#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jwn s VAL 2 N 0.00 4.51 0.07 1.61 1.01 -1.26 -2.54 120.40 123.79 3jwn s VAL 2 Ca 0.00 2.02 0.02 0.00 0.00 0.00 0.00 61.98 64.02 3jwn s VAL 2 Cb 0.00 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 3jwn s VAL 2 CO 0.00 0.33 -0.08 0.00 0.00 0.00 0.00 175.10 175.35 3jwn s ALA 3 N -0.08 0.79 -0.01 5.51 0.00 0.40 -4.98 121.76 123.40 3jwn s ALA 3 Ca 0.46 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.40 3jwn s ALA 3 Cb -0.23 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 3jwn s ALA 3 CO 0.29 -0.07 0.17 -0.51 0.00 0.00 0.00 175.76 175.64 3jwn s LEU 4 N -2.11 4.30 -0.01 0.00 1.43 -1.26 -0.99 118.68 120.04 3jwn s LEU 4 Ca -0.01 0.32 0.01 0.00 -1.03 0.00 0.00 54.13 53.41 3jwn s LEU 4 Cb -0.05 -2.57 0.03 0.00 0.03 0.00 0.00 46.19 43.64 3jwn s LEU 4 CO -0.01 0.26 0.69 0.61 0.23 0.00 0.00 176.35 178.13 3jwn n GLY 5 N 0.97 0.85 3.50 -3.19 0.00 0.84 -4.83 105.19 103.34 3jwn n GLY 5 Ca -0.11 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 3jwn n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jwn s ALA 6 N -1.33 -1.79 -2.05 4.61 0.00 -1.26 -4.82 121.76 115.12 3jwn s ALA 6 Ca 0.02 1.05 0.22 0.00 0.00 0.00 0.00 51.96 53.25 3jwn s ALA 6 Cb 0.02 0.25 0.01 0.00 0.00 0.00 0.00 23.12 23.40 3jwn s ALA 6 CO 0.01 -0.59 1.07 0.25 0.00 0.00 0.00 175.76 176.50 3jwn n THR 7 N 0.08 0.00 -3.87 0.00 -2.24 -1.26 -4.99 114.28 102.01 3jwn n THR 7 Ca -0.12 -0.30 -0.08 0.00 -2.27 0.00 0.00 64.05 61.28 3jwn n THR 7 Cb 0.61 1.27 -0.03 0.00 -2.10 0.00 0.00 70.33 70.09 3jwn n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3jwn s ARG 8 N -2.32 1.70 -0.04 -0.78 3.03 -1.26 -3.99 118.95 115.29 3jwn s ARG 8 Ca 0.19 -1.02 0.00 0.00 2.03 0.00 0.00 55.73 56.93 3jwn s ARG 8 Cb 0.17 0.57 0.03 0.00 -1.03 0.00 0.00 34.95 34.69 3jwn s ARG 8 CO 0.51 -0.76 -0.01 0.08 -1.13 0.00 0.00 175.30 173.99 3jwn s VAL 9 N -3.93 0.31 -0.20 4.99 1.01 -0.32 -4.99 120.40 117.28 3jwn s VAL 9 Ca 0.13 0.02 -0.14 0.00 0.00 0.00 0.00 61.98 61.99 3jwn s VAL 9 Cb -0.04 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 3jwn s VAL 9 CO 0.06 0.18 0.30 -0.63 0.00 0.00 0.00 175.10 175.01 3jwn s ILE 10 N 1.07 5.28 -0.49 2.22 -1.09 -1.26 -1.20 121.20 125.73 3jwn s ILE 10 Ca -0.09 0.52 -0.03 0.00 -2.23 0.00 0.00 60.65 58.82 3jwn s ILE 10 Cb -0.14 -3.64 0.13 0.00 -1.58 0.00 0.00 42.46 37.23 3jwn s ILE 10 CO -0.01 0.32 0.29 -0.47 -1.23 0.00 0.00 174.94 173.84 3jwn s TYR 11 N 0.93 3.52 0.22 3.97 5.04 0.16 -4.95 117.35 126.24 3jwn s TYR 11 Ca 0.15 -2.51 -0.30 0.00 -2.44 0.00 0.00 57.07 51.98 3jwn s TYR 11 Cb -0.14 -3.22 -0.09 0.00 0.35 0.00 0.00 41.96 38.86 3jwn s TYR 11 CO 0.05 -0.93 1.30 -2.14 -1.34 0.00 0.00 175.55 172.49 3jwn s PRO 12 N 0.73 4.40 0.40 4.97 0.02 -1.26 -0.93 135.00 143.33 3jwn s PRO 12 Ca 0.11 2.06 -0.27 0.00 0.02 0.00 0.00 61.00 62.92 3jwn s PRO 12 Cb -0.22 -3.18 -0.10 0.00 0.02 0.00 0.00 34.50 31.02 3jwn s PRO 12 CO -0.04 -0.22 1.45 0.00 -0.33 0.00 0.00 177.00 177.86 3jwn n ALA 13 N 2.35 2.15 0.00 -1.55 0.00 -0.13 -2.13 120.51 121.19 3jwn n ALA 13 Ca 0.05 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3jwn n ALA 13 Cb 0.43 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.48 3jwn n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jwn n GLY 14 N 0.53 3.00 3.74 0.00 0.00 -1.26 -4.68 105.19 106.52 3jwn n GLY 14 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3jwn n GLY 14 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jwn s GLN 15 N -0.12 4.25 0.24 1.61 -1.52 -0.91 -4.91 119.66 118.31 3jwn s GLN 15 Ca 0.00 2.32 0.25 0.00 -1.95 0.00 0.00 55.36 55.98 3jwn s GLN 15 Cb 0.00 -3.12 0.69 0.00 -0.22 0.00 0.00 33.01 30.36 3jwn s GLN 15 CO 0.00 -0.46 1.71 0.87 -0.25 0.00 0.00 175.29 177.16 3jwn h LYS 16 N 5.38 0.00 -2.07 2.91 1.79 -1.96 -3.43 116.57 119.20 3jwn h LYS 16 Ca -0.45 0.00 0.17 0.00 -2.18 0.00 0.00 60.65 58.18 3jwn h LYS 16 Cb 1.22 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.72 3jwn h LYS 16 CO 0.80 0.00 0.58 1.14 -1.08 0.00 0.00 179.45 180.89 3jwn s GLN 17 N -3.13 0.76 0.03 3.15 -2.07 -1.26 -4.20 119.66 112.94 3jwn s GLN 17 Ca 0.10 -0.32 0.00 0.00 -1.82 0.00 0.00 55.36 53.31 3jwn s GLN 17 Cb 0.11 0.32 -0.02 0.00 -1.09 0.00 0.00 33.01 32.32 3jwn s GLN 17 CO 0.62 -0.34 -0.04 -1.21 -1.32 0.00 0.00 175.29 173.01 3jwn s GLU 18 N -2.96 0.41 0.09 9.60 0.41 -0.60 -4.97 118.70 120.69 3jwn s GLU 18 Ca 0.08 -0.77 0.04 0.00 -0.41 0.00 0.00 54.97 53.91 3jwn s GLU 18 Cb -0.01 0.06 -0.04 0.00 -1.78 0.00 0.00 34.13 32.37 3jwn s GLU 18 CO -0.06 -0.05 0.07 -0.65 -0.49 0.00 0.00 175.26 174.09 3jwn s GLN 19 N -2.01 2.84 -0.13 1.61 -0.21 -1.26 -0.71 119.66 119.79 3jwn s GLN 19 Ca -0.10 -0.73 -0.05 0.00 0.02 0.00 0.00 55.36 54.50 3jwn s GLN 19 Cb -0.06 -2.69 0.06 0.00 1.00 0.00 0.00 33.01 31.32 3jwn s GLN 19 CO -0.03 0.55 0.27 -1.17 -2.12 0.00 0.00 175.29 172.79 3jwn s LEU 20 N -2.46 -0.09 0.00 2.90 2.96 -0.54 -4.96 118.68 116.49 3jwn s LEU 20 Ca 0.29 0.60 -0.27 0.00 -0.22 0.00 0.00 54.13 54.53 3jwn s LEU 20 Cb -0.12 0.75 -0.04 0.00 0.50 0.00 0.00 46.19 47.28 3jwn s LEU 20 CO 0.22 -0.22 0.85 0.00 -1.32 0.00 0.00 176.35 175.88 3jwn s ALA 21 N 2.04 3.27 -0.14 5.97 0.00 -1.26 0.06 121.76 131.69 3jwn s ALA 21 Ca -0.02 0.37 0.02 0.00 0.00 0.00 0.00 51.96 52.32 3jwn s ALA 21 Cb -0.11 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.86 3jwn s ALA 21 CO -0.09 -0.11 -0.20 0.08 0.00 0.00 0.00 175.76 