0.50 0.00 0.00 28.75 30.52 1upn h GLU 50 CO 0.95 0.00 0.38 0.16 -1.00 0.00 0.00 179.01 179.50 1upn s ASP 51 N -4.71 6.16 0.24 1.42 -4.77 -1.26 -4.99 116.67 108.76 1upn s ASP 51 Ca 0.06 1.63 -0.31 0.00 -3.30 0.00 0.00 52.55 50.63 1upn s ASP 51 Cb 0.12 -2.51 -0.12 0.00 -1.09 0.00 0.00 42.92 39.32 1upn s ASP 51 CO 0.69 -0.91 1.68 1.67 0.70 0.00 0.00 175.17 179.00 1upn n GLN 52 N -2.10 2.76 -1.90 2.11 -0.06 -1.26 -4.95 117.38 111.98 1upn n GLN 52 Ca 0.07 0.99 -0.29 0.00 -2.00 0.00 0.00 57.00 55.77 1upn n GLN 52 Cb 0.54 -2.81 0.07 0.00 -4.06 0.00 0.00 30.24 23.97 1upn n GLN 52 CO 0.00 0.00 0.00 -2.14 -0.20 0.00 0.00 177.06 174.72 1upn s PRO 53 N 0.49 2.41 -0.10 3.69 0.02 -1.26 -4.86 135.00 135.38 1upn s PRO 53 Ca 0.71 0.28 -0.01 0.00 0.02 0.00 0.00 61.00 62.00 1upn s PRO 53 Cb -0.50 -1.99 -0.03 0.00 0.02 0.00 0.00 34.50 32.01 1upn s PRO 53 CO 0.39 -1.31 -0.07 0.99 -0.33 0.00 0.00 177.00 176.66 1upn s THR 54 N -3.47 3.65 -0.51 0.99 2.01 -0.74 -4.93 115.64 112.65 1upn s THR 54 Ca 0.60 -0.47 0.04 0.00 0.31 0.00 0.00 61.69 62.17 1upn s THR 54 Cb -0.11 -2.53 0.17 0.00 0.01 0.00 0.00 72.50 70.04 1upn s THR 54 CO 0.50 0.56 0.39 -1.10 -0.69 0.00 0.00 174.62 174.28 1upn s GLN 55 N -0.28 1.43 0.60 4.92 -0.21 -1.26 -2.10 119.66 122.75 1upn s GLN 55 Ca 0.04 -2.52 0.29 0.00 0.02 0.00 0.00 55.36 53.19 1upn s GLN 55 Cb -0.13 -2.10 1.29 0.00 1.00 0.00 0.00 33.01 33.07 1upn s GLN 55 CO 0.02 -1.35 1.67 -1.35 -2.12 0.00 0.00 175.29 172.17 1upn h PRO 56 N 5.59 0.00 0.00 2.91 0.11 -1.98 -3.46 132.00 135.17 1upn h PRO 56 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1upn h PRO 56 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1upn h PRO 56 CO 0.49 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 174.81 1upn n ASP 57 N -3.54 0.00 -0.21 -2.05 2.03 -1.26 -3.04 116.55 108.48 1upn n ASP 57 Ca 0.15 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.52 1upn n ASP 57 Cb 1.03 0.00 0.33 0.00 -0.72 0.00 0.00 41.12 41.76 1upn n ASP 57 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1upn h VAL 58 N 0.00 1.02 0.00 5.18 -1.51 -1.89 0.84 116.25 119.88 1upn h VAL 58 Ca 0.00 -0.28 -0.00 0.00 -1.23 0.00 0.00 66.70 65.19 1upn h VAL 58 Cb 0.00 0.14 -0.00 0.00 -2.13 0.00 0.00 31.29 29.30 1upn h VAL 58 CO 0.00 0.15 -0.01 0.00 -1.23 0.00 0.00 177.57 176.48 1upn h ALA 59 N 1.58 1.16 0.00 5.19 0.00 -1.95 -3.29 119.26 121.95 1upn h ALA 59 Ca 0.34 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1upn h ALA 59 Cb 0.28 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1upn h ALA 59 CO -0.12 0.01 -1.07 -2.37 0.00 0.00 0.00 179.25 175.70 1upn n THR 60 N -3.33 0.07 -3.23 0.00 5.66 -0.42 -4.33 114.28 108.71 1upn n THR 60 Ca -0.03 -0.04 -0.45 0.00 -3.05 0.00 0.00 64.05 60.49 1upn n THR 60 Cb 0.11 -0.75 -0.01 0.00 -1.55 0.00 0.00 70.33 68.13 1upn n THR 60 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1upn s ARG 62 N -0.07 1.77 -0.28 0.00 1.70 -1.25 -3.48 118.95 117.35 1upn s ARG 62 Ca 0.30 -1.36 -0.29 0.00 -0.47 0.00 0.00 55.73 53.91 1upn s ARG 62 Cb -0.08 0.51 0.01 0.00 -0.57 0.00 0.00 34.95 34.82 1upn s ARG 62 CO -0.07 -0.76 1.05 -0.06 -1.08 0.00 0.00 175.30 174.38 1upn s PHE 63 N -3.52 3.24 -0.16 5.89 0.08 -1.26 -3.93 117.98 118.31 1upn s PHE 63 Ca 0.22 1.32 -0.06 0.00 0.12 0.00 0.00 56.93 58.53 1upn s PHE 63 Cb -0.02 -3.48 -0.03 0.00 -0.57 0.00 0.00 43.02 38.92 1upn s PHE 63 CO 0.12 -0.62 0.02 0.71 -0.10 0.00 0.00 175.22 175.34 1upn s TYR 64 N 3.42 3.16 -0.21 0.36 2.02 0.18 -4.93 117.35 121.35 1upn s TYR 64 Ca 0.44 -0.07 -0.08 0.00 -0.37 0.00 0.00 57.07 57.00 1upn s TYR 64 Cb -0.14 -2.01 -0.04 0.00 -0.40 0.00 0.00 41.96 39.38 1upn s TYR 64 CO 0.11 0.10 0.08 0.99 -1.57 0.00 0.00 175.55 175.26 1upn s THR 65 N 0.26 4.76 0.61 -0.71 2.01 -1.26 -1.02 115.64 120.30 1upn s THR 65 Ca 0.01 -0.03 -0.07 0.00 0.31 0.00 0.00 61.69 61.91 1upn s THR 65 Cb -0.13 -3.18 0.01 0.00 0.01 0.00 0.00 72.50 69.21 1upn s THR 65 CO 0.01 0.41 0.93 -0.76 -0.69 0.00 0.00 174.62 174.53 1upn s LEU 66 N 0.78 3.18 0.25 4.42 1.43 -0.13 -5.01 118.68 123.61 1upn s LEU 66 Ca 0.04 0.79 -0.31 0.00 -1.03 0.00 0.00 54.13 53.62 1upn s LEU 66 Cb -0.13 -3.61 -0.12 0.00 0.03 0.00 0.00 46.19 42.36 1upn s LEU 66 CO 0.02 -1.11 1.65 -0.70 0.23 0.00 0.00 176.35 176.44 1upn s GLU 67 N -5.05 4.13 0.86 1.70 2.12 -1.26 -4.51 118.70 116.68 1upn s GLU 67 Ca 0.55 2.58 -0.11 0.00 0.36 0.00 0.00 54.97 58.34 1upn s GLU 67 Cb -0.11 -3.05 0.11 0.00 0.26 0.00 0.00 34.13 31.34 1upn s GLU 67 CO 0.46 -0.68 1.09 -1.12 -0.54 0.00 0.00 175.26 174.47 1upn s SER 68 N 0.82 3.79 0.19 -1.70 0.01 -1.26 -4.65 113.70 110.90 1upn s SER 68 Ca 0.68 1.54 0.08 0.00 1.31 0.00 0.00 55.95 59.57 1upn s SER 68 Cb -0.48 -2.23 -0.04 0.00 0.21 0.00 0.00 66.02 63.47 1upn s SER 68 CO 0.40 -2.44 -0.16 0.68 0.41 0.00 0.00 173.24 172.13 1upn s VAL 69 N -2.95 1.79 -0.23 3.43 -7.23 -0.36 -4.97 120.40 109.88 1upn s VAL 69 Ca 0.63 -2.10 -0.10 0.00 -1.81 0.00 0.00 61.98 58.60 1upn s VAL 69 Cb -0.17 -1.96 -0.05 0.00 0.56 0.00 0.00 36.38 34.76 1upn s VAL 69 CO 0.56 -0.48 0.14 -0.89 -0.31 0.00 0.00 175.10 174.12 1upn s THR 70 N -2.59 5.25 -0.37 5.32 2.01 -1.26 -0.78 115.64 123.22 1upn s THR 70 Ca 0.20 0.14 -0.24 0.00 0.31 0.00 0.00 61.69 62.10 1upn s THR 70 Cb -0.03 -3.43 0.01 0.00 0.01 0.00 0.00 72.50 69.07 1upn s THR 70 CO 0.07 0.38 0.83 0.86 -0.69 0.00 0.00 174.62 176.07 1upn s TRP 71 N 0.86 3.09 0.23 4.92 -0.11 -0.53 -4.97 118.94 122.43 1upn s TRP 71 Ca 0.07 0.59 0.06 0.00 1.22 0.00 0.00 56.10 58.04 1upn s TRP 71 Cb -0.13 -3.51 -0.04 0.00 -1.50 0.00 0.00 33.47 28.30 1upn s TRP 71 CO 0.03 -0.79 0.21 -1.21 -4.62 0.00 0.00 176.95 170.57 1upn s GLU 72 N 3.24 3.02 0.51 5.86 0.41 -1.26 -4.37 118.70 126.10 1upn s GLU 72 Ca 0.33 -0.97 0.22 0.00 -0.41 0.00 0.00 54.97 54.14 1upn s GLU 72 Cb -0.13 -2.64 1.18 0.00 -1.78 0.00 0.00 34.13 30.76 1upn s GLU 72 CO 0.18 0.42 1.62 0.87 -0.49 0.00 0.00 175.26 177.86 1upn h LYS 73 N 1.61 0.00 0.00 1.61 1.57 -1.95 -1.97 116.57 117.45 1upn h LYS 73 Ca -0.49 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1upn h LYS 73 Cb 1.23 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.54 1upn h LYS 73 CO 0.61 0.00 -0.22 -0.40 -0.57 0.00 0.00 179.45 178.88 1upn n ASP 74 N -2.49 1.40 -4.72 0.86 3.85 -1.26 -4.49 116.55 109.69 1upn n ASP 74 Ca -0.01 -2.66 -0.42 0.00 -0.71 0.00 0.00 54.79 50.98 1upn n ASP 74 Cb 0.36 -0.34 -0.03 0.00 -1.35 0.00 0.00 41.12 39.76 1upn n ASP 74 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.20 175.75 1upn s SER 75 N -2.14 6.52 -0.02 -1.12 0.01 -0.74 -4.90 113.70 111.33 1upn s SER 75 Ca 0.20 2.71 -0.18 0.00 1.31 0.00 0.00 55.95 59.99 1upn s SER 75 Cb 0.17 -2.60 -0.33 0.00 0.21 0.00 0.00 66.02 63.47 1upn s SER 75 CO 0.01 -0.86 0.90 -0.65 0.41 0.00 0.00 173.24 173.06 1upn h PRO 76 N 6.42 0.42 0.00 12.44 0.11 -1.92 -3.43 132.00 146.05 1upn h PRO 76 Ca -0.43 -0.72 0.00 0.00 0.11 0.00 0.00 66.00 64.96 1upn h PRO 76 Cb 1.21 0.27 0.00 0.00 0.11 0.00 0.00 31.00 32.58 1upn h PRO 76 CO 0.90 1.34 0.00 0.41 -0.21 0.00 