175.45 3jwn s VAL 22 N 0.61 2.30 -0.04 0.00 1.01 -0.42 -0.11 120.40 123.75 3jwn s VAL 22 Ca 0.44 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.55 3jwn s VAL 22 Cb -0.20 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.25 3jwn s VAL 22 CO 0.24 0.54 -0.12 -0.89 0.00 0.00 0.00 175.10 174.87 3jwn s THR 23 N 0.76 1.03 -0.23 3.92 2.01 -0.17 -1.46 115.64 121.51 3jwn s THR 23 Ca -0.08 -0.47 -0.05 0.00 0.31 0.00 0.00 61.69 61.40 3jwn s THR 23 Cb -0.16 -0.92 -0.02 0.00 0.01 0.00 0.00 72.50 71.41 3jwn s THR 23 CO -0.00 0.32 0.01 0.21 -0.69 0.00 0.00 174.62 174.47 3jwn s ASN 24 N 0.32 4.75 0.05 3.53 2.47 -0.51 -0.45 114.94 125.10 3jwn s ASN 24 Ca -0.07 -0.27 0.22 0.00 0.42 0.00 0.00 52.86 53.16 3jwn s ASN 24 Cb -0.12 -1.83 -0.11 0.00 -1.45 0.00 0.00 41.25 37.74 3jwn s ASN 24 CO 0.02 -0.00 0.84 -0.46 -3.72 0.00 0.00 177.10 173.78 3jwn n ASN 25 N 4.71 0.50 -4.58 -4.21 0.23 -1.05 -1.73 115.26 109.12 3jwn n ASN 25 Ca -0.17 -0.11 -0.43 0.00 -0.53 0.00 0.00 54.58 53.34 3jwn n ASN 25 Cb 0.51 1.13 -0.04 0.00 -2.08 0.00 0.00 39.78 39.30 3jwn n ASN 25 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3jwn s ASP 26 N -4.31 6.56 0.01 0.53 -1.08 -1.26 -4.79 116.67 112.33 3jwn s ASP 26 Ca -0.00 0.29 0.16 0.00 -0.52 0.00 0.00 52.55 52.48 3jwn s ASP 26 Cb 0.13 -2.44 0.69 0.00 -1.46 0.00 0.00 42.92 39.85 3jwn s ASP 26 CO 0.84 -0.92 1.52 -1.84 0.52 0.00 0.00 175.17 175.29 3jwn n GLU 27 N 6.86 0.01 -0.20 4.34 0.28 -1.26 -2.87 120.64 127.79 3jwn n GLU 27 Ca 0.05 0.23 0.10 0.00 -0.16 0.00 0.00 57.16 57.39 3jwn n GLU 27 Cb 0.48 -1.52 0.20 0.00 1.43 0.00 0.00 31.44 32.04 3jwn n GLU 27 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3jwn n ASN 28 N -1.54 3.28 -4.51 -1.84 3.02 -1.26 -4.46 115.26 107.96 3jwn n ASN 28 Ca 0.04 -1.94 -0.28 0.00 -0.03 0.00 0.00 54.58 52.37 3jwn n ASN 28 Cb 0.19 -0.27 -0.11 0.00 -0.61 0.00 0.00 39.78 38.98 3jwn n ASN 28 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3jwn s SER 29 N -1.21 3.95 -0.07 6.41 0.01 -1.14 -5.01 113.70 116.65 3jwn s SER 29 Ca 0.34 -0.59 0.01 0.00 1.31 0.00 0.00 55.95 57.02 3jwn s SER 29 Cb 0.19 -0.57 0.02 0.00 0.21 0.00 0.00 66.02 65.88 3jwn s SER 29 CO 0.26 0.15 -0.07 -0.89 0.41 0.00 0.00 173.24 173.11 3jwn s THR 30 N -1.35 0.80 0.07 1.44 2.01 -1.26 -1.07 115.64 116.28 3jwn s THR 30 Ca 0.20 -0.25 0.09 0.00 0.31 0.00 0.00 61.69 62.05 3jwn s THR 30 Cb -0.10 -0.80 -0.03 0.00 0.01 0.00 0.00 72.50 71.58 3jwn s THR 30 CO 0.11 0.30 -0.25 -0.31 -0.69 0.00 0.00 174.62 173.78 3jwn s TYR 31 N 1.06 2.35 -0.13 4.92 2.02 -0.68 -1.34 117.35 125.56 3jwn s TYR 31 Ca -0.08 -0.38 -0.23 0.00 -0.37 0.00 0.00 57.07 56.01 3jwn s TYR 31 Cb -0.14 -1.36 -0.03 0.00 -0.40 0.00 0.00 41.96 40.02 3jwn s TYR 31 CO -0.01 0.20 0.70 -0.51 -1.57 0.00 0.00 175.55 174.37 3jwn s LEU 32 N -1.49 4.24 -0.25 -1.29 1.43 0.64 -1.16 118.68 120.79 3jwn s LEU 32 Ca 0.13 1.08 -0.07 0.00 -1.03 0.00 0.00 54.13 54.24 3jwn s LEU 32 Cb -0.10 -3.05 -0.02 0.00 0.03 0.00 0.00 46.19 43.05 3jwn s LEU 32 CO 0.04 -0.22 0.06 -0.63 0.23 0.00 0.00 176.35 175.83 3jwn s ILE 33 N 1.39 4.19 -0.15 -0.59 -1.09 0.87 -0.98 121.20 124.84 3jwn s ILE 33 Ca 0.35 -0.27 0.01 0.00 -2.23 0.00 0.00 60.65 58.51 3jwn s ILE 33 Cb -0.17 -2.99 0.01 0.00 -1.58 0.00 0.00 42.46 37.73 3jwn s ILE 33 CO 0.14 0.31 -0.19 -1.58 -1.23 0.00 0.00 174.94 172.39 3jwn s GLN 34 N 1.59 3.10 0.02 2.79 0.74 -0.59 -2.02 119.66 125.29 3jwn s GLN 34 Ca 0.06 -0.81 0.05 0.00 0.05 0.00 0.00 55.36 54.71 3jwn s GLN 34 Cb -0.15 -2.53 -0.02 0.00 1.10 0.00 0.00 33.01 31.41 3jwn s GLN 34 CO 0.03 -0.02 -0.15 -1.12 -0.55 0.00 0.00 175.29 173.48 3jwn s SER 35 N 0.86 1.73 0.15 6.67 0.01 -0.80 -0.56 113.70 121.75 3jwn s SER 35 Ca -0.05 -0.37 -0.24 0.00 1.31 0.00 0.00 55.95 56.60 3jwn s SER 35 Cb -0.15 -0.15 0.07 0.00 0.21 0.00 0.00 66.02 65.99 3jwn s SER 35 CO -0.02 0.11 0.70 -1.66 0.41 0.00 0.00 173.24 172.78 3jwn s TRP 36 N -0.60 -0.41 0.02 2.43 -2.14 -0.76 -4.78 118.94 112.71 3jwn s TRP 36 Ca 0.04 0.17 0.03 0.00 2.66 0.00 0.00 56.10 59.00 3jwn s TRP 36 Cb -0.07 0.59 -0.04 0.00 -3.10 0.00 0.00 33.47 30.85 3jwn s TRP 36 CO 0.00 -0.85 -0.03 0.08 -2.66 0.00 0.00 176.95 173.49 3jwn s VAL 37 N -3.62 3.88 0.14 -0.66 1.01 -1.26 -0.92 120.40 118.97 3jwn s VAL 37 Ca 0.04 -0.77 0.09 0.00 0.00 0.00 0.00 61.98 61.34 3jwn s VAL 37 Cb -0.02 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 3jwn s VAL 37 CO -0.08 0.33 -0.21 -1.61 0.00 0.00 0.00 175.10 173.54 3jwn s GLU 38 N -1.65 1.25 1.00 2.72 2.02 0.20 -4.31 118.70 119.92 3jwn s GLU 38 Ca 0.20 -1.32 -0.17 0.00 0.02 0.00 0.00 54.97 53.70 3jwn s GLU 38 Cb -0.11 -1.45 0.23 0.00 0.10 0.00 0.00 34.13 32.90 3jwn s GLU 38 CO 0.11 0.32 1.35 0.54 0.02 0.00 0.00 175.26 177.59 3jwn s ASN 39 N -2.32 2.79 0.62 -0.19 2.20 -0.71 -0.19 114.94 117.14 3jwn s ASN 39 Ca 0.12 0.17 0.32 0.00 -0.94 0.00 0.00 52.86 52.53 3jwn s ASN 39 Cb -0.08 -0.12 1.79 0.00 -2.00 0.00 0.00 41.25 40.84 3jwn s ASN 39 CO 0.06 -2.93 2.10 0.00 -2.94 0.00 0.00 177.10 173.39 3jwn h ALA 40 N -1.78 1.57 -0.53 3.54 0.00 -1.91 -0.28 119.26 119.87 3jwn h ALA 40 Ca -0.44 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 3jwn h ALA 40 Cb 1.22 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3jwn h ALA 40 CO 0.32 -0.27 0.01 -0.25 0.00 0.00 0.00 179.25 179.05 3jwn n ASP 41 N -3.46 5.29 -1.29 0.00 8.00 -1.26 -4.95 116.55 118.88 3jwn n ASP 41 Ca 0.00 -2.85 -0.12 0.00 0.71 0.00 0.00 54.79 52.53 3jwn n ASP 41 Cb 