0.00 178.00 180.44 1upn n GLY 77 N 1.71 -1.98 3.32 -0.55 0.00 -1.26 -3.77 105.19 102.66 1upn n GLY 77 Ca -0.17 -1.36 -0.09 0.00 0.00 0.00 0.00 46.02 44.40 1upn n GLY 77 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1upn s TRP 78 N -2.29 0.18 0.14 1.61 0.51 -0.33 -2.04 118.94 116.71 1upn s TRP 78 Ca 0.00 -0.55 -0.15 0.00 -2.12 0.00 0.00 56.10 53.28 1upn s TRP 78 Cb 0.00 0.04 0.03 0.00 -0.81 0.00 0.00 33.47 32.73 1upn s TRP 78 CO 0.00 -0.69 0.41 1.67 -0.51 0.00 0.00 176.95 177.83 1upn s TRP 79 N -3.90 -0.13 -0.04 -1.98 -2.14 -0.72 -1.31 118.94 108.72 1upn s TRP 79 Ca 0.11 -0.20 -0.03 0.00 2.66 0.00 0.00 56.10 58.63 1upn s TRP 79 Cb 0.03 0.25 0.01 0.00 -3.10 0.00 0.00 33.47 30.66 1upn s TRP 79 CO -0.05 -0.74 0.10 -1.58 -2.66 0.00 0.00 176.95 172.02 1upn s TRP 80 N -3.83 -0.10 0.29 1.66 0.51 -0.54 -1.83 118.94 115.10 1upn s TRP 80 Ca 0.05 0.24 -0.09 0.00 -2.12 0.00 0.00 56.10 54.18 1upn s TRP 80 Cb 0.02 0.03 -0.07 0.00 -0.81 0.00 0.00 33.47 32.64 1upn s TRP 80 CO -0.09 -0.06 0.62 0.15 -0.51 0.00 0.00 176.95 177.06 1upn s LYS 81 N -0.00 3.77 -0.07 4.98 -0.14 -1.26 -1.03 119.74 125.99 1upn s LYS 81 Ca -0.01 0.29 -0.07 0.00 -1.36 0.00 0.00 55.97 54.82 1upn s LYS 81 Cb -0.01 -2.57 -0.02 0.00 -1.68 0.00 0.00 37.83 33.55 1upn s LYS 81 CO 0.00 0.20 -0.14 1.19 -0.76 0.00 0.00 175.35 175.84 1upn n PHE 82 N -0.63 0.00 -0.32 3.18 3.01 -0.10 -4.37 117.46 118.22 1upn n PHE 82 Ca 0.01 0.00 0.20 0.00 1.01 0.00 0.00 57.45 58.67 1upn n PHE 82 Cb 0.53 -0.20 0.40 0.00 -0.01 0.00 0.00 39.48 40.21 1upn n PHE 82 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1upn h PRO 83 N -0.40 0.13 -6.68 -1.08 0.13 -1.84 -3.34 132.00 118.93 1upn h PRO 83 Ca 0.00 -0.01 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 1upn h PRO 83 Cb 0.40 -0.03 0.04 0.00 0.13 0.00 0.00 31.00 31.54 1upn h PRO 83 CO 0.00 0.09 0.71 0.34 -0.23 0.00 0.00 178.00 178.91 1upn s ASP 84 N -4.89 6.79 0.00 1.44 2.15 -1.25 -2.88 116.67 118.02 1upn s ASP 84 Ca -0.11 2.49 0.00 0.00 0.43 0.00 0.00 52.55 55.36 1upn s ASP 84 Cb 0.30 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 40.31 1upn s ASP 84 CO 0.78 -0.62 0.00 0.00 -0.17 0.00 0.00 175.17 175.16 1upn n ALA 85 N 2.80 0.00 0.11 3.66 0.00 -1.25 -4.51 120.51 121.32 1upn n ALA 85 Ca 0.08 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.54 1upn n ALA 85 Cb 0.42 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.90 1upn n ALA 85 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1upn n LEU 86 N 0.00 1.65 0.12 0.00 4.77 -1.14 -4.13 117.00 118.26 1upn n LEU 86 Ca 0.00 -1.28 0.08 0.00 -0.03 0.00 0.00 56.01 54.78 1upn n LEU 86 Cb 0.00 -0.03 0.42 0.00 -2.33 0.00 0.00 43.42 41.48 1upn n LEU 86 CO 0.00 0.38 0.74 2.29 -1.33 0.00 0.00 177.39 179.47 1upn n LYS 87 N 0.15 0.10 -0.12 3.23 2.85 -1.25 -1.08 118.16 122.03 1upn n LYS 87 Ca 0.03 0.60 0.05 0.00 -1.05 0.00 0.00 58.31 57.94 1upn n LYS 87 Cb 0.17 -1.83 0.11 0.00 -0.65 0.00 0.00 35.03 32.83 1upn n LYS 87 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1upn n ASP 88 N -2.04 2.57 -4.46 -5.58 8.00 -1.26 -4.46 116.55 109.32 1upn n ASP 88 Ca -0.01 -2.48 -0.43 0.00 0.71 0.00 0.00 54.79 52.58 1upn n ASP 88 Cb 0.03 -0.26 -0.04 0.00 -0.02 0.00 0.00 41.12 40.83 1upn n ASP 88 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1upn s MET 89 N -1.84 3.14 0.00 -1.24 -1.94 -0.24 -4.91 119.30 112.27 1upn s MET 89 Ca 0.20 -0.78 0.00 0.00 -1.71 0.00 0.00 55.69 53.40 1upn s MET 89 Cb 0.16 -4.20 0.00 0.00 2.01 0.00 0.00 34.83 32.80 1upn s MET 89 CO 0.05 -1.72 0.00 0.41 -0.01 0.00 0.00 175.02 173.75 1upn n GLY 90 N 5.28 2.01 0.12 -0.03 0.00 -1.26 -1.37 105.19 109.94 1upn n GLY 90 Ca -0.04 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.04 1upn n GLY 90 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1upn h LEU 91 N 0.00 0.00 -0.51 0.99 3.38 -1.95 -2.65 115.31 114.58 1upn h LEU 91 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1upn h LEU 91 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1upn h LEU 91 CO 0.00 0.00 -0.06 0.15 0.09 0.00 0.00 178.44 178.62 1upn h PHE 92 N 0.00 1.04 -0.26 1.13 3.57 -1.62 -0.43 116.94 120.37 1upn h PHE 92 Ca 0.00 -0.20 -0.16 0.00 3.53 0.00 0.00 57.97 61.14 1upn h PHE 92 Cb 0.66 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 1upn h PHE 92 CO 0.00 0.98 -0.44 0.78 -2.23 0.00 0.00 178.31 177.39 1upn h GLY 93 N 0.80 0.84 0.99 2.40 0.00 -1.05 -2.69 103.07 104.36 1upn h GLY 93 Ca 0.14 -0.96 -0.00 0.00 0.00 0.00 0.00 47.33 46.51 1upn h GLY 93 CO 0.04 0.86 0.32 1.46 0.00 0.00 0.00 176.54 179.22 1upn h GLN 94 N 0.51 0.71 -0.05 4.80 1.08 -1.32 -0.76 115.11 120.08 1upn h GLN 94 Ca 0.02 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.13 1upn h GLN 94 Cb 1.04 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 28.32 1upn h GLN 94 CO 0.10 0.51 -0.08 -0.91 -0.95 0.00 0.00 178.83 177.50 1upn h ASN 95 N 0.71 0.07 -0.10 1.46 2.35 -1.07 -1.84 115.58 117.15 1upn h ASN 95 Ca 0.19 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 1upn h ASN 95 Cb -0.02 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.32 1upn h ASN 95 CO -0.04 0.17 0.04 0.24 -1.65 0.00 0.00 177.43 176.19 1upn h MET 96 N 0.08 0.15 -0.90 0.81 2.86 -0.84 -2.75 114.93 114.34 1upn h MET 96 Ca 0.02 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1upn h MET 96 Cb 0.20 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.80 1upn h MET 96 CO 0.01 0.28 0.51 1.88 1.06 0.00 0.00 176.91 180.66 1upn h TYR 97 N -0.01 1.21 0.00 -0.22 -1.99 -0.46 -3.05 116.97 112.45 1upn h TYR 97 Ca 0.03 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1upn h TYR 97 Cb 0.19 -0.39 0.00 0.00 2.00 0.00 0.00 36.73 38.53 1upn h TYR 97 CO -0.01 0.82 -0.09 0.66 -0.00 0.00 0.00 178.16 179.54 1upn n TYR 98 N -4.34 0.33 -4.46 4.88 4.01 -0.82 -1.87 117.16 114.89 1upn n TYR 98 Ca 0.10 0.09 -0.29 0.00 -0.16 0.00 0.00 57.90 57.64 1upn n TYR 98 Cb 0.08 -0.62 -0.13 0.00 -0.31 0.00 0.00 39.34 38.36 1upn n TYR 98 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 1upn s HIS 99 N -3.04 2.41 0.04 -0.72 3.76 -1.04 -1.97 115.29 114.73 1upn s HIS 99 Ca 0.12 -0.33 -0.17 0.00 -0.15 0.00 0.00 55.06 54.53 1upn s HIS 99 Cb 0.16 -1.32 -0.23 0.00 1.11 0.00 0.00 32.58 32.30 1upn s HIS 99 CO 0.58 0.32 1.15 -0.92 -0.85 0.00 0.00 174.74 175.02 1upn h TYR 100 N 4.02 0.85 -4.16 1.40 3.20 -1.09 -3.46 116.97 117.73 1upn h TYR 100 Ca -0.50 -0.46 -0.69 0.00 3.14 0.00 0.00 58.73 60.22 1upn h TYR 100 Cb 1.16 -0.10 -0.25 0.00 1.54 0.00 0.00 36.73 39.09 1upn h TYR 100 CO 0.58 1.29 -0.84 -0.51 -1.64 0.00 0.00 178.16 177.04 1upn s LEU 101 N -8.22 2.40 0.11 2.82 1.43 -0.66 -4.00 118.68 112.57 1upn s LEU 101 Ca -0.11 -0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 52.43 1upn s LEU 101 Cb 0.05 -1.42 -0.00 0.00 0.03 0.00 0.00 46.19 44.85 1upn s LEU 101 CO 0.88 0.27 0.22 -0.83 0.23 0.00 0.00 176.35 177.12 1upn s GLY 102 N -1.22 0.18 -0.23 -3.19 0.00 0.56 -1.12 107.32 102.30 1upn s GLY 102 Ca 0.13 -0.67 -0.14 0.00 0.00 0.00 0.00 44.72 44.03 1upn s GLY 