0.31 -0.67 -0.02 0.00 -0.02 0.00 0.00 41.12 40.72 3jwn n ASP 41 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3jwn n GLY 42 N 0.55 0.27 3.45 0.44 0.00 -0.12 -5.02 105.19 104.77 3jwn n GLY 42 Ca 0.26 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 3jwn n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jwn s VAL 43 N -2.58 3.46 -1.00 1.61 1.01 -1.26 -4.85 120.40 116.79 3jwn s VAL 43 Ca 0.00 -0.52 -0.25 0.00 0.00 0.00 0.00 61.98 61.21 3jwn s VAL 43 Cb 0.00 -2.47 -0.18 0.00 0.00 0.00 0.00 36.38 33.73 3jwn s VAL 43 CO 0.00 0.52 1.97 0.29 0.00 0.00 0.00 175.10 177.88 3jwn n LYS 44 N 3.33 0.90 0.05 2.72 5.02 -1.26 -1.74 118.16 127.19 3jwn n LYS 44 Ca -0.18 -2.00 0.13 0.00 -2.02 0.00 0.00 58.31 54.25 3jwn n LYS 44 Cb 0.53 -3.62 0.50 0.00 -0.02 0.00 0.00 35.03 32.42 3jwn n LYS 44 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3jwn n ASP 45 N 15.29 0.41 -0.72 4.39 5.68 -1.26 -4.92 116.55 135.42 3jwn n ASP 45 Ca 0.44 0.54 -0.08 0.00 -0.50 0.00 0.00 54.79 55.19 3jwn n ASP 45 Cb 0.46 -0.65 -0.03 0.00 -1.14 0.00 0.00 41.12 39.76 3jwn n ASP 45 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3jwn n GLY 46 N 1.29 0.70 0.19 6.12 0.00 -1.26 -4.89 105.19 107.33 3jwn n GLY 46 Ca 0.06 -0.64 0.08 0.00 0.00 0.00 0.00 46.02 45.52 3jwn n GLY 46 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3jwn h ARG 47 N 0.00 0.00 -6.51 1.61 2.47 -1.91 -3.44 114.38 106.60 3jwn h ARG 47 Ca -0.17 0.00 -0.64 0.00 -1.26 0.00 0.00 59.98 57.91 3jwn h ARG 47 Cb 0.72 0.00 -0.24 0.00 -1.65 0.00 0.00 29.97 28.80 3jwn h ARG 47 CO 0.24 0.23 -0.86 -0.06 0.56 0.00 0.00 179.97 180.08 3jwn s PHE 48 N -3.12 2.08 -0.10 3.04 0.08 -1.26 0.04 117.98 118.74 3jwn s PHE 48 Ca 0.05 -0.40 0.03 0.00 0.12 0.00 0.00 56.93 56.74 3jwn s PHE 48 Cb 0.06 -1.19 -0.01 0.00 -0.57 0.00 0.00 43.02 41.32 3jwn s PHE 48 CO 0.70 0.20 -0.21 0.42 -0.10 0.00 0.00 175.22 176.23 3jwn s ILE 49 N -0.96 2.33 -0.18 0.64 -1.09 -0.21 -4.70 121.20 117.04 3jwn s ILE 49 Ca 0.10 -0.93 -0.08 0.00 -2.23 0.00 0.00 60.65 57.51 3jwn s ILE 49 Cb -0.10 -1.91 -0.04 0.00 -1.58 0.00 0.00 42.46 38.83 3jwn s ILE 49 CO 0.04 0.55 0.10 -0.69 -1.23 0.00 0.00 174.94 173.71 3jwn s VAL 50 N 0.25 5.17 -0.02 2.92 1.01 -1.26 0.26 120.40 128.74 3jwn s VAL 50 Ca -0.14 0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.94 3jwn s VAL 50 Cb -0.17 -3.33 0.02 0.00 0.00 0.00 0.00 36.38 32.91 3jwn s VAL 50 CO 0.07 0.48 0.02 0.28 0.00 0.00 0.00 175.10 175.95 3jwn s THR 51 N 0.09 0.02 0.24 3.92 -1.32 -0.03 -3.35 115.64 115.21 3jwn s THR 51 Ca 0.08 0.14 -0.30 0.00 -1.21 0.00 0.00 61.69 60.40 3jwn s THR 51 Cb -0.12 -0.13 -0.09 0.00 -1.51 0.00 0.00 72.50 70.66 3jwn s THR 51 CO -0.00 0.09 1.14 -2.16 -2.21 0.00 0.00 174.62 171.48 3jwn s PRO 52 N 0.88 4.57 0.34 7.08 0.04 -1.26 -0.83 135.00 145.82 3jwn s PRO 52 Ca -0.08 1.84 0.18 0.00 0.04 0.00 0.00 61.00 62.98 3jwn s PRO 52 Cb -0.11 -3.21 0.47 0.00 0.04 0.00 0.00 34.50 31.69 3jwn s PRO 52 CO -0.02 0.08 1.63 -1.00 0.04 0.00 0.00 177.00 177.72 3jwn h PRO 53 N 4.44 0.00 -2.73 0.56 0.13 -1.86 -3.44 132.00 129.10 3jwn h PRO 53 Ca -0.46 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.51 3jwn h PRO 53 Cb 1.21 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.05 3jwn h PRO 53 CO 0.70 0.41 -0.44 -1.17 -0.23 0.00 0.00 178.00 177.27 3jwn s LEU 54 N -6.79 -0.31 0.24 1.56 2.96 -1.26 -1.90 118.68 113.17 3jwn s LEU 54 Ca 0.02 0.76 -0.11 0.00 -0.22 0.00 0.00 54.13 54.57 3jwn s LEU 54 Cb 0.10 1.01 -0.01 0.00 0.50 0.00 0.00 46.19 47.78 3jwn s LEU 54 CO 0.70 -0.22 0.42 0.72 -1.32 0.00 0.00 176.35 176.65 3jwn s PHE 55 N 2.23 0.48 -0.22 5.38 -0.12 -0.86 -5.00 117.98 119.87 3jwn s PHE 55 Ca -0.02 -0.82 -0.02 0.00 -0.05 0.00 0.00 56.93 56.02 3jwn s PHE 55 Cb -0.11 0.07 0.01 0.00 -0.63 0.00 0.00 43.02 42.36 3jwn s PHE 55 CO -0.10 -0.93 -0.09 0.00 -0.05 0.00 0.00 175.22 174.04 3jwn s ALA 56 N -4.04 2.64 -0.33 1.99 0.00 -1.26 -0.09 121.76 120.67 3jwn s ALA 56 Ca 0.25 -1.32 -0.23 0.00 0.00 0.00 0.00 51.96 50.66 3jwn s ALA 56 Cb 0.01 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.56 3jwn s ALA 56 CO 0.09 -0.58 0.76 -1.64 0.00 0.00 0.00 175.76 174.39 3jwn s MET 57 N 1.36 3.87 -0.44 0.00 -1.94 -0.31 -4.98 119.30 116.87 3jwn s MET 57 Ca 0.03 0.44 -0.14 0.00 -1.71 0.00 0.00 55.69 54.30 3jwn s MET 57 Cb -0.15 -3.76 0.05 0.00 2.01 0.00 0.00 34.83 32.98 3jwn s MET 57 CO -0.06 -0.73 0.33 0.21 -0.01 0.00 0.00 175.02 174.76 3jwn s LYS 58 N 2.96 2.92 2.44 2.03 2.20 -1.26 -1.68 119.74 129.35 3jwn s LYS 58 Ca 0.31 -1.23 0.00 0.00 -0.36 0.00 0.00 55.97 54.69 3jwn s LYS 58 Cb -0.14 -4.00 0.00 0.00 -1.51 0.00 0.00 37.83 32.18 3jwn s LYS 58 CO 0.14 -0.90 0.00 0.41 -0.36 0.00 0.00 175.35 174.64 3jwn n GLY 59 N 5.14 -0.77 3.60 5.54 0.00 -0.23 -4.72 105.19 113.74 3jwn n GLY 59 Ca -0.12 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 3jwn n GLY 59 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3jwn s LYS 60 N 0.00 3.33 0.10 1.61 2.20 -1.25 -4.72 119.74 121.01 3jwn s LYS 60 Ca 0.00 1.25 -0.17 0.00 -0.36 0.00 0.00 55.97 56.69 3jwn s LYS 60 Cb 0.00 -4.18 0.04 0.00 -1.51 0.00 0.00 37.83 32.18 3jwn s LYS 60 CO 0.00 -1.87 0.41 0.21 -0.36 0.00 0.00 175.35 173.74 3jwn s LYS 61 N 5.61 1.03 -0.02 4.03 2.47 -0.71 -5.01 119.74 127.14 3jwn s LYS 61 Ca 0.74 -0.61 0.02 0.00 -1.56 0.00 0.00 55.97 54.57 3jwn s LYS 61 Cb -0.20 0.45 0.01 0.00 -1.46 0.00 0.00 37.83 36.64 3jwn s LYS 61 CO 0.32 -0.39 -0.06 -2.00 0.16 0.00 0.00 175.35 173.39 3jwn s GLU 62 N -3.43 0.70 -0.00 4.03 -6.30 -1.26 -1.43 118.70 111.01 3jwn s GLU 62 Ca 0.01 -0.17 0.01 0.00 -2.50 0.00 0.00 54.97 52.31 3jwn s GLU 62 Cb 0.01 -0.69 -0.00 0.00 0.00 0.00 0.00 34.13 33.45 3jwn s GLU 62 CO -0.09 0.03 -0.02 1.21 0.02 0.00 0.00 175.26 176.41 3jwn s ASN 63 N 0.39 0.20 -0.27 -1.70 2.47 -0.53 -5.02 114.94 110.48 3jwn s ASN 63 Ca -0.05 -0.03 -0.11 0.00 0.42 0.00 0.00 52.86 53.09 3jwn s ASN 63 Cb -0.09 -0.03 -0.05 0.00 -1.45 0.00 0.00 41.25 39.64 3jwn s ASN 63 CO 0.00 0.02 0.19 -0.89 -3.72 0.00 0.00 177.10 172.70 3jwn s THR 64 N -0.01 5.32 0.49 -5.21 2.01 -1.26 -1.30 115.64 115.68 3jwn s THR 64 Ca 0.00 0.20 -0.14 0.00 0.31 0.00 0.00 61.69 62.05 3jwn s THR 64 Cb -0.01 -3.53 -0.07 0.00 0.01 0.00 0.00 72.50 68.90 3jwn s THR 64 CO -0.00 0.28 0.92 -0.76 -0.69 0.00 0.00 174.62 174.37 3jwn s LEU 65 N 1.54 3.67 -0.08 4.42 1.43 0.11 -4.72 118.68 125.04 3jwn s LEU 65 Ca 0.08 1.43 0.02 0.00 -1.03 0.00 0.00 54.13 54.62 3jwn s LEU 65 Cb -0.15 -4.36 0.02 0.00 0.03 0.00 0.00 46.19 41.73 3jwn s LEU 65 CO 0.09 -0.55 -0.11 -0.13 0.23 0.00 0.00 176.35 175.88 3jwn s ARG 66 N -4.06 1.66 -0.30 1.70 0.52 -0.01 -1.47 118.95 116.99 3jwn s ARG 66 Ca 0.56 -0.37 -0.09 0.00 -0.52 0.00 0.00 55.73 55.31 3jwn s ARG 66 Cb -0.10 -1.45 -0.02 0.00 0.52 0.00 0.00 34.95 33.90 3jwn s ARG 66 CO 0.32 -0.05 0.14 0.42 0.02 0.00 0.00 175.30 176.16 3jwn s ILE 67 N 0.93 4.65 -0.10 1.52 1.01 0.11 -0.85 121.20 128.46 3jwn s ILE 67 Ca -0.10 -0.30 -0.04 0.00 0.00 0.00 0.00 60.65 60.21 3jwn s ILE 67 Cb -0.15 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 3jwn s ILE 67 CO 0.01 0.13 0.05 -0.76 0.00 0.00 0.00 174.94 174.37 3jwn s LEU 68 N 1.63 3.83 -0.03 2.97 1.43 0.14 -1.56 118.68 127.10 3jwn s LEU 68 Ca 0.05 0.24 -0.30 0.00 -1.03 0.00 0.00 54.13 53.09 3jwn s LEU 68 Cb -0.17 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 3jwn s LEU 68 CO 0.06 0.38 1.00 -0.62 0.23 0.00 0.00 176.35 177.40 3jwn s ASP 69 N -0.85 7.31 -0.08 2.29 2.15 -1.26 -1.04 116.67 125.18 3jwn s ASP 69 Ca 0.13 1.65 0.13 0.00 0.43 0.00 0.00 52.55 54.88 3jwn s ASP 69 Cb -0.12 -2.57 0.23 0.00 -0.30 0.00 0.00 42.92 40.17 3jwn s ASP 69 CO 0.03 -0.33 1.11 0.00 -0.17 0.00 0.00 175.17 175.81 3jwn n ALA 70 N 4.25 2.40 0.12 3.66 0.00 0.11 -4.85 120.51 126.21 3jwn n ALA 70 Ca 0.07 -2.18 0.01 0.00 0.00 0.00 0.00 53.44 51.34 3jwn n ALA 70 Cb 0.50 -0.46 -0.00 0.00 0.00 0.00 0.00 19.45 19.49 3jwn n ALA 70 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3jwn h THR 71 N 3.24 1.00 -4.82 0.00 1.35 -1.86 -3.45 112.91 108.37 3jwn h THR 71 Ca -0.03 -2.42 -0.41 0.00 -0.55 0.00 0.00 66.41 63.01 3jwn h THR 71 Cb 1.24 2.49 0.05 0.00 -1.73 0.00 0.00 68.15 70.20 3jwn h THR 71 CO 0.01 0.57 -0.62 0.59 -0.25 0.00 0.00 175.52 175.83 3jwn n ASN 72 N -3.24 -5.86 -2.04 5.36 3.02 -1.26 -1.97 115.26 109.27 3jwn n ASN 72 Ca 0.01 -0.35 -0.19 0.00 -0.03 0.00 0.00 54.58 54.03 3jwn n ASN 72 Cb 0.77 -4.72 -0.02 0.00 -0.61 0.00 0.00 39.78 35.19 3jwn n ASN 72 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3jwn n ASN 73 N -2.57 -5.48 0.00 6.41 3.02 -1.26 -4.90 115.26 110.47 3jwn n ASN 73 Ca -0.08 0.09 0.08 0.00 -0.03 0.00 0.00 54.58 54.64 3jwn n ASN 73 Cb 0.60 -4.56 0.40 0.00 -0.61 0.00 0.00 39.78 35.61 3jwn n ASN 73 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jwn n GLN 74 N -2.76 0.09 -3.74 3.52 6.02 -0.83 -4.85 117.38 114.83 3jwn n GLN 74 Ca -0.22 0.17 -0.20 0.00 -0.01 0.00 0.00 57.00 56.74 3jwn n GLN 74 Cb 0.66 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.41 3jwn n GLN 74 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3jwn s LEU 75 N -2.84 4.15 0.49 1.08 1.43 -1.26 -5.07 118.68 116.64 3jwn s LEU 75 Ca 0.11 -0.06 -0.24 0.00 -1.03 0.00 0.00 54.13 52.92 3jwn s LEU 75 Cb 0.11 -2.80 -0.07 0.00 0.03 0.00 0.00 46.19 43.47 3jwn s LEU 75 CO 0.30 -0.24 1.39 -2.16 0.23 0.00 0.00 176.35 175.87 3jwn s PRO 76 N -4.07 3.48 0.00 1.29 0.04 -1.26 -4.95 135.00 129.53 3jwn s PRO 76 Ca 0.39 2.33 0.22 0.00 0.04 0.00 0.00 61.00 63.98 3jwn s PRO 76 Cb -0.09 -2.50 -0.05 0.00 0.04 0.00 0.00 34.50 31.90 3jwn s PRO 76 CO 0.30 -0.95 1.05 1.04 0.04 0.00 0.00 177.00 178.48 3jwn n GLN 77 N -0.52 0.98 -0.19 4.56 1.13 -1.26 -4.35 117.38 117.74 3jwn n GLN 77 Ca 0.07 -0.81 0.10 0.00 -1.94 0.00 0.00 57.00 54.43 3jwn n GLN 77 Cb 0.43 -1.48 0.20 0.00 0.11 0.00 0.00 30.24 29.50 3jwn n GLN 77 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3jwn n ASP 78 N -0.30 3.31 -3.58 1.08 5.75 -1.26 -4.76 116.55 116.79 3jwn n ASP 78 Ca 0.08 -1.94 -0.08 0.00 -0.01 0.00 0.00 54.79 52.84 3jwn n ASP 78 Cb 0.44 -0.25 -0.02 0.00 -1.03 0.00 0.00 41.12 40.27 3jwn n ASP 78 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3jwn s ARG 79 N -1.33 1.07 0.40 0.11 1.70 -1.26 -4.72 118.95 114.92 3jwn s ARG 79 Ca 0.35 -0.47 -0.25 0.00 -0.47 0.00 0.00 55.73 54.89 3jwn s ARG 79 Cb 0.20 0.44 -0.09 0.00 -0.57 0.00 0.00 34.95 34.94 3jwn s ARG 79 CO 0.28 -0.48 1.11 -1.21 -1.08 0.00 0.00 175.30 173.93 3jwn s GLU 80 N -3.34 4.09 -0.11 3.89 2.02 -0.31 -4.49 118.70 120.46 3jwn s GLU 80 Ca 0.07 1.69 0.01 0.00 0.02 0.00 0.00 54.97 56.75 3jwn s GLU 80 Cb -0.01 -2.62 -0.02 0.00 0.10 0.00 0.00 34.13 31.58 3jwn s GLU 80 CO -0.06 -0.25 -0.12 -1.12 0.02 0.00 0.00 175.26 173.74 3jwn s SER 81 N -1.33 4.14 -0.03 -0.19 0.01 -0.64 -4.86 113.70 110.81 3jwn s SER 81 Ca 0.57 -0.25 -0.24 0.00 1.31 0.00 0.00 55.95 57.34 3jwn s SER 81 Cb -0.27 -1.40 -0.04 