102 CO 0.03 -0.80 0.58 -1.60 0.00 0.00 0.00 173.10 171.31 1upn s ARG 103 N -3.89 0.59 0.15 2.90 3.52 -0.66 -2.55 118.95 119.01 1upn s ARG 103 Ca 0.08 1.01 -0.23 0.00 -0.13 0.00 0.00 55.73 56.46 1upn s ARG 103 Cb 0.04 0.11 0.07 0.00 -1.56 0.00 0.00 34.95 33.61 1upn s ARG 103 CO -0.08 -0.14 0.61 0.00 -0.81 0.00 0.00 175.30 174.87 1upn s ALA 104 N 1.36 -1.61 0.46 6.12 0.00 -1.26 -1.36 121.76 125.47 1upn s ALA 104 Ca -0.08 0.53 0.06 0.00 0.00 0.00 0.00 51.96 52.46 1upn s ALA 104 Cb -0.06 0.85 -0.02 0.00 0.00 0.00 0.00 23.12 23.89 1upn s ALA 104 CO -0.14 -0.75 0.22 0.20 0.00 0.00 0.00 175.76 175.28 1upn s GLY 105 N -2.69 2.44 0.01 0.00 0.00 -0.10 -4.08 107.32 102.90 1upn s GLY 105 Ca 0.01 -1.63 -0.12 0.00 0.00 0.00 0.00 44.72 42.97 1upn s GLY 105 CO -0.12 -1.95 0.25 -0.19 0.00 0.00 0.00 173.10 171.09 1upn s TYR 106 N -2.68 -0.08 -0.22 1.90 2.02 -0.22 0.84 117.35 118.91 1upn s TYR 106 Ca 0.34 0.05 -0.05 0.00 -0.37 0.00 0.00 57.07 57.05 1upn s TYR 106 Cb 0.02 0.04 -0.02 0.00 -0.40 0.00 0.00 41.96 41.61 1upn s TYR 106 CO 0.20 -0.39 -0.02 0.99 -1.57 0.00 0.00 175.55 174.76 1upn s THR 107 N -1.72 3.64 -0.16 -0.71 2.01 -0.37 -0.35 115.64 117.98 1upn s THR 107 Ca -0.11 -0.41 -0.03 0.00 0.31 0.00 0.00 61.69 61.45 1upn s THR 107 Cb -0.04 -2.66 -0.02 0.00 0.01 0.00 0.00 72.50 69.78 1upn s THR 107 CO 0.01 0.41 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.68 1upn s ILE 108 N 1.36 3.77 -0.30 1.82 1.01 0.15 -0.67 121.20 128.34 1upn s ILE 108 Ca 0.04 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.29 1upn s ILE 108 Cb -0.14 -2.65 0.09 0.00 0.01 0.00 0.00 42.46 39.77 1upn s ILE 108 CO -0.01 0.49 0.07 -2.28 0.00 0.00 0.00 174.94 173.22 1upn s HIS 109 N 0.44 2.11 -0.16 3.97 2.46 0.25 -1.18 115.29 123.18 1upn s HIS 109 Ca -0.04 -1.93 -0.21 0.00 0.47 0.00 0.00 55.06 53.35 1upn s HIS 109 Cb -0.14 -1.89 -0.03 0.00 -0.13 0.00 0.00 32.58 30.38 1upn s HIS 109 CO 0.03 -0.87 0.61 0.08 -2.47 0.00 0.00 174.74 172.12 1upn s VAL 110 N 1.48 5.06 -0.12 0.89 1.01 -0.23 -1.55 120.40 126.94 1upn s VAL 110 Ca 0.08 1.19 -0.00 0.00 0.00 0.00 0.00 61.98 63.25 1upn s VAL 110 Cb -0.18 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 1upn s VAL 110 CO -0.20 0.18 -0.11 -1.10 0.00 0.00 0.00 175.10 173.87 1upn s GLN 111 N 1.45 3.27 -0.29 2.72 -0.21 0.12 -0.65 119.66 126.07 1upn s GLN 111 Ca 0.30 -0.65 0.02 0.00 0.02 0.00 0.00 55.36 55.05 1upn s GLN 111 Cb -0.16 -2.64 0.19 0.00 1.00 0.00 0.00 33.01 31.40 1upn s GLN 111 CO 0.12 0.30 0.56 0.00 -2.12 0.00 0.00 175.29 174.15 1upn s ASN 113 N 2.79 5.12 0.00 0.00 4.22 -1.26 -4.48 114.94 121.33 1upn s ASN 113 Ca 0.14 -0.13 0.00 0.00 -2.14 0.00 0.00 52.86 50.73 1upn s ASN 113 Cb -0.12 -1.26 0.00 0.00 1.28 0.00 0.00 41.25 41.14 1upn s ASN 113 CO -0.24 0.19 0.00 0.00 -2.04 0.00 0.00 177.10 175.01 1upn n ALA 114 N 0.64 0.00 -2.56 3.54 0.00 -1.26 -4.81 120.51 116.06 1upn n ALA 114 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.24 1upn n ALA 114 Cb 0.52 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.89 1upn n ALA 114 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1upn s SER 115 N 1.01 0.11 0.00 0.00 1.04 -1.26 -5.00 113.70 109.60 1upn s SER 115 Ca 0.00 -1.00 0.03 0.00 0.48 0.00 0.00 55.95 55.46 1upn s SER 115 Cb 0.00 0.40 0.11 0.00 0.10 0.00 0.00 66.02 66.63 1upn s SER 115 CO 0.00 -0.86 1.06 0.29 0.98 0.00 0.00 173.24 174.71 1upn n LYS 116 N -0.19 0.00 -0.19 4.02 4.76 -1.26 -1.17 118.16 124.13 1upn n LYS 116 Ca -0.06 0.43 0.08 0.00 -2.87 0.00 0.00 58.31 55.90 1upn n LYS 116 Cb 0.63 -1.50 0.18 0.00 -1.84 0.00 0.00 35.03 32.50 1upn n LYS 116 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1upn n PHE 117 N -1.47 0.49 -3.65 2.13 3.01 -1.26 -4.97 117.46 111.74 1upn n PHE 117 Ca 0.01 -0.36 -0.20 0.00 1.01 0.00 0.00 57.45 57.90 1upn n PHE 117 Cb 0.03 -0.01 -0.02 0.00 -0.01 0.00 0.00 39.48 39.47 1upn n PHE 117 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 1upn s HIS 118 N -1.10 2.99 0.02 1.38 3.76 -0.32 -4.63 115.29 117.39 1upn s HIS 118 Ca 0.30 -0.27 -0.15 0.00 -0.15 0.00 0.00 55.06 54.79 1upn s HIS 118 Cb 0.17 -1.90 0.02 0.00 1.11 0.00 0.00 32.58 31.98 1upn s HIS 118 CO 0.22 0.09 0.33 1.14 -0.85 0.00 0.00 174.74 175.67 1upn s GLN 119 N -4.08 0.78 0.00 1.40 -2.07 -0.84 -4.66 119.66 110.20 1upn s GLN 119 Ca 0.43 -0.35 0.00 0.00 -1.82 0.00 0.00 55.36 53.61 1upn s GLN 119 Cb -0.07 0.34 0.00 0.00 -1.09 0.00 0.00 33.01 32.19 1upn s GLN 119 CO 0.29 -0.24 0.00 0.41 -1.32 0.00 0.00 175.29 174.42 1upn n GLY 120 N 0.82 3.09 2.96 2.60 0.00 -1.26 -1.53 105.19 111.87 1upn n GLY 120 Ca -0.20 -0.92 -0.14 0.00 0.00 0.00 0.00 46.02 44.76 1upn n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upn s LEU 122 N 2.17 3.78 -0.16 0.00 1.43 0.12 -0.51 118.68 125.51 1upn s LEU 122 Ca -0.00 0.18 -0.14 0.00 -1.03 0.00 0.00 54.13 53.15 1upn s LEU 122 Cb -0.12 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.16 1upn s LEU 122 CO -0.08 0.33 0.29 -0.22 0.23 0.00 0.00 176.35 176.91 1upn s LEU 123 N -0.59 4.25 -0.25 1.79 2.96 -0.58 -0.04 118.68 126.22 1upn s LEU 123 Ca 0.10 0.51 0.02 0.00 -0.22 0.00 0.00 54.13 54.54 1upn s LEU 123 Cb -0.12 -2.37 0.05 0.00 0.50 0.00 0.00 46.19 44.25 1upn s LEU 123 CO 0.02 0.11 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.37 1upn s VAL 124 N 0.42 2.33 0.05 1.68 1.01 0.05 -1.84 120.40 124.10 1upn s VAL 124 Ca 0.17 -1.43 0.06 0.00 0.00 0.00 0.00 61.98 60.78 1upn s VAL 124 Cb -0.13 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1upn s VAL 124 CO 0.04 0.08 -0.17 0.68 0.00 0.00 0.00 175.10 175.73 1upn s VAL 125 N 1.17 1.33 -0.29 2.92 -7.23 -0.61 -1.66 120.40 116.04 1upn s VAL 125 Ca -0.05 -1.17 -0.04 0.00 -1.81 0.00 0.00 61.98 58.91 1upn s VAL 125 Cb -0.18 -1.20 0.03 0.00 0.56 0.00 0.00 36.38 35.58 1upn s VAL 125 CO -0.06 0.01 0.03 0.00 -0.31 0.00 0.00 175.10 174.77 1upn s VAL 127 N 1.36 4.92 0.25 0.00 1.01 0.56 -4.02 120.40 124.49 1upn s VAL 127 Ca -0.01 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 60.96 1upn s VAL 127 Cb -0.18 -3.72 -0.09 0.00 0.00 0.00 0.00 36.38 32.38 1upn s VAL 127 CO -0.00 -0.24 1.23 -2.84 0.00 0.00 0.00 175.10 173.25 1upn s PRO 128 N 1.62 4.47 -1.14 2.72 0.02 -1.26 -0.58 135.00 140.85 1upn s PRO 128 Ca 0.04 1.99 -0.07 0.00 0.02 0.00 0.00 61.00 62.98 1upn s PRO 128 Cb -0.19 -3.17 -0.03 0.00 0.02 0.00 0.00 34.50 31.13 1upn s PRO 128 CO 0.08 -0.08 0.87 -1.91 -0.33 0.00 0.00 177.00 175.64 1upn n GLU 129 N 1.73 -3.32 -2.08 5.54 4.07 -0.74 -4.87 120.64 120.98 1upn n GLU 129 Ca 0.02 0.74 -0.42 0.00 -0.06 0.00 0.00 57.16 57.44 1upn n GLU 129 Cb 0.43 -5.39 0.00 0.00 -0.06 0.00 0.00 31.44 26.43 1upn n GLU 129 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1upn n ALA 130 N -3.77 5.53 -1.81 4.31 0.00 -1.24 -4.97 120.51 118.56 1upn n ALA 130 Ca -0.16 -4.13 -0.42 0.00 0.00 0.00 0.00 53.44 48.73 1upn n ALA 130 Cb 0.63 -3.19 -0.03 0.00 0.00 0.00 0.00 19.45 16.87 1upn n ALA 130 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1upn s GLU 131 N 1.40 4.16 0.15 0.00 2.12 -1.26 -4.96 118.70 120.31 1upn s GLU 131 Ca 0.43 2.51 0.05 0.00 0.36 0.00 0.00 54.97 58.32 1upn s GLU 131 Cb 0.12 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 31.27 1upn s GLU 131 CO -0.03 -0.71 0.06 -1.64 -0.54 0.00 0.00 175.26 172.40 1upn s MET 132 N 1.46 2.68 0.33 4.30 -1.94 -1.26 -4.64 119.30 120.22 1upn s MET 132 Ca 0.74 -0.92 -0.01 0.00 -1.71 0.00 0.00 55.69 53.79 1upn s MET 132 Cb -0.47 -2.54 -0.04 0.00 2.01 0.00 0.00 34.83 33.79 1upn s MET 132 CO 0.32 0.49 0.55 0.20 -0.01 0.00 0.00 175.02 176.57 1upn s GLY 133 N -2.84 1.51 0.32 -0.03 0.00 -0.02 -4.95 107.32 101.31 1upn s GLY 133 Ca 0.29 -0.80 -0.11 0.00 0.00 0.00 0.00 44.72 44.09 1upn s GLY 133 CO 0.21 -0.73 0.68 0.00 0.00 0.00 0.00 173.10 173.26 1upn h SER 135 N 1.98 0.61 -3.23 0.00 0.02 -1.60 -3.37 113.55 107.95 1upn h SER 135 Ca -0.47 -0.58 -0.61 0.00 -0.84 0.00 0.00 61.79 59.29 1upn h SER 135 Cb 1.18 -0.18 -0.12 0.00 0.14 0.00 0.00 62.40 63.43 1upn h SER 135 CO 0.66 1.07 0.59 -0.89 -1.14 0.00 0.00 176.83 177.12 1upn s THR 136 N -3.93 4.37 0.48 -2.27 2.01 -1.22 -4.82 115.64 110.25 1upn s THR 136 Ca -0.13 0.34 0.26 0.00 0.31 0.00 0.00 61.69 62.48 1upn s THR 136 Cb 0.06 -4.54 0.45 0.00 0.01 0.00 0.00 72.50 68.48 1upn s THR 136 CO 0.81 -1.11 1.84 0.58 -0.69 0.00 0.00 174.62 176.06 1upn h VAL 137 N 6.03 0.55 -0.34 3.82 2.07 -1.95 -0.30 116.25 126.14 1upn h VAL 137 Ca -0.26 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 1upn h VAL 137 Cb 1.07 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1upn h VAL 137 CO 1.09 0.03 0.02 -0.90 0.02 0.00 0.00 177.57 177.83 1upn n ASP 138 N -4.40 3.81 -2.03 0.57 3.85 -1.26 -4.94 116.55 112.16 1upn n ASP 138 Ca 0.21 -3.17 -0.00 0.00 -0.71 0.00 0.00 54.79 51.12 1upn n ASP 138 Cb 0.92 -0.59 -0.00 0.00 -1.35 0.00 0.00 41.12 40.10 1upn n ASP 138 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1upn n GLY 139 N -0.55 3.08 3.16 6.12 0.00 -0.12 -5.16 105.19 111.73 1upn n GLY 139 Ca 0.26 -2.17 -0.14 0.00 0.00 0.00 0.00 46.02 43.97 1upn n GLY 139 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1upn s THR 140 N -0.05 0.86 0.99 2.61 -4.23 -1.26 -4.82 115.64 109.75 1upn s THR 140 Ca 0.00 -1.64 -0.15 0.00 -1.18 0.00 0.00 61.69 58.72 1upn s THR 140 Cb -0.00 -1.34 0.19 0.00 1.34 0.00 0.00 72.50 72.69 1upn s THR 140 CO 0.00 -0.60 1.20 0.68 -0.54 0.00 0.00 174.62 175.37 1upn s VAL 141 N -2.54 1.90 0.26 2.29 -7.23 -1.26 -3.27 120.40 110.54 1upn s VAL 141 Ca 0.05 0.00 0.09 0.00 -1.81 0.00 0.00 61.98 60.31 1upn s VAL 141 Cb -0.02 -2.80 -0.04 0.00 0.56 0.00 0.00 36.38 34.08 1upn s VAL 141 CO -0.01 0.00 0.03 0.21 -0.31 0.00 0.00 175.10 175.02 1upn s ASN 142 N -4.36 4.73 0.23 4.85 2.47 -0.84 -4.88 114.94 117.14 1upn s ASN 142 Ca 0.69 -0.56 0.06 0.00 0.42 0.00 0.00 52.86 53.48 1upn s ASN 142 Cb -0.09 -0.95 0.20 0.00 -1.45 0.00 0.00 41.25 38.96 1upn s ASN 142 CO 0.54 0.00 1.52 -0.08 -3.72 0.00 0.00 177.10 175.36 1upn h GLU 143 N 1.87 0.12 -0.58 0.43 4.57 -1.95 -2.94 114.58 116.11 1upn h GLU 143 Ca -0.45 -0.10 -0.06 0.00 -1.18 0.00 0.00 59.36 57.57 1upn h GLU 143 Cb 1.24 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.83 1upn h GLU 143 CO 0.60 0.77 0.14 1.25 -1.18 0.00 0.00 179.01 180.59 1upn h HIS 144 N 0.08 0.93 0.00 0.92 2.76 -1.92 0.04 115.15 117.97 1upn h HIS 144 Ca -0.01 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.06 1upn h HIS 144 Cb 1.23 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.92 1upn h HIS 144 CO 0.01 0.78 0.00 0.78 -1.30 0.00 0.00 177.93 178.20 1upn h GLY 145 N 1.00 0.00 0.46 5.26 0.00 -1.69 -3.23 103.07 104.87 1upn h GLY 145 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.16 1upn h GLY 145 CO -0.00 0.00 -1.98 1.04 0.00 0.00 0.00 176.54 175.60 1upn n LEU 146 N -2.45 2.57 -3.60 3.11 4.77 -0.26 -4.08 117.00 117.05 1upn n LEU 146 Ca 0.02 0.20 -0.16 0.00 -0.03 0.00 0.00 56.01 56.04 1upn n LEU 146 Cb 0.24 -1.07 -0.07 0.00 -2.33 0.00 0.00 43.42 40.19 1upn n LEU 146 CO 0.21 0.79 0.31 -0.55 -1.33 0.00 0.00 177.39 176.82 1upn s SER 147 N -6.98 -0.53 -0.20 -1.43 0.15 -0.16 -4.69 113.70 99.86 1upn s SER 147 Ca -0.25 0.63 0.13 0.00 0.70 0.00 0.00 55.95 57.16 1upn s SER 147 Cb 0.07 0.59 0.43 0.00 -1.71 0.00 0.00 66.02 65.40 1upn s SER 147 CO 0.72 -0.51 1.20 -0.62 1.20 0.00 0.00 173.24 175.24 1upn n GLU 148 N 1.28 1.81 0.00 5.44 1.02 -1.26 -4.44 120.64 124.50 1upn n GLU 148 Ca -0.19 -3.33 0.00 0.00 -0.02 0.00 0.00 57.16 53.62 1upn n GLU 148 Cb 0.57 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 1upn n GLU 148 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1upn n GLY 149 N -0.80 2.17 0.00 0.62 0.00 -1.26 -4.43 105.19 101.48 1upn n GLY 149 Ca 0.22 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1upn n GLY 149 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1upn n GLU 150 N 6.16 2.00 0.00 1.61 1.02 -1.26 -4.38 120.64 125.80 1upn n GLU 150 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1upn n GLU 150 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1upn n GLU 150 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1upn n THR 151 N 0.00 0.00 0.00 2.62 -2.24 -1.26 -4.84 114.28 108.56 1upn n THR 151 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1upn n THR 151 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1upn n THR 151 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1upn n ALA 152 N 10.20 0.00 -2.01 6.98 0.00 -1.26 -4.87 120.51 129.55 1upn n ALA 152 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1upn n ALA 152 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1upn n ALA 152 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1upn s LYS 153 N -4.57 3.78 -0.06 0.00 -0.14 -0.76 -4.86 119.74 113.11 1upn s LYS 153 Ca 0.00 0.67 0.02 0.00 -1.36 0.00 0.00 55.97 55.29 1upn s LYS 153 Cb 0.00 -2.24 -0.03 0.00 -1.68 0.00 0.00 37.83 33.88 1upn s LYS 153 CO 0.00 -0.24 -0.10 0.15 -0.76 0.00 0.00 175.35 174.40 1upn s LYS 154 N -4.28 2.70 0.95 1.68 1.02 -1.26 -1.76 119.74 118.79 1upn s LYS 154 Ca 0.54 -0.60 -0.15 0.00 0.02 0.00 0.00 55.97 55.78 1upn s LYS 154 Cb -0.10 -2.52 0.17 0.00 -0.52 0.00 0.00 37.83 34.85 1upn s LYS 154 CO 0.37 0.63 1.22 -0.06 -0.92 0.00 0.00 175.35 176.59 1upn s PHE 155 N -0.73 1.97 0.11 3.18 0.08 -0.87 -4.95 117.98 116.78 1upn s PHE 155 Ca 0.11 0.56 0.05 0.00 0.12 0.00 0.00 56.93 57.77 1upn s PHE 155 Cb -0.11 -3.72 -0.04 0.00 -0.57 0.00 0.00 43.02 38.58 1upn s PHE 155 CO 0.01 -2.55 -0.12 0.45 -0.10 0.00 0.00 175.22 172.92 1upn s SER 156 N -4.49 1.68 0.16 1.36 0.15 0.29 -4.51 113.70 108.35 1upn s SER 156 Ca 0.68 -0.82 0.25 0.00 0.70 0.00 0.00 55.95 56.76 1upn s SER 156 Cb -0.09 -0.02 0.61 0.00 -1.71 0.00 0.00 66.02 64.81 1upn s SER 156 CO 0.53 -0.22 1.57 0.00 1.20 0.00 0.00 173.24 176.31 1upn n ALA 157 N 0.50 2.60 -2.45 5.45 0.00 -1.26 -0.67 120.51 124.68 1upn n ALA 157 Ca -0.15 -0.13 -0.22 0.00 0.00 0.00 0.00 53.44 52.93 1upn n ALA 157 Cb 0.58 -1.33 -0.10 0.00 0.00 0.00 0.00 19.45 18.60 1upn n ALA 157 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1upn