0.00 0.21 0.00 0.00 66.02 64.52 3jwn s SER 81 CO 0.34 0.23 0.73 -0.22 0.41 0.00 0.00 173.24 174.72 3jwn s LEU 82 N -0.01 4.36 0.29 2.44 2.96 -1.26 -1.26 118.68 126.20 3jwn s LEU 82 Ca -0.03 1.28 0.03 0.00 -0.22 0.00 0.00 54.13 55.19 3jwn s LEU 82 Cb -0.14 -3.14 -0.04 0.00 0.50 0.00 0.00 46.19 43.37 3jwn s LEU 82 CO 0.04 -0.08 0.14 -0.36 -1.32 0.00 0.00 176.35 174.77 3jwn s PHE 83 N 0.52 1.58 -0.16 5.38 0.08 0.78 -3.43 117.98 122.73 3jwn s PHE 83 Ca 0.38 -1.31 -0.01 0.00 0.12 0.00 0.00 56.93 56.11 3jwn s PHE 83 Cb -0.19 -0.88 0.05 0.00 -0.57 0.00 0.00 43.02 41.43 3jwn s PHE 83 CO 0.20 -0.46 -0.01 -1.58 -0.10 0.00 0.00 175.22 173.27 3jwn s TRP 84 N -3.65 1.32 0.12 0.36 0.52 0.73 -0.47 118.94 117.88 3jwn s TRP 84 Ca 0.36 -0.88 -0.30 0.00 0.02 0.00 0.00 56.10 55.30 3jwn s TRP 84 Cb 0.06 -1.14 -0.06 0.00 -1.15 0.00 0.00 33.47 31.18 3jwn s TRP 84 CO 0.16 -0.57 0.96 1.41 0.02 0.00 0.00 176.95 178.93 3jwn s MET 85 N 1.76 4.71 -0.07 4.98 -2.45 -0.09 -0.63 119.30 127.50 3jwn s MET 85 Ca 0.01 1.45 0.01 0.00 -1.25 0.00 0.00 55.69 55.91 3jwn s MET 85 Cb -0.16 -3.37 0.02 0.00 1.25 0.00 0.00 34.83 32.57 3jwn s MET 85 CO -0.07 0.24 -0.10 -0.80 1.05 0.00 0.00 175.02 175.34 3jwn s ASN 86 N -0.11 1.74 -0.17 1.11 0.01 -0.09 -1.34 114.94 116.09 3jwn s ASN 86 Ca 0.46 -0.27 0.01 0.00 -0.71 0.00 0.00 52.86 52.35 3jwn s ASN 86 Cb -0.23 -0.77 0.02 0.00 0.41 0.00 0.00 41.25 40.68 3jwn s ASN 86 CO 0.30 -0.02 -0.17 -0.69 -1.51 0.00 0.00 177.10 175.01 3jwn s VAL 87 N 0.96 1.84 -0.23 1.60 1.01 0.32 -1.82 120.40 124.09 3jwn s VAL 87 Ca -0.09 -0.83 -0.07 0.00 0.00 0.00 0.00 61.98 60.99 3jwn s VAL 87 Cb -0.15 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 3jwn s VAL 87 CO 0.00 0.48 0.05 -0.75 0.00 0.00 0.00 175.10 174.89 3jwn s LYS 88 N 1.37 3.70 -0.40 2.72 2.20 0.27 -0.32 119.74 129.29 3jwn s LYS 88 Ca 0.05 -0.47 -0.11 0.00 -0.36 0.00 0.00 55.97 55.08 3jwn s LYS 88 Cb -0.13 -3.25 0.05 0.00 -1.51 0.00 0.00 37.83 32.99 3jwn s LYS 88 CO -0.12 -0.06 0.24 0.00 -0.36 0.00 0.00 175.35 175.05 3jwn s ALA 89 N 1.26 3.31 -0.30 3.13 0.00 0.19 -1.54 121.76 127.81 3jwn s ALA 89 Ca 0.04 -1.91 -0.09 0.00 0.00 0.00 0.00 51.96 50.01 3jwn s ALA 89 Cb -0.15 -2.67 -0.01 0.00 0.00 0.00 0.00 23.12 20.30 3jwn s ALA 89 CO 0.03 -1.52 0.14 0.42 0.00 0.00 0.00 175.76 174.83 3jwn s ILE 90 N 1.52 4.47 0.39 0.00 1.01 -0.15 -1.90 121.20 126.53 3jwn s ILE 90 Ca 0.02 -0.46 -0.25 0.00 0.00 0.00 0.00 60.65 59.96 3jwn s ILE 90 Cb -0.21 -3.28 -0.09 0.00 0.01 0.00 0.00 42.46 38.90 3jwn s ILE 90 CO 0.05 0.08 1.14 -2.16 0.00 0.00 0.00 174.94 174.06 3jwn s PRO 91 N 1.59 4.13 -0.54 2.79 0.04 -1.26 -0.26 135.00 141.49 3jwn s PRO 91 Ca 0.04 1.78 -0.14 0.00 0.04 0.00 0.00 61.00 62.72 3jwn s PRO 91 Cb -0.17 -2.71 0.13 0.00 0.04 0.00 0.00 34.50 31.80 3jwn s PRO 91 CO 0.05 -0.24 0.48 -1.54 0.04 0.00 0.00 177.00 175.80 3jwn s SER 92 N -1.18 6.10 0.00 6.66 1.04 -0.45 -4.86 113.70 121.01 3jwn s SER 92 Ca 0.56 -1.88 0.00 0.00 0.48 0.00 0.00 55.95 55.10 3jwn s SER 92 Cb -0.29 -2.16 0.00 0.00 0.10 0.00 0.00 66.02 63.67 3jwn s SER 92 CO 0.37 -0.80 0.00 -1.84 0.98 0.00 0.00 173.24 171.95 3jwn n GLU 100 N 5.08 0.00 -3.56 4.02 0.28 -1.26 -4.82 120.64 120.39 3jwn n GLU 100 Ca -0.11 0.05 -0.41 0.00 -0.16 0.00 0.00 57.16 56.54 3jwn n GLU 100 Cb 0.41 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.20 3jwn n GLU 100 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 3jwn s ASN 101 N -0.17 5.79 0.04 -1.84 -0.87 -1.26 -5.06 114.94 111.57 3jwn s ASN 101 Ca 0.00 -2.35 -0.03 0.00 -1.57 0.00 0.00 52.86 48.91 3jwn s ASN 101 Cb 0.00 -2.01 -0.02 0.00 -0.02 0.00 0.00 41.25 39.20 3jwn s ASN 101 CO 0.00 -0.58 0.03 0.42 -2.57 0.00 0.00 177.10 174.41 3jwn s THR 102 N 0.70 0.15 -0.25 1.60 -4.23 -1.26 -5.14 115.64 107.22 3jwn s THR 102 Ca 0.11 -1.22 -0.09 0.00 -1.18 0.00 0.00 61.69 59.31 3jwn s THR 102 Cb -0.21 -0.89 -0.04 0.00 1.34 0.00 0.00 72.50 72.70 3jwn s THR 102 CO -0.03 -0.68 0.12 -0.22 -0.54 0.00 0.00 174.62 173.27 3jwn s LEU 103 N -2.16 3.75 -0.17 4.79 2.96 -1.26 -5.09 118.68 121.50 3jwn s LEU 103 Ca -0.05 -0.08 -0.07 0.00 -0.22 0.00 0.00 54.13 53.72 3jwn s LEU 103 Cb -0.01 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 3jwn s LEU 103 CO -0.05 -0.01 0.06 -1.58 -1.32 0.00 0.00 176.35 173.46 3jwn s GLN 104 N 1.47 3.86 0.04 1.98 2.00 -1.26 -5.11 119.66 122.64 3jwn s GLN 104 Ca 0.06 -0.33 0.01 0.00 -2.00 0.00 0.00 55.36 53.10 3jwn s GLN 104 Cb -0.15 -3.18 -0.04 0.00 0.80 0.00 0.00 33.01 30.44 3jwn s GLN 104 CO 0.06 0.35 0.13 -0.51 -0.50 0.00 0.00 175.29 174.82 3jwn s LEU 105 N 0.15 4.04 -0.07 3.68 1.43 -1.26 -5.10 118.68 121.55 3jwn s LEU 105 Ca 0.05 0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.33 3jwn s LEU 105 Cb -0.12 -2.56 0.01 0.00 0.03 0.00 0.00 46.19 43.55 3jwn s LEU 105 CO 0.00 0.21 -0.16 0.00 0.23 0.00 0.00 176.35 176.64 3jwn s ALA 106 N -1.35 1.54 -0.10 4.21 0.00 -1.26 -4.44 121.76 120.36 3jwn s ALA 106 Ca 0.29 -0.60 -0.14 0.00 0.00 0.00 0.00 51.96 51.51 3jwn s ALA 106 Cb -0.12 -0.62 -0.05 0.00 0.00 0.00 0.00 23.12 22.33 3jwn s ALA 106 CO 0.21 0.19 0.33 0.42 0.00 0.00 0.00 175.76 176.90 3jwn s ILE 107 N 0.48 5.23 -0.33 0.00 -1.09 -0.80 -4.89 121.20 119.80 3jwn s ILE 107 Ca -0.14 0.65 -0.05 0.00 -2.23 0.00 0.00 60.65 58.88 3jwn s ILE 107 Cb -0.16 -3.65 0.05 0.00 -1.58 0.00 0.00 42.46 37.12 3jwn s ILE 107 CO 0.05 0.48 0.08 -0.63 -1.23 0.00 0.00 174.94 173.68 3jwn s ILE 108 N -0.25 3.51 -0.06 2.92 1.01 -1.26 0.56 121.20 127.63 3jwn s ILE 108 Ca 0.20 -1.25 -0.24 0.00 0.00 0.00 0.00 60.65 59.36 3jwn s ILE 108 Cb -0.14 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 3jwn s ILE 108 CO 0.08 -0.18 0.72 -0.44 0.00 0.00 0.00 174.94 175.11 3jwn s SER 109 N 1.39 7.02 -0.09 3.58 0.01 0.57 -4.91 113.70 121.27 3jwn s SER 109 Ca -0.02 1.22 -0.01 0.00 1.31 0.00 0.00 55.95 58.45 3jwn s SER 109 Cb -0.20 -2.42 0.03 0.00 0.21 0.00 0.00 66.02 63.64 3jwn s SER 109 CO 0.01 -0.11 -0.02 -0.60 0.41 0.00 0.00 173.24 172.93 3jwn s ARG 110 N 0.75 0.85 0.10 12.44 3.52 -1.26 -0.52 118.95 134.84 3jwn s ARG 110 Ca 0.38 -0.00 0.04 0.00 -0.13 0.00 0.00 55.73 56.02 3jwn s ARG 110 Cb -0.18 -1.16 -0.04 0.00 -1.56 0.00 0.00 34.95 32.01 3jwn s ARG 110 CO 0.19 -0.30 -0.11 0.96 -0.81 0.00 0.00 175.30 175.23 3jwn s ILE 111 N 1.90 1.01 0.23 4.11 -4.36 -0.45 -4.99 121.20 118.65 3jwn s ILE 111 Ca 0.05 -1.66 -0.30 0.00 -0.26 0.00 0.00 60.65 58.48 3jwn s ILE 111 Cb -0.12 -1.39 -0.10 0.00 1.25 0.00 0.00 42.46 42.09 3jwn s ILE 111 CO -0.06 -0.54 1.49 -0.54 0.24 0.00 0.00 174.94 175.53 3jwn s LYS 112 N -2.78 4.24 -0.27 0.37 1.02 -1.26 -0.91 119.74 120.16 3jwn s LYS 112 Ca 0.06 2.34 0.01 0.00 0.02 0.00 0.00 55.97 58.40 3jwn s LYS 112 Cb -0.03 -3.11 0.05 0.00 -0.52 0.00 0.00 37.83 34.22 3jwn s LYS 112 CO 0.01 -0.49 -0.08 -1.17 -0.92 0.00 0.00 175.35 172.69 3jwn s LEU 113 N 0.01 3.47 -0.26 3.17 2.96 0.38 -1.17 118.68 127.25 3jwn s LEU 113 Ca 0.62 -1.28 -0.13 0.00 -0.22 0.00 0.00 54.13 53.13 3jwn s LEU 113 Cb -0.43 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 3jwn s LEU 113 CO 0.41 -0.19 0.26 -0.31 -1.32 0.00 0.00 176.35 175.19 3jwn s TYR 114 N 1.17 3.27 -0.33 5.38 2.02 -0.34 -0.16 117.35 128.37 3jwn s TYR 114 Ca -0.06 0.29 -0.25 0.00 -0.37 0.00 0.00 57.07 56.68 3jwn s TYR 114 Cb -0.19 -2.42 0.01 0.00 -0.40 0.00 0.00 41.96 38.95 3jwn s TYR 114 CO -0.04 -0.10 0.85 -0.47 -1.57 0.00 0.00 175.55 174.22 3jwn s TYR 115 N 1.61 3.16 -0.31 2.71 5.04 -0.39 0.38 117.35 129.55 3jwn s TYR 115 Ca 0.11 0.81 -0.04 0.00 -2.44 0.00 0.00 57.07 55.51 3jwn s TYR 115 Cb -0.15 -3.39 0.04 0.00 0.35 0.00 0.00 41.96 38.80 3jwn s TYR 115 CO 0.09 -0.67 0.04 0.50 -1.34 0.00 0.00 175.55 174.17 3jwn s ARG 116 N 3.17 2.62 0.78 4.97 3.52 -0.11 -1.62 118.95 132.28 3jwn s ARG 116 Ca 0.35 -1.16 -0.11 0.00 -0.13 0.00 0.00 55.73 54.69 3jwn s ARG 116 Cb -0.13 -3.29 0.06 0.00 -1.56 0.00 0.00 34.95 30.03 3jwn s ARG 116 CO 0.15 -0.60 1.09 -1.25 -0.81 0.00 0.00 175.30 173.89 3jwn s PRO 117 N 1.35 2.19 0.76 5.12 0.04 -1.26 -0.95 135.00 142.25 3jwn s PRO 117 Ca -0.02 1.19 -0.12 0.00 0.04 0.00 0.00 61.00 62.09 3jwn s PRO 117 Cb -0.19 -1.89 0.05 0.00 0.04 0.00 0.00 34.50 32.51 3jwn s PRO 117 CO 0.01 -1.69 1.10 0.00 0.04 0.00 0.00 177.00 176.45 3jwn s ALA 118 N -2.88 2.51 -1.42 8.56 0.00 -1.26 -4.33 121.76 122.94 3jwn s ALA 118 Ca 0.62 -0.29 -0.06 0.00 0.00 0.00 0.00 51.96 52.23 3jwn s ALA 118 Cb -0.18 -3.07 0.01 0.00 0.00 0.00 0.00 23.12 19.88 3jwn s ALA 118 CO 0.56 -1.50 0.82 1.63 0.00 0.00 0.00 175.76 177.27 3jwn n LYS 119 N -3.27 -5.98 -2.64 0.00 4.76 -1.26 -4.98 118.16 104.79 3jwn n LYS 119 Ca 0.07 0.85 -0.40 0.00 -2.87 0.00 0.00 58.31 55.95 3jwn n LYS 119 Cb 0.57 -5.71 -0.05 0.00 -1.84 0.00 0.00 35.03 28.00 3jwn n LYS 119 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3jwn s LEU 120 N -6.71 4.57 0.04 -0.35 1.43 -1.26 -5.00 118.68 111.40 3jwn s LEU 120 Ca 0.41 2.02 -0.29 0.00 -1.03 0.00 0.00 54.13 55.23 3jwn s LEU 120 Cb -0.18 -3.61 -0.16 0.00 0.03 0.00 0.00 46.19 42.27 3jwn s LEU 120 CO 0.50 -0.02 1.38 0.00 0.23 0.00 0.00 176.35 178.44 3jwn h ALA 121 N 4.54 -1.23 -2.57 4.21 0.00 -1.97 -3.42 119.26 118.82 3jwn h ALA 121 Ca -0.45 -0.23 -0.52 0.00 0.00 0.00 0.00 54.91 53.71 3jwn h ALA 121 Cb 1.21 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 3jwn h ALA 121 CO 0.69 -1.15 0.45 -1.17 0.00 0.00 0.00 179.25 178.08 3jwn s LEU 122 N -8.80 4.45 0.68 0.00 2.96 -1.26 -5.04 118.68 111.67 3jwn s LEU 122 Ca -0.15 1.95 -0.16 0.00 -0.22 0.00 0.00 54.13 55.55 3jwn s LEU 122 Cb 0.02 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 43.13 3jwn s LEU 122 CO 0.46 -0.24 1.17 -2.84 -1.32 0.00 0.00 176.35 173.58 3jwn s PRO 123 N 0.19 2.49 0.19 0.98 0.02 -1.26 -4.96 135.00 132.65 3jwn s PRO 123 Ca 0.51 1.65 -0.12 0.00 0.02 0.00 0.00 61.00 63.06 3jwn s PRO 123 Cb -0.27 -1.89 0.20 0.00 0.02 0.00 0.00 34.50 32.57 3jwn s PRO 123 CO 0.32 -1.54 1.73 -1.35 -0.33 0.00 0.00 177.00 175.82 3jwn h PRO 124 N 0.01 0.28 0.00 5.54 0.11 -1.96 -2.76 132.00 133.23 3jwn h PRO 124 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3jwn h PRO 124 Cb 1.28 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3jwn h PRO 124 CO 0.52 0.19 0.00 0.38 -0.21 0.00 0.00 178.00 178.88 3jwn h ASP 125 N 0.29 0.00 -0.65 -2.05 2.03 -2.05 -2.47 116.42 111.52 3jwn h ASP 125 Ca 0.26 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.56 3jwn h ASP 125 Cb 0.32 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.82 3jwn h ASP 125 CO -0.30 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 177.91 3jwn n GLN 126 N -2.51 3.34 0.08 4.15 6.02 -1.04 -4.47 117.38 122.94 3jwn n GLN 126 Ca 0.01 -2.70 -0.22 0.00 -0.01 0.00 0.00 57.00 54.08 3jwn n GLN 126 Cb 0.20 -1.78 -0.15 0.00 1.02 0.00 0.00 30.24 29.53 3jwn n GLN 126 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3jwn h ALA 127 N 4.17 -0.09 -0.90 -1.58 0.00 -1.53 -3.36 119.26 115.97 3jwn h