s THR 158 N -3.12 0.98 0.44 0.00 -4.23 -1.26 -4.84 115.64 103.61 1upn s THR 158 Ca 0.09 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.35 1upn s THR 158 Cb 0.13 -2.67 -0.08 0.00 1.34 0.00 0.00 72.50 71.22 1upn s THR 158 CO 0.65 0.00 1.32 -0.83 -0.54 0.00 0.00 174.62 175.22 1upn s GLY 159 N -3.50 2.90 0.28 3.99 0.00 -1.26 -4.14 107.32 105.59 1upn s GLY 159 Ca 0.33 1.25 0.08 0.00 0.00 0.00 0.00 44.72 46.39 1upn s GLY 159 CO 0.15 1.82 0.15 -0.51 0.00 0.00 0.00 173.10 174.71 1upn s THR 160 N -1.29 3.83 0.43 0.90 -4.23 -1.26 -5.01 115.64 109.02 1upn s THR 160 Ca 0.60 -1.57 0.04 0.00 -1.18 0.00 0.00 61.69 59.58 1upn s THR 160 Cb -0.38 -3.16 -0.02 0.00 1.34 0.00 0.00 72.50 70.28 1upn s THR 160 CO 0.48 -0.30 0.14 0.20 -0.54 0.00 0.00 174.62 174.60 1upn s ASN 161 N -3.83 2.99 0.00 3.99 0.01 -1.26 -4.77 114.94 112.07 1upn s ASN 161 Ca 0.35 -1.73 0.00 0.00 -0.71 0.00 0.00 52.86 50.76 1upn s ASN 161 Cb -0.06 0.61 0.00 0.00 0.41 0.00 0.00 41.25 42.20 1upn s ASN 161 CO 0.24 -0.99 0.00 0.61 -1.51 0.00 0.00 177.10 175.45 1upn n GLY 162 N -0.98 2.89 3.81 0.66 0.00 -1.26 -4.85 105.19 105.46 1upn n GLY 162 Ca -0.07 -1.60 -0.35 0.00 0.00 0.00 0.00 46.02 43.99 1upn n GLY 162 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1upn s THR 163 N -1.28 4.46 0.00 2.61 -4.23 -1.26 -3.46 115.64 112.48 1upn s THR 163 Ca 0.00 1.41 0.00 0.00 -1.18 0.00 0.00 61.69 61.92 1upn s THR 163 Cb 0.00 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 70.01 1upn s THR 163 CO 0.00 0.06 0.00 0.59 -0.54 0.00 0.00 174.62 174.73 1upn n ASN 164 N 0.34 0.00 -4.86 3.99 3.02 -1.20 -4.98 115.26 111.56 1upn n ASN 164 Ca 0.01 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.25 1upn n ASN 164 Cb 0.51 -0.02 -0.04 0.00 -0.61 0.00 0.00 39.78 39.63 1upn n ASN 164 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1upn s THR 165 N -0.48 4.70 0.23 3.41 -4.23 -1.26 -1.99 115.64 116.03 1upn s THR 165 Ca 0.00 0.84 -0.30 0.00 -1.18 0.00 0.00 61.69 61.05 1upn s THR 165 Cb 0.00 -3.71 -0.09 0.00 1.34 0.00 0.00 72.50 70.04 1upn s THR 165 CO 0.00 -0.51 1.10 -0.69 -0.54 0.00 0.00 174.62 173.97 1upn s VAL 166 N -2.38 3.67 -0.82 2.29 1.01 -1.26 -1.95 120.40 120.97 1upn s VAL 166 Ca 0.54 1.57 -0.25 0.00 0.00 0.00 0.00 61.98 63.83 1upn s VAL 166 Cb -0.10 -4.00 -0.06 0.00 0.00 0.00 0.00 36.38 32.22 1upn s VAL 166 CO 0.29 0.33 2.05 -1.58 0.00 0.00 0.00 175.10 176.18 1upn s GLN 167 N -0.94 2.36 -0.63 2.72 2.00 -0.56 -4.63 119.66 119.98 1upn s GLN 167 Ca 0.47 0.08 -0.02 0.00 -2.00 0.00 0.00 55.36 53.89 1upn s GLN 167 Cb -0.31 -4.88 0.42 0.00 0.80 0.00 0.00 33.01 29.04 1upn s GLN 167 CO 0.38 -3.48 2.04 -1.13 -0.50 0.00 0.00 175.29 172.60 1upn n SER 168 N 14.79 7.57 -4.64 6.67 3.41 -1.26 -3.92 113.62 136.23 1upn n SER 168 Ca 0.38 -3.70 -0.43 0.00 -0.26 0.00 0.00 58.87 54.86 1upn n SER 168 Cb 0.47 -0.99 -0.02 0.00 -0.26 0.00 0.00 64.21 63.41 1upn n SER 168 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1upn s ILE 169 N -4.53 4.37 0.32 -1.33 2.07 -1.26 0.11 121.20 120.95 1upn s ILE 169 Ca 0.61 1.59 0.07 0.00 -1.41 0.00 0.00 60.65 61.50 1upn s ILE 169 Cb 0.48 -4.27 0.40 0.00 0.13 0.00 0.00 42.46 39.20 1upn s ILE 169 CO -0.02 -0.41 1.56 1.33 -1.91 0.00 0.00 174.94 175.49 1upn n VAL 170 N 5.87 -0.42 -0.52 4.00 0.24 0.16 -0.88 118.33 126.78 1upn n VAL 170 Ca 0.13 2.15 0.45 0.00 -2.04 0.00 0.00 64.34 65.02 1upn n VAL 170 Cb 0.47 -3.22 0.79 0.00 -1.47 0.00 0.00 33.84 30.41 1upn n VAL 170 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1upn h THR 171 N 0.00 0.20 -0.09 3.34 1.03 -1.89 0.52 112.91 116.02 1upn h THR 171 Ca 0.67 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 67.07 1upn h THR 171 Cb 1.50 0.20 0.00 0.00 -1.07 0.00 0.00 68.15 68.78 1upn h THR 171 CO -0.89 0.00 0.00 0.59 -0.01 0.00 0.00 175.52 175.21 1upn n ASN 172 N -4.05 2.40 -1.56 0.00 3.02 -0.06 -2.24 115.26 112.77 1upn n ASN 172 Ca 0.35 -2.27 -0.07 0.00 -0.03 0.00 0.00 54.58 52.56 1upn n ASN 172 Cb 1.64 -0.17 -0.02 0.00 -0.61 0.00 0.00 39.78 40.63 1upn n ASN 172 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1upn n ALA 173 N -0.46 -0.33 -0.99 5.41 0.00 0.17 -1.18 120.51 123.14 1upn n ALA 173 Ca 0.07 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1upn n ALA 173 Cb 0.40 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1upn n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1upn n GLY 174 N -0.28 0.23 0.00 0.00 0.00 -1.25 -4.80 105.19 99.09 1upn n GLY 174 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1upn n GLY 174 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1upn n MET 175 N -0.84 1.05 -1.84 1.61 2.81 -0.33 -0.84 117.12 118.74 1upn n MET 175 Ca 0.00 -0.26 0.00 0.00 -1.81 0.00 0.00 57.70 55.63 1upn n MET 175 Cb 0.26 -0.73 0.00 0.00 -0.71 0.00 0.00 33.22 32.05 1upn n MET 175 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1upn n GLY 176 N 0.23 0.40 2.55 3.03 0.00 -0.68 -4.91 105.19 105.80 1upn n GLY 176 Ca 0.00 -0.90 -0.20 0.00 0.00 0.00 0.00 46.02 44.92 1upn n GLY 176 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1upn n VAL 177 N -3.83 0.00 -3.00 1.61 0.24 -1.21 -5.09 118.33 107.06 1upn n VAL 177 Ca 0.00 -1.77 -0.42 0.00 -2.04 0.00 0.00 64.34 60.11 1upn n VAL 177 Cb 0.43 0.57 -0.05 0.00 -1.47 0.00 0.00 33.84 33.31 1upn n VAL 177 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1upn s GLY 178 N -2.92 1.72 0.36 7.63 0.00 -1.26 -4.11 107.32 108.74 1upn s GLY 178 Ca 0.12 -0.55 0.12 0.00 0.00 0.00 0.00 44.72 44.41 1upn s GLY 178 CO 0.08 1.67 1.81 -0.24 0.00 0.00 0.00 173.10 176.42 1upn h VAL 179 N 5.62 0.68 0.00 1.40 3.04 -1.70 0.24 116.25 125.53 1upn h VAL 179 Ca -0.25 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.24 1upn h VAL 179 Cb 1.10 0.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.43 1upn h VAL 179 CO 0.87 0.11 0.00 0.61 -1.01 0.00 0.00 177.57 178.14 1upn n GLY 180 N -1.43 -0.40 0.67 3.17 0.00 -1.26 -1.45 105.19 104.49 1upn n GLY 180 Ca 0.22 -0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.24 1upn n GLY 180 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1upn n ASN 181 N -0.89 2.69 0.00 1.61 3.02 0.83 -4.53 115.26 117.98 1upn n ASN 181 Ca 0.08 -1.81 0.05 0.00 -0.03 0.00 0.00 54.58 52.86 1upn n ASN 181 Cb 0.03 -0.16 0.25 0.00 -0.61 0.00 0.00 39.78 39.29 1upn n ASN 181 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1upn n LEU 182 N 0.74 0.00 0.02 3.41 4.77 -0.53 -2.95 117.00 122.45 1upn n LEU 182 Ca 0.11 0.20 0.08 0.00 -0.03 0.00 0.00 56.01 56.38 1upn n LEU 182 Cb 0.41 -0.20 0.36 0.00 -2.33 0.00 0.00 43.42 41.65 1upn n LEU 182 CO 0.09 -0.14 0.76 0.35 -1.33 0.00 0.00 177.39 177.12 1upn n THR 183 N -1.20 0.90 1.02 -5.08 -2.24 -1.26 -2.32 114.28 104.09 1upn n THR 183 Ca 0.05 0.22 0.09 0.00 -2.27 0.00 0.00 64.05 62.15 1upn n THR 183 Cb 0.06 -0.98 0.51 0.00 -2.10 0.00 0.00 70.33 67.83 1upn n THR 183 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1upn n ILE 184 N -1.60 0.26 -3.96 2.28 -6.64 -1.15 -4.68 119.36 103.87 1upn n ILE 184 Ca 0.04 0.07 -0.26 0.00 -1.77 0.00 0.00 62.75 60.82 1upn n ILE 184 Cb 0.19 -0.76 -0.03 0.00 -1.44 0.00 0.00 39.64 37.60 1upn n ILE 184 CO 0.00 0.00 0.00 -0.36 -1.77 0.00 0.00 176.55 174.42 1upn s PHE 185 N -2.34 3.44 0.17 4.28 2.99 -0.98 -5.04 117.98 120.50 1upn s PHE 185 Ca 0.22 0.11 -0.34 0.00 0.00 0.00 0.00 56.93 56.92 1upn s PHE 185 Cb 0.13 -1.65 -0.14 0.00 0.00 0.00 0.00 43.02 41.35 1upn s PHE 185 CO 0.26 0.52 1.45 -2.30 -0.00 0.00 0.00 175.22 175.15 1upn n PRO 186 N -0.47 1.85 -3.70 0.24 -0.02 -1.26 -4.85 135.00 126.80 1upn n PRO 186 Ca -0.07 0.67 -0.03 0.00 -2.02 0.00 0.00 63.50 62.05 1upn n PRO 186 Cb 0.54 -2.36 -0.01 0.00 -0.02 0.00 0.00 33.50 31.65 1upn n PRO 186 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1upn s HIS 187 N 0.46 -0.13 0.16 6.00 -3.43 -1.26 -2.09 115.29 115.00 1upn s HIS 187 Ca 0.76 -0.11 -0.02 0.00 -0.80 0.00 0.00 55.06 54.89 1upn s HIS 187 Cb -0.73 0.61 -0.03 0.00 -1.43 0.00 0.00 32.58 30.99 1upn s HIS 187 CO 0.44 -0.66 0.12 -0.65 -2.00 0.00 0.00 174.74 171.99 1upn s GLN 188 N -3.06 1.06 0.08 -0.38 -0.21 -0.66 -4.94 119.66 111.55 1upn s GLN 188 Ca 0.12 -1.45 0.07 0.00 0.02 0.00 0.00 55.36 54.11 1upn s GLN 188 Cb 0.00 0.28 -0.04 0.00 1.00 0.00 0.00 33.01 34.25 1upn s GLN 188 CO -0.00 -0.33 -0.13 -1.58 -2.12 0.00 0.00 175.29 171.13 1upn s TRP 189 N -4.07 2.68 -0.40 0.91 0.52 -1.26 -0.77 118.94 116.55 1upn s TRP 189 Ca 0.27 -0.18 -0.04 0.00 0.02 0.00 0.00 56.10 56.18 1upn s TRP 189 Cb 0.06 -1.44 0.10 0.00 -1.15 0.00 0.00 33.47 31.05 1upn s TRP 189 CO 0.05 0.38 0.20 0.42 0.02 0.00 0.00 176.95 178.01 1upn s ILE 190 N -1.12 3.37 -0.41 2.03 1.01 0.94 -4.90 121.20 122.13 1upn s ILE 190 Ca 0.19 -1.95 -0.15 0.00 0.00 0.00 0.00 60.65 58.75 1upn s ILE 190 Cb -0.11 -3.26 0.02 0.00 0.01 0.00 0.00 42.46 39.12 1upn s ILE 190 CO 0.11 -0.64 0.29 0.21 0.00 0.00 0.00 174.94 174.91 1upn s ASN 191 N 1.84 6.07 0.44 3.58 2.47 -1.26 -0.70 114.94 127.37 1upn s ASN 191 Ca 0.07 -0.93 0.23 0.00 0.42 0.00 0.00 52.86 52.65 1upn s ASN 191 Cb -0.23 -2.14 1.22 0.00 -1.45 0.00 0.00 41.25 38.65 1upn s ASN 191 CO -0.03 -0.45 1.78 -0.07 -3.72 0.00 0.00 177.10 174.61 1upn h LEU 192 N 8.61 0.32 -1.57 3.21 3.38 -1.42 0.40 115.31 128.24 1upn h LEU 192 Ca -0.27 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1upn h LEU 192 Cb 1.12 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1upn h LEU 192 CO 0.73 0.06 0.00 0.08 0.09 0.00 0.00 178.44 179.40 1upn h ARG 193 N 0.28 0.00 0.00 1.13 0.11 -1.83 -3.32 114.38 110.76 1upn h ARG 193 Ca 0.58 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.66 1upn h ARG 193 Cb 1.69 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.77 1upn h ARG 193 CO -0.22 0.00 -0.29 0.25 0.10 0.00 0.00 179.97 179.81 1upn n THR 194 N -2.94 0.00 -3.82 0.08 -2.24 0.12 -5.06 114.28 100.42 1upn n THR 194 Ca 0.00 -0.20 -0.12 0.00 -2.27 0.00 0.00 64.05 61.46 1upn n THR 194 Cb 0.25 0.73 -0.10 0.00 -2.10 0.00 0.00 70.33 69.11 1upn n THR 194 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1upn s ASN 195 N -0.97 -0.12 -0.05 3.42 2.47 0.08 -4.89 114.94 114.88 1upn s ASN 195 Ca 0.00 0.09 0.07 0.00 0.42 0.00 0.00 52.86 53.43 1upn s ASN 195 Cb 0.00 0.32 0.10 0.00 -1.45 0.00 0.00 41.25 40.22 1upn s ASN 195 CO 0.00 -0.30 0.98 -0.46 -3.72 0.00 0.00 177.10 173.60 1upn n ASN 196 N 1.89 1.50 -3.62 -4.21 0.23 -0.80 -4.17 115.26 106.08 1upn n ASN 196 Ca -0.19 -2.23 -0.05 0.00 -0.53 0.00 0.00 54.58 51.58 1upn n ASN 196 Cb 0.57 -0.18 -0.02 0.00 -2.08 0.00 0.00 39.78 38.07 1upn n ASN 196 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1upn s ALA 198 N -3.04 0.44 -0.09 0.00 0.00 0.18 -4.56 121.76 114.68 1upn s ALA 198 Ca 0.09 -0.17 -0.00 0.00 0.00 0.00 0.00 51.96 51.87 1upn s ALA 198 Cb -0.01 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 22.98 1upn s ALA 198 CO -0.04 0.08 -0.06 0.99 0.00 0.00 0.00 175.76 176.73 1upn s THR 199 N 0.07 0.87 -0.05 0.00 2.01 -1.26 -1.07 115.64 116.21 1upn s THR 199 Ca -0.00 -0.22 0.02 0.00 0.31 0.00 0.00 61.69 61.80 1upn s THR 199 Cb -0.04 -0.90 0.01 0.00 0.01 0.00 0.00 72.50 71.58 1upn s THR 199 CO -0.00 0.33 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.52 1upn s ILE 200 N 1.54 1.03 -0.27 1.82 1.01 -0.32 -0.89 121.20 125.12 1upn s ILE 200 Ca 0.01 -0.44 -0.07 0.00 0.00 0.00 0.00 60.65 60.15 1upn s ILE 200 Cb -0.13 -0.94 -0.01 0.00 0.01 0.00 0.00 42.46 41.39 1upn s ILE 200 CO -0.05 0.33 0.06 -0.69 0.00 0.00 0.00 174.94 174.59 1upn s VAL 201 N 0.54 4.05 -0.14 2.92 1.01 0.49 0.30 120.40 129.57 1upn s VAL 201 Ca -0.11 -0.46 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 1upn s VAL 201 Cb -0.14 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 1upn s VAL 201 CO 0.03 0.22 0.00 -0.04 0.00 0.00 0.00 175.10 175.31 1upn s MET 202 N 1.55 3.52 0.56 2.72 -1.94 0.52 0.75 119.30 126.97 1upn s MET 202 Ca 0.05 -0.43 -0.02 0.00 -1.71 0.00 0.00 55.69 53.57 1upn s MET 202 Cb -0.16 -2.95 0.02 0.00 2.01 0.00 0.00 34.83 33.75 1upn s MET 202 CO 0.02 0.41 0.82 -1.25 -0.01 0.00 0.00 175.02 175.01 1upn s PRO 203 N -0.08 2.76 0.13 2.03 0.04 -1.26 -1.06 135.00 137.57 1upn s PRO 203 Ca 0.04 -0.38 -0.31 0.00 0.04 0.00 0.00 61.00 60.38 1upn s PRO 203 Cb -0.13 -2.40 -0.09 0.00 0.04 0.00 0.00 34.50 31.93 1upn s PRO 203 CO 0.02 -0.66 1.54 -0.47 0.04 0.00 0.00 177.00 177.48 1upn s TYR 204 N -2.84 2.97 -0.07 0.56 5.04 -1.26 -4.87 117.35 116.88 1upn s TYR 204 Ca 0.54 0.64 0.00 0.00 -2.44 0.00 0.00 57.07 55.82 1upn s TYR 204 Cb -0.10 -3.87 0.02 0.00 0.35 0.00 0.00 41.96 38.35 1upn s TYR 204 CO 0.41 -3.25 -0.06 0.42 -1.34 0.00 0.00 175.55 171.72 1upn s ILE 205 N 1.47 0.79 0.04 3.14 1.01 -1.26 -5.08 121.20 121.31 1upn s ILE 205 Ca 0.69 -0.21 -0.28 0.00 0.00 0.00 0.00 60.65 60.85 1upn s ILE 205 Cb -0.41 -0.81 0.10 0.00 0.01 0.00 0.00 42.46 41.35 1upn s ILE 205 CO 0.31 0.30 1.20 0.21 0.00 0.00 0.00 174.94 176.96 1upn s ASN 206 N 1.28 -0.06 -0.06 3.58 3.84 -1.26 -4.95 114.94 117.30 1upn s ASN 206 Ca -0.04 -0.26 0.21 0.00 0.21 0.00 0.00 52.86 52.98 1upn s ASN 206 Cb -0.14 0.26 0.70 0.00 -0.55 0.00 0.00 41.25 41.53 1upn s ASN 206 CO -0.02 -0.49 1.61 -0.46 -2.79 0.00 0.00 177.10 174.94 1upn n ASN 207 N -0.65 4.47 -3.95 -4.21 6.94 -1.26 -4.89 115.26 111.71 1upn n ASN 207 Ca -0.06 -2.25 -0.09 0.00 -0.02 0.00 0.00 54.58 52.16 1upn n ASN 207 Cb 0.61 -0.55 -0.10 0.00 -2.36 0.00 0.00 39.78 37.38 1upn n ASN 207 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1upn s VAL 208 N -1.47 0.12 0.48 3.53 -7.23 -1.26 -5.07 120.40 109.49 1upn s VAL 208 Ca 0.51 -0.96 0.18 0.00 -1.81 0.00 0.00 61.98 59.90 1upn s VAL 208 Cb 0.30 -0.53 0.24 0.00 0.56 0.00 0.00 36.38 36.95 1upn s VAL 208 CO 0.29 -0.53 2.07 1.55 -0.31 0.00 0.00 175.10 178.17 1upn h PRO 209 N 4.24 0.00 -4.04 4.82 0.13 -1.90 -3.45 132.00 131.81 1upn h PRO 209 Ca -0.32 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.68 1upn h PRO 209 Cb 1.20 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.21 1upn h PRO 209 CO 0.45 0.11 -0.33 -1.64 -0.23 0.00 0.00 178.00 176.36 1upn s MET 210 N -4.68 1.40 0.23 