ALA 127 Ca 0.00 -0.79 0.13 0.00 0.00 0.00 0.00 54.91 54.24 3jwn h ALA 127 Cb 1.27 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 19.14 3jwn h ALA 127 CO 0.16 0.53 0.52 0.00 0.00 0.00 0.00 179.25 180.46 3jwn h ALA 128 N 0.09 1.34 -0.14 0.00 0.00 -1.79 -2.00 119.26 116.76 3jwn h ALA 128 Ca -0.20 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3jwn h ALA 128 Cb 1.84 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 3jwn h ALA 128 CO 0.19 0.06 -0.11 0.93 0.00 0.00 0.00 179.25 180.32 3jwn h GLU 129 N 0.80 0.22 0.00 0.00 4.39 -1.88 -3.02 114.58 115.10 3jwn h GLU 129 Ca 0.46 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.11 3jwn h GLU 129 Cb 0.53 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 3jwn h GLU 129 CO -0.30 0.35 0.00 1.63 -1.16 0.00 0.00 179.01 179.53 3jwn n LYS 130 N -4.30 0.24 -1.80 2.33 4.76 -0.75 -4.83 118.16 113.82 3jwn n LYS 130 Ca -0.01 0.03 -0.42 0.00 -2.87 0.00 0.00 58.31 55.04 3jwn n LYS 130 Cb 0.25 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.91 3jwn n LYS 130 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3jwn s LEU 131 N -2.73 4.38 0.24 -0.35 2.96 -1.14 -4.60 118.68 117.43 3jwn s LEU 131 Ca 0.21 2.73 0.11 0.00 -0.22 0.00 0.00 54.13 56.96 3jwn s LEU 131 Cb 0.18 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.24 3jwn s LEU 131 CO 0.45 -0.93 -0.16 -0.13 -1.32 0.00 0.00 176.35 174.25 3jwn s ARG 132 N 1.75 1.80 0.32 1.98 1.81 -0.39 -4.57 118.95 121.66 3jwn s ARG 132 Ca 0.75 -1.56 0.09 0.00 -1.72 0.00 0.00 55.73 53.29 3jwn s ARG 132 Cb -0.46 -1.92 -0.06 0.00 -0.45 0.00 0.00 34.95 32.06 3jwn s ARG 132 CO 0.33 0.37 -0.11 -0.06 -0.68 0.00 0.00 175.30 175.15 3jwn s PHE 133 N -2.12 2.29 -0.17 -0.53 0.08 -0.67 0.40 117.98 117.25 3jwn s PHE 133 Ca 0.27 -0.50 -0.04 0.00 0.12 0.00 0.00 56.93 56.78 3jwn s PHE 133 Cb -0.07 -1.24 0.09 0.00 -0.57 0.00 0.00 43.02 41.23 3jwn s PHE 133 CO 0.14 0.56 0.29 0.50 -0.10 0.00 0.00 175.22 176.61 3jwn s ARG 134 N -3.61 0.21 0.03 0.44 3.52 0.00 -2.63 118.95 116.91 3jwn s ARG 134 Ca 0.31 0.63 -0.09 0.00 -0.13 0.00 0.00 55.73 56.45 3jwn s ARG 134 Cb 0.01 -0.32 -0.05 0.00 -1.56 0.00 0.00 34.95 33.03 3jwn s ARG 134 CO 0.15 -0.42 0.33 0.50 -0.81 0.00 0.00 175.30 175.05 3jwn s ARG 135 N 2.44 3.69 -0.30 5.12 3.52 -1.26 -0.86 118.95 131.31 3jwn s ARG 135 Ca 0.04 0.09 -0.08 0.00 -0.13 0.00 0.00 55.73 55.66 3jwn s ARG 135 Cb -0.13 -3.07 0.17 0.00 -1.56 0.00 0.00 34.95 30.36 3jwn s ARG 135 CO -0.11 0.63 0.79 -1.54 -0.81 0.00 0.00 175.30 174.26 3jwn s SER 136 N -1.59 -0.97 1.15 -2.12 1.04 -0.90 -5.00 113.70 105.31 3jwn s SER 136 Ca 0.28 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.51 3jwn s SER 136 Cb -0.14 1.89 0.00 0.00 0.10 0.00 0.00 66.02 67.87 3jwn s SER 136 CO 0.16 -0.18 0.00 0.00 0.98 0.00 0.00 173.24 174.19 3jwn n ALA 137 N 5.38 0.00 -2.17 5.32 0.00 -1.26 -1.33 120.51 126.44 3jwn n ALA 137 Ca -0.05 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.18 3jwn n ALA 137 Cb 0.52 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.99 3jwn n ALA 137 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3jwn n ASN 138 N 8.54 4.42 -3.52 0.00 3.02 -1.26 -4.79 115.26 121.67 3jwn n ASN 138 Ca 0.00 -3.51 -0.15 0.00 -0.03 0.00 0.00 54.58 50.89 3jwn n ASN 138 Cb 0.00 -0.37 -0.05 0.00 -0.61 0.00 0.00 39.78 38.75 3jwn n ASN 138 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3jwn s SER 139 N -3.62 -0.55 -0.10 6.41 1.04 -0.44 -2.93 113.70 113.51 3jwn s SER 139 Ca 0.47 0.35 0.01 0.00 0.48 0.00 0.00 55.95 57.26 3jwn s SER 139 Cb 0.40 0.53 0.02 0.00 0.10 0.00 0.00 66.02 67.07 3jwn s SER 139 CO 0.01 -0.73 -0.10 -0.22 0.98 0.00 0.00 173.24 173.18 3jwn s LEU 140 N -1.83 1.40 -0.23 2.42 2.96 -0.66 -2.12 118.68 120.62 3jwn s LEU 140 Ca -0.06 -0.31 -0.08 0.00 -0.22 0.00 0.00 54.13 53.45 3jwn s LEU 140 Cb -0.01 -0.86 -0.04 0.00 0.50 0.00 0.00 46.19 45.79 3jwn s LEU 140 CO 0.00 -0.06 0.10 -0.89 -1.32 0.00 0.00 176.35 174.19 3jwn s THR 141 N 1.28 4.77 -0.09 3.68 2.01 -0.04 -1.37 115.64 125.89 3jwn s THR 141 Ca -0.03 -0.02 -0.16 0.00 0.31 0.00 0.00 61.69 61.79 3jwn s THR 141 Cb -0.14 -3.22 -0.05 0.00 0.01 0.00 0.00 72.50 69.11 3jwn s THR 141 CO -0.04 0.36 0.42 -0.76 -0.69 0.00 0.00 174.62 173.91 3jwn s LEU 142 N 1.20 4.33 -0.15 4.42 1.02 0.11 -0.82 118.68 128.80 3jwn s LEU 142 Ca 0.05 0.80 0.01 0.00 0.02 0.00 0.00 54.13 55.02 3jwn s LEU 142 Cb -0.14 -2.59 0.01 0.00 0.02 0.00 0.00 46.19 43.48 3jwn s LEU 142 CO 0.04 0.13 -0.19 -0.63 0.02 0.00 0.00 176.35 175.72 3jwn s ILE 143 N 0.05 2.30 -0.30 -0.59 1.01 0.16 -1.91 121.20 121.91 3jwn s ILE 143 Ca 0.23 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 60.00 3jwn s ILE 143 Cb -0.15 -1.95 0.07 0.00 0.01 0.00 0.00 42.46 40.44 3jwn s ILE 143 CO 0.10 0.53 -0.01 0.21 0.00 0.00 0.00 174.94 175.77 3jwn s ASN 144 N 0.88 4.73 0.09 3.58 2.47 -0.69 -1.26 114.94 124.75 3jwn s ASN 144 Ca -0.05 -1.58 0.26 0.00 0.42 0.00 0.00 52.86 51.91 3jwn s ASN 144 Cb -0.15 -1.64 0.72 0.00 -1.45 0.00 0.00 41.25 38.73 3jwn s ASN 144 CO -0.02 -0.29 1.61 -0.81 -3.72 0.00 0.00 177.10 173.87 3jwn n PRO 145 N 4.47 0.15 -1.52 0.43 -0.04 -1.26 -1.70 135.00 135.52 3jwn n PRO 145 Ca -0.09 0.08 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 3jwn n PRO 145 Cb 0.42 -1.63 0.07 0.00 -0.04 0.00 0.00 33.50 32.32 3jwn n PRO 145 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3jwn s THR 146 N -3.07 3.71 -2.06 0.52 -4.23 -1.26 -4.38 115.64 104.86 3jwn