0.86 -1.94 -1.26 -4.94 119.30 108.96 1upn s MET 210 Ca -0.04 -1.41 -0.23 0.00 -1.71 0.00 0.00 55.69 52.31 1upn s MET 210 Cb 0.16 0.39 0.04 0.00 2.01 0.00 0.00 34.83 37.42 1upn s MET 210 CO 0.66 -0.54 0.83 0.34 -0.01 0.00 0.00 175.02 176.30 1upn s ASP 211 N -3.08 -0.21 0.10 3.03 -1.08 -1.06 -4.95 116.67 109.42 1upn s ASP 211 Ca 0.29 -0.54 -0.28 0.00 -0.52 0.00 0.00 52.55 51.51 1upn s ASP 211 Cb 0.02 0.62 -0.06 0.00 -1.46 0.00 0.00 42.92 42.05 1upn s ASP 211 CO 0.10 -1.16 0.89 0.21 0.52 0.00 0.00 175.17 175.73 1upn s ASN 212 N -2.94 7.41 0.00 -0.34 3.84 -1.26 -0.32 114.94 121.33 1upn s ASN 212 Ca 0.12 1.68 0.28 0.00 0.21 0.00 0.00 52.86 55.15 1upn s ASN 212 Cb -0.04 -2.55 1.11 0.00 -0.55 0.00 0.00 41.25 39.23 1upn s ASN 212 CO 0.05 -0.02 1.79 0.23 -2.79 0.00 0.00 177.10 176.36 1upn n MET 213 N 2.68 0.79 -0.10 0.43 2.81 -1.26 -3.37 117.12 119.10 1upn n MET 213 Ca 0.00 -0.34 -0.17 0.00 -1.81 0.00 0.00 57.70 55.39 1upn n MET 213 Cb 0.49 -1.49 -0.13 0.00 -0.71 0.00 0.00 33.22 31.38 1upn n MET 213 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1upn n PHE 214 N -0.81 0.20 0.24 2.03 3.72 -1.26 -3.91 117.46 117.67 1upn n PHE 214 Ca 0.14 0.05 0.12 0.00 -0.05 0.00 0.00 57.45 57.71 1upn n PHE 214 Cb 0.30 -1.03 0.21 0.00 -0.94 0.00 0.00 39.48 38.02 1upn n PHE 214 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1upn h ARG 215 N 0.01 0.00 -3.78 -1.08 2.43 -2.00 -3.45 114.38 106.52 1upn h ARG 215 Ca -0.54 0.00 -0.46 0.00 -0.81 0.00 0.00 59.98 58.17 1upn h ARG 215 Cb 1.98 0.00 -0.38 0.00 -0.42 0.00 0.00 29.97 31.15 1upn h ARG 215 CO -0.04 0.00 -0.77 -1.58 -1.51 0.00 0.00 179.97 176.07 1upn s HIS 216 N -3.23 0.83 -0.80 2.20 2.46 -1.22 -5.08 115.29 110.45 1upn s HIS 216 Ca 0.07 -0.31 -0.23 0.00 0.47 0.00 0.00 55.06 55.06 1upn s HIS 216 Cb 0.06 -0.89 0.07 0.00 -0.13 0.00 0.00 32.58 31.69 1upn s HIS 216 CO 0.66 -0.38 1.15 -1.01 -2.47 0.00 0.00 174.74 172.69 1upn s HIS 217 N 1.92 2.68 0.38 3.88 3.76 -1.26 -4.65 115.29 122.00 1upn s HIS 217 Ca 0.05 -0.71 0.14 0.00 -0.15 0.00 0.00 55.06 54.38 1upn s HIS 217 Cb -0.13 -4.43 0.98 0.00 1.11 0.00 0.00 32.58 30.12 1upn s HIS 217 CO -0.06 -1.74 1.82 -0.91 -0.85 0.00 0.00 174.74 172.99 1upn h ASN 218 N 9.52 0.53 -4.77 1.40 2.35 -1.93 -3.39 115.58 119.28 1upn h ASN 218 Ca -0.09 0.07 0.05 0.00 -0.55 0.00 0.00 56.30 55.78 1upn h ASN 218 Cb 1.04 -0.03 -0.14 0.00 0.05 0.00 0.00 38.32 39.24 1upn h ASN 218 CO 1.23 0.19 0.38 0.72 -1.65 0.00 0.00 177.43 178.29 1upn s PHE 219 N -5.57 -0.43 -0.07 1.19 -0.12 -1.26 -1.78 117.98 109.93 1upn s PHE 219 Ca -0.09 0.31 0.02 0.00 -0.05 0.00 0.00 56.93 57.12 1upn s PHE 219 Cb 0.24 0.54 -0.02 0.00 -0.63 0.00 0.00 43.02 43.14 1upn s PHE 219 CO 0.79 -0.66 -0.13 0.99 -0.05 0.00 0.00 175.22 176.17 1upn s THR 220 N -3.22 3.14 -0.22 -4.49 2.01 0.25 -0.93 115.64 112.19 1upn s THR 220 Ca 0.03 -0.68 -0.13 0.00 0.31 0.00 0.00 61.69 61.22 1upn s THR 220 Cb -0.01 -2.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 1upn s THR 220 CO -0.09 0.57 0.29 -0.22 -0.69 0.00 0.00 174.62 174.48 1upn s LEU 221 N -0.46 4.13 -0.07 4.42 2.96 -0.20 -0.32 118.68 129.14 1upn s LEU 221 Ca 0.06 0.33 0.05 0.00 -0.22 0.00 0.00 54.13 54.35 1upn s LEU 221 Cb -0.12 -2.33 -0.01 0.00 0.50 0.00 0.00 46.19 44.23 1upn s LEU 221 CO 0.02 -0.02 -0.25 -0.04 -1.32 0.00 0.00 176.35 174.74 1upn s MET 222 N 1.23 2.69 -0.26 1.98 -1.94 0.29 -1.47 119.30 121.82 1upn s MET 222 Ca 0.14 -0.90 0.03 0.00 -1.71 0.00 0.00 55.69 53.25 1upn s MET 222 Cb -0.14 -2.20 0.06 0.00 2.01 0.00 0.00 34.83 34.56 1upn s MET 222 CO 0.06 0.32 -0.09 0.42 -0.01 0.00 0.00 175.02 175.73 1upn s ILE 223 N -0.02 2.07 -0.20 2.53 1.01 -0.43 -1.57 121.20 124.61 1upn s ILE 223 Ca -0.08 -1.62 0.01 0.00 0.00 0.00 0.00 60.65 58.96 1upn s ILE 223 Cb -0.15 -2.23 0.04 0.00 0.01 0.00 0.00 42.46 40.13 1upn s ILE 223 CO 0.05 -0.08 -0.14 -0.63 0.00 0.00 0.00 174.94 174.15 1upn s ILE 224 N 1.13 1.84 -0.01 2.92 1.01 -0.77 -1.19 121.20 126.14 1upn s ILE 224 Ca -0.07 -1.04 -0.30 0.00 0.00 0.00 0.00 60.65 59.24 1upn s ILE 224 Cb -0.20 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 1upn s ILE 224 CO -0.05 0.28 1.23 -2.16 0.00 0.00 0.00 174.94 174.24 1upn s PRO 225 N 1.33 4.37 -0.14 2.79 0.04 -1.25 -1.52 135.00 140.61 1upn s PRO 225 Ca 0.00 1.75 0.05 0.00 0.04 0.00 0.00 61.00 62.84 1upn s PRO 225 Cb -0.15 -3.49 -0.23 0.00 0.04 0.00 0.00 34.50 30.66 1upn s PRO 225 CO -0.09 -0.41 0.28 1.19 0.04 0.00 0.00 177.00 178.01 1upn n PHE 226 N 4.82 0.72 -4.22 0.56 3.01 0.33 -4.77 117.46 117.91 1upn n PHE 226 Ca 0.11 0.20 -0.33 0.00 1.01 0.00 0.00 57.45 58.43 1upn n PHE 226 Cb 0.46 -1.11 -0.16 0.00 -0.01 0.00 0.00 39.48 38.66 1upn n PHE 226 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1upn s VAL 227 N -2.55 2.13 0.63 -4.37 1.01 -1.09 -4.97 120.40 111.18 1upn s VAL 227 Ca -0.18 -0.93 -0.16 0.00 0.00 0.00 0.00 61.98 60.71 1upn s VAL 227 Cb 0.07 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 1upn s VAL 227 CO 0.76 0.54 1.13 -2.16 0.00 0.00 0.00 175.10 175.37 1upn s PRO 228 N 1.20 2.89 0.36 2.72 0.04 -1.26 -0.51 135.00 140.44 1upn s PRO 228 Ca 0.03 1.52 -0.28 0.00 0.04 0.00 0.00 61.00 62.30 1upn s PRO 228 Cb -0.14 -1.95 -0.11 0.00 0.04 0.00 0.00 34.50 32.34 1upn s PRO 228 CO -0.10 -1.21 1.49 -0.11 0.04 0.00 0.00 177.00 177.11 1upn n LEU 229 N -2.10 4.62 -3.55 -3.56 0.00 -1.26 -4.27 117.00 106.87 1upn n LEU 229 Ca 0.11 1.21 -0.14 0.00 0.00 0.00 0.00 56.01 57.20 1upn n LEU 229 Cb 0.51 -1.61 -0.05 0.00 0.00 0.00 0.00 43.42 42.28 1upn n LEU 229 CO 0.46 0.11 0.31 0.21 0.00 0.00 0.00 177.39 178.48 1upn s ASN 230 N -0.03 -0.47 0.10 1.96 2.47 -0.58 -4.64 114.94 113.74 1upn s ASN 230 Ca 0.55 0.17 -0.18 0.00 0.42 0.00 0.00 52.86 53.81 1upn s ASN 230 Cb -0.49 0.51 0.06 0.00 -1.45 0.00 0.00 41.25 39.89 1upn s ASN 230 CO 0.61 -0.76 0.86 0.00 -3.72 0.00 0.00 177.10 174.09 1upn n TYR 231 N 0.28 -0.93 0.00 0.43 0.18 -1.26 -1.98 117.16 113.88 1upn n TYR 231 Ca -0.18 -0.86 0.00 0.00 1.88 0.00 0.00 57.90 58.74 1upn n TYR 231 Cb 0.61 0.41 0.00 0.00 -0.38 0.00 0.00 39.34 39.98 1upn n TYR 231 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 1upn n SER 232 N -1.06 0.00 0.00 9.48 7.64 -1.26 -4.91 113.62 123.50 1upn n SER 232 Ca -0.00 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.90 1upn n SER 232 Cb 0.45 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.76 1upn n SER 232 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1upn n SER 233 N 0.00 0.00 -3.51 6.43 3.41 -1.26 -4.67 113.62 114.02 1upn n SER 233 Ca 0.00 -1.36 -0.12 0.00 -0.26 0.00 0.00 58.87 57.13 1upn n SER 233 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1upn n SER 233 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1upn n ASP 234 N -0.57 0.01 -0.83 4.04 8.00 -1.26 -4.72 116.55 121.21 1upn n ASP 234 Ca 0.03 -1.40 0.00 0.00 0.71 0.00 0.00 54.79 54.13 1upn n ASP 234 Cb 0.01 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 1upn n ASP 234 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1upn n PHE 235 N 5.11 0.00 -3.34 1.24 0.99 -1.26 -3.96 117.46 116.23 1upn n PHE 235 Ca 0.13 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.45 1upn n PHE 235 Cb 0.18 -0.01 -0.07 0.00 -1.00 0.00 0.00 39.48 38.57 1upn n PHE 235 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 1upn s SER 236 N 0.00 0.93 -0.01 4.37 0.01 -1.26 -4.94 113.70 112.80 1upn s SER 236 Ca 0.00 -0.74 0.11 0.00 1.31 0.00 0.00 55.95 56.64 1upn s SER 236 Cb 0.00 0.82 -0.15 0.00 0.21 0.00 0.00 66.02 66.90 1upn s SER 236 CO 0.00 -0.35 0.36 0.35 0.41 0.00 0.00 173.24 174.01 1upn n THR 237 N 5.12 0.00 -2.90 1.44 -2.24 -1.25 -4.90 114.28 109.55 1upn n THR 237 Ca 0.02 -0.25 -0.43 0.00 -2.27 0.00 0.00 64.05 61.12 1upn n THR 237 Cb 0.48 0.59 -0.04 0.00 -2.10 0.00 0.00 70.33 69.26 1upn n THR 237 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1upn s TYR 238 N -2.46 2.82 -0.36 4.78 6.04 -1.26 -4.97 117.35 121.94 1upn s TYR 238 Ca -0.00 -0.20 0.01 0.00 0.04 0.00 0.00 57.07 56.93 1upn s TYR 238 Cb 0.08 -4.02 0.11 0.00 -1.04 0.00 0.00 41.96 37.09 1upn s TYR 238 CO 0.47 -1.35 0.12 0.08 -1.54 0.00 0.00 175.55 173.34 1upn s VAL 239 N 3.74 1.44 0.59 3.14 1.01 -1.26 -5.07 120.40 123.98 1upn s VAL 239 Ca 0.26 -1.99 -0.10 0.00 0.00 0.00 0.00 61.98 60.16 1upn s VAL 239 Cb -0.14 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1upn s VAL 239 CO 0.16 -0.71 0.97 -2.16 0.00 0.00 0.00 175.10 173.37 1upn s PRO 240 N 1.07 3.59 -0.03 2.72 0.04 -1.26 -1.45 135.00 139.67 1upn s PRO 240 Ca 0.12 0.62 0.04 0.00 0.04 0.00 0.00 61.00 61.83 1upn s PRO 240 Cb -0.20 -2.15 -0.01 0.00 0.04 0.00 0.00 34.50 32.19 1upn s PRO 240 CO -0.14 -0.48 -0.16 0.42 0.04 0.00 0.00 177.00 176.68 1upn s ILE 241 N -3.07 1.32 -0.03 0.56 1.01 0.04 -4.52 121.20 116.50 1upn s ILE 241 Ca 0.53 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 60.53 1upn s ILE 241 Cb -0.11 -1.13 0.01 0.00 0.01 0.00 0.00 42.46 41.24 1upn s ILE 241 CO 0.52 0.38 -0.09 -0.89 0.00 0.00 0.00 174.94 174.86 1upn s THR 242 N -0.06 0.80 -0.20 2.92 2.01 -0.24 -1.23 115.64 119.63 1upn s THR 242 Ca -0.01 -0.35 -0.05 0.00 0.31 0.00 0.00 61.69 61.59 1upn s THR 242 Cb -0.10 -0.72 -0.03 0.00 0.01 0.00 0.00 72.50 71.66 1upn s THR 242 CO 0.01 0.26 0.01 -0.69 -0.69 0.00 0.00 174.62 173.52 1upn s VAL 243 N 0.32 4.03 -0.08 3.82 1.01 -1.26 0.13 120.40 128.36 1upn s VAL 243 Ca -0.05 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.67 1upn s VAL 243 Cb -0.10 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.46 1upn s VAL 243 CO 0.01 0.42 -0.19 -0.89 0.00 0.00 0.00 175.10 174.46 1upn s THR 244 N 1.01 1.62 0.04 3.92 2.01 -0.60 -0.95 115.64 122.69 1upn s THR 244 Ca 0.02 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.28 1upn s THR 244 Cb -0.14 -1.43 -0.02 0.00 0.01 0.00 0.00 72.50 70.92 1upn s THR 244 CO 0.02 0.46 -0.09 0.54 -0.69 0.00 0.00 174.62 174.86 1upn s VAL 245 N 0.45 0.68 -0.15 3.82 0.11 -0.18 -0.58 120.40 124.55 1upn s VAL 245 Ca -0.16 -1.05 -0.01 0.00 -2.93 0.00 0.00 61.98 57.83 1upn s VAL 245 Cb -0.17 -0.70 0.04 0.00 -1.53 0.00 0.00 36.38 34.02 1upn s VAL 245 CO 0.06 -0.28 -0.03 0.00 -3.33 0.00 0.00 175.10 171.52 1upn s ALA 246 N -1.22 1.25 0.53 1.54 0.00 0.16 -0.65 121.76 123.37 1upn s ALA 246 Ca -0.07 -0.64 -0.22 0.00 0.00 0.00 0.00 51.96 51.03 1upn s ALA 246 Cb -0.09 -1.03 -0.05 0.00 0.00 0.00 0.00 23.12 21.94 1upn s ALA 246 CO 0.01 -0.73 1.38 -2.14 0.00 0.00 0.00 175.76 174.28 1upn s PRO 247 N 1.74 3.23 -0.06 0.00 0.02 -1.25 -1.23 135.00 137.44 1upn s PRO 247 Ca 0.02 2.29 0.02 0.00 0.02 0.00 0.00 61.00 63.34 1upn s PRO 247 Cb -0.15 -2.33 0.02 0.00 0.02 0.00 0.00 34.50 32.06 1upn s PRO 247 CO -0.07 -1.14 -0.09 -1.64 -0.33 0.00 0.00 177.00 173.73 1upn s MET 248 N -2.83 1.38 -1.17 5.54 -1.94 0.25 -3.90 119.30 116.63 1upn s MET 248 Ca 0.70 -0.29 -0.05 0.00 -1.71 0.00 0.00 55.69 54.33 1upn s MET 248 Cb -0.41 -1.21 0.01 0.00 2.01 0.00 0.00 34.83 35.22 1upn s MET 248 CO 0.50 -0.03 1.01 0.00 -0.01 0.00 0.00 175.02 176.49 1upn s ALA 250 N -3.30 3.54 0.01 0.00 0.00 -1.26 -4.52 121.76 116.23 1upn s ALA 250 Ca 0.34 1.06 0.01 0.00 0.00 0.00 0.00 51.96 53.37 1upn s ALA 250 Cb -0.15 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 1upn s ALA 250 CO 0.65 -0.56 -0.03 -1.83 0.00 0.00 0.00 175.76 174.00 1upn s GLU 251 N 0.78 0.23 0.06 0.00 -1.05 -0.47 -4.46 118.70 113.78 1upn s GLU 251 Ca 0.61 -0.31 0.07 0.00 -0.15 0.00 0.00 54.97 55.19 1upn s GLU 251 Cb -0.35 -0.07 -0.03 0.00 -0.44 0.00 0.00 34.13 33.24 1upn s GLU 251 CO 0.32 0.01 -0.18 0.71 0.95 0.00 0.00 175.26 177.07 1upn s TYR 252 N -0.63 1.57 0.10 4.83 2.02 -0.89 -1.65 117.35 122.69 1upn s TYR 252 Ca -0.06 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.27 1upn s TYR 252 Cb -0.05 -0.91 -0.04 0.00 -0.40 0.00 0.00 41.96 40.56 1upn s TYR 252 CO -0.00 0.10 -0.07 -0.80 -1.57 0.00 0.00 175.55 173.21 1upn s ASN 253 N -1.40 1.18 -0.52 2.29 -0.87 -0.27 -1.79 114.94 113.56 1upn s ASN 253 Ca 0.04 -1.00 -0.02 0.00 -1.57 0.00 0.00 52.86 50.32 1upn s ASN 253 Cb -0.09 0.09 -0.02 0.00 -0.02 0.00 0.00 41.25 41.21 1upn s ASN 253 CO 0.02 -0.45 0.47 0.61 -2.57 0.00 0.00 177.10 175.18 1upn n GLY 254 N -0.04 -0.62 3.75 0.66 0.00 -1.26 -1.65 105.19 106.03 1upn n GLY 254 Ca -0.12 0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1upn n GLY 254 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1upn s LEU 255 N -3.71 4.61 0.00 0.99 2.96 -1.26 -1.48 118.68 120.79 1upn s LEU 255 Ca 0.12 2.03 0.00 0.00 -0.22 0.00 0.00 54.13 56.06 1upn s LEU 255 Cb -0.02 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.06 1upn s LEU 255 CO 0.44 0.05 0.00 -2.11 -1.32 0.00 0.00 176.35 173.41 1upn n ARG 256 N 1.52 0.00 -0.98 1.98 -4.01 -0.83 -4.99 116.66 109.34 1upn n ARG 256 Ca -0.01 0.00 -0.31 0.00 -1.04 0.00 0.00 57.85 56.49 1upn n ARG 256 Cb 0.46 0.00 0.13 0.00 -3.04 0.00 0.00 32.46 30.01 1upn n ARG 256 CO 0.00 0.00 0.00 -0.48 -3.04 0.00 0.00 177.63 174.11 1upn s LEU 257 N 0.00 2.94 0.45 2.89 2.34 -1.26 -4.76 118.68 121.27 1upn s LEU 257 Ca 0.00 2.00 -0.24 0.00 0.06 0.00 0.00 54.13 55.95 1upn s LEU 257 Cb 0.00 -4.54 -0.08 0.00 -0.56 0.00 0.00 46.19 41.01 1upn s LEU 257 CO 0.00 -2.56 1.22 -0.55 -1.06 0.00 0.00 176.35 173.40 1upn s SER 258 N -3.04 6.17 0.43 1.48 0.15 -1.26 -4.75 113.70 112.88 1upn s SER 258 Ca 0.64 2.44 -0.24 0.00 0.70 0.00 0.00 55.95 59.50 1upn s SER 258 Cb -0.20 -2.62 -0.08 0.00 -1.71 0.00 0.00 66.02 61.41 1upn s SER 258 CO 0.57 -0.93 1.13 -0.89 1.20 0.00 0.00 173.24 174.32 1upn s THR 259 N -1.43 3.31 -0.44 6.45 2.01 -0.78 -4.97 115.64 119.80 1upn s THR 259 Ca 0.62 1.00 -0.28 0.00 0.31 0.00 0.00 61.69 63.34 1upn s THR 259 Cb -0.32 -3.52 -0.00 0.00 0.01 0.00 0.00 72.50 68.67 1upn s THR 259 CO 0.40 0.01 1.59 0.00 -0.69 0.00 0.00 174.62 175.92 1upn s ALA 260 N -1.57 2.84 -1.16 7.40 0.00 -1.26 -5.03 121.76 122.98 1upn s ALA 260 Ca 0.61 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.39 1upn s ALA 260 Cb -0.27 -4.04 0.00 0.00 0.00 0.00 0.00 23.12 18.82 1upn s ALA 260 CO 0.33 -2.75 0.29 1.28 0.00 0.00 0.00 175.76 174.91