s THR 146 Ca 0.10 0.55 0.20 0.00 -1.18 0.00 0.00 61.69 61.36 3jwn s THR 146 Cb 0.15 -3.26 0.53 0.00 1.34 0.00 0.00 72.50 71.26 3jwn s THR 146 CO 0.64 -0.72 1.71 -0.81 -0.54 0.00 0.00 174.62 174.89 3jwn n PRO 147 N -3.26 1.14 -4.19 3.99 -0.04 -1.26 -1.92 135.00 129.46 3jwn n PRO 147 Ca 0.08 -0.21 -0.34 0.00 -0.04 0.00 0.00 63.50 62.99 3jwn n PRO 147 Cb 0.54 -1.32 -0.08 0.00 -0.04 0.00 0.00 33.50 32.60 3jwn n PRO 147 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3jwn s TYR 148 N -1.96 3.24 -0.24 0.54 2.02 -1.26 -1.16 117.35 118.53 3jwn s TYR 148 Ca 0.30 0.20 -0.29 0.00 -0.37 0.00 0.00 57.07 56.91 3jwn s TYR 148 Cb 0.14 -1.75 -0.03 0.00 -0.40 0.00 0.00 41.96 39.92 3jwn s TYR 148 CO 0.23 0.53 1.69 0.71 -1.57 0.00 0.00 175.55 177.14 3jwn s TYR 149 N -1.08 1.97 -0.21 2.71 2.02 -1.26 -4.22 117.35 117.28 3jwn s TYR 149 Ca 0.19 0.52 -0.19 0.00 -0.37 0.00 0.00 57.07 57.23 3jwn s TYR 149 Cb -0.12 -4.04 -0.03 0.00 -0.40 0.00 0.00 41.96 37.38 3jwn s TYR 149 CO 0.09 -3.07 0.55 -0.51 -1.57 0.00 0.00 175.55 171.05 3jwn s LEU 150 N 5.70 4.13 -0.88 -1.29 1.43 -0.90 -4.98 118.68 121.88 3jwn s LEU 150 Ca 0.75 0.70 -0.14 0.00 -1.03 0.00 0.00 54.13 54.41 3jwn s LEU 150 Cb -0.25 -2.76 0.21 0.00 0.03 0.00 0.00 46.19 43.43 3jwn s LEU 150 CO 0.31 -0.23 0.87 -0.89 0.23 0.00 0.00 176.35 176.64 3jwn s THR 151 N 1.85 5.54 0.10 5.49 2.01 -1.26 -1.57 115.64 127.80 3jwn s THR 151 Ca 0.25 -2.48 -0.30 0.00 0.31 0.00 0.00 61.69 59.47 3jwn s THR 151 Cb -0.16 -4.54 -0.06 0.00 0.01 0.00 0.00 72.50 67.76 3jwn s THR 151 CO 0.10 -1.12 0.98 -0.69 -0.69 0.00 0.00 174.62 173.19 3jwn s VAL 152 N 0.35 4.47 0.12 3.82 1.01 0.54 -2.18 120.40 128.53 3jwn s VAL 152 Ca 0.22 2.02 -0.06 0.00 0.00 0.00 0.00 61.98 64.15 3jwn s VAL 152 Cb -0.09 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 31.98 3jwn s VAL 152 CO -0.09 0.29 0.17 0.28 0.00 0.00 0.00 175.10 175.75 3jwn s THR 153 N 0.10 0.12 -1.46 3.92 -1.32 -0.06 -1.76 115.64 115.18 3jwn s THR 153 Ca 0.48 -1.47 -0.06 0.00 -1.21 0.00 0.00 61.69 59.43 3jwn s THR 153 Cb -0.24 -1.67 0.05 0.00 -1.51 0.00 0.00 72.50 69.13 3jwn s THR 153 CO 0.30 -0.54 0.66 -0.62 -2.21 0.00 0.00 174.62 172.21 3jwn n GLU 154 N -0.10 -4.09 -2.70 7.08 1.02 -1.26 -0.78 120.64 119.80 3jwn n GLU 154 Ca -0.10 0.49 -0.43 0.00 -0.02 0.00 0.00 57.16 57.09 3jwn n GLU 154 Cb 0.63 -4.97 -0.03 0.00 -0.02 0.00 0.00 31.44 27.05 3jwn n GLU 154 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3jwn s LEU 155 N -7.02 3.97 -0.07 -4.62 2.96 -1.26 -4.08 118.68 108.56 3jwn s LEU 155 Ca 0.27 0.98 0.04 0.00 -0.22 0.00 0.00 54.13 55.20 3jwn s LEU 155 Cb -0.14 -3.45 -0.00 0.00 0.50 0.00 0.00 46.19 43.09 3jwn s LEU 155 CO 0.87 -0.83 -0.20 0.20 -1.32 0.00 0.00 176.35 175.06 3jwn s ASN 156 N 1.64 2.60 -0.44 3.68 0.01 -0.25 -1.04 114.94 121.15 3jwn s ASN 156 Ca 0.43 -0.45 -0.07 0.00 -0.71 0.00 0.00 52.86 52.06 3jwn s ASN 156 Cb -0.13 -0.96 0.11 0.00 0.41 0.00 0.00 41.25 40.68 3jwn s ASN 156 CO 0.15 0.16 0.28 0.00 -1.51 0.00 0.00 177.10 176.17 3jwn s ALA 157 N 0.20 3.28 0.00 0.60 0.00 -0.57 -1.21 121.76 124.07 3jwn s ALA 157 Ca -0.11 -2.45 0.00 0.00 0.00 0.00 0.00 51.96 49.40 3jwn s ALA 157 Cb -0.15 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.33 3jwn s ALA 157 CO 0.05 -1.81 0.00 0.41 0.00 0.00 0.00 175.76 174.41 3jwn n GLY 158 N 4.80 2.91 0.28 0.00 0.00 -0.11 -2.43 105.19 110.64 3jwn n GLY 158 Ca -0.07 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 45.81 3jwn n GLY 158 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3jwn n THR 159 N 0.00 0.00 -2.67 2.61 -2.24 -1.26 -4.91 114.28 105.81 3jwn n THR 159 Ca 0.00 -0.15 -0.43 0.00 -2.27 0.00 0.00 64.05 61.21 3jwn n THR 159 Cb 0.00 0.97 -0.02 0.00 -2.10 0.00 0.00 70.33 69.18 3jwn n THR 159 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3jwn s ARG 160 N -2.67 4.17 -0.42 -0.78 1.81 -1.02 -5.00 118.95 115.05 3jwn s ARG 160 Ca 0.16 1.22 -0.28 0.00 -1.72 0.00 0.00 55.73 55.11 3jwn s ARG 160 Cb 0.18 -3.68 0.02 0.00 -0.45 0.00 0.00 34.95 31.02 3jwn s ARG 160 CO 0.66 -0.73 1.05 0.08 -0.68 0.00 0.00 175.30 175.67 3jwn s VAL 161 N 3.36 4.39 0.46 3.52 1.01 -1.26 -1.51 120.40 130.36 3jwn s VAL 161 Ca 0.44 1.26 -0.04 0.00 0.00 0.00 0.00 61.98 63.64 3jwn s VAL 161 Cb -0.14 -4.48 0.10 0.00 0.00 0.00 0.00 36.38 31.86 3jwn s VAL 161 CO 0.10 -0.77 0.63 0.18 0.00 0.00 0.00 175.10 175.23 3jwn n LEU 162 N 7.30 0.00 -4.80 3.92 4.77 -0.21 -5.03 117.00 122.96 3jwn n LEU 162 Ca 0.10 -1.00 -0.31 0.00 -0.03 0.00 0.00 56.01 54.76 3jwn n LEU 162 Cb 0.48 -0.44 0.05 0.00 -2.33 0.00 0.00 43.42 41.18 3jwn n LEU 162 CO 0.65 -0.88 0.71 -1.61 -1.33 0.00 0.00 177.39 174.94 3jwn s GLU 163 N -4.18 2.87 0.73 3.23 2.02 -1.26 -4.71 118.70 117.39 3jwn s GLU 163 Ca 0.38 1.08 -0.11 0.00 0.02 0.00 0.00 54.97 56.34 3jwn s GLU 163 Cb -0.02 -1.98 0.03 0.00 0.10 0.00 0.00 34.13 32.26 3jwn s GLU 163 CO 0.26 -1.16 1.09 -0.80 0.02 0.00 0.00 175.26 174.67 3jwn s ASN 164 N -3.43 5.16 -0.07 -0.19 0.01 -1.26 -4.70 114.94 110.46 3jwn s ASN 164 Ca 0.60 1.29 -0.09 0.00 -0.71 0.00 0.00 52.86 53.96 3jwn s ASN 164 Cb -0.15 -2.10 0.02 0.00 0.41 0.00 0.00 41.25 39.42 3jwn s ASN 164 CO 0.51 -1.54 0.23 0.00 -1.51 0.00 0.00 177.10 174.79 3jwn s ALA 165 N -3.22 -0.57 -0.54 0.60 0.00 -0.72 -5.04 121.76 112.26 3jwn s ALA 165 Ca 0.59 0.52 -0.06 0.00 0.00 0.00 0.00 51.96 53.01 3jwn s ALA 165 Cb -0.13 -0.27 0.14 0.00 0.00 0.00 0.00 23.12 22.87 3jwn s ALA 165 CO 0.53 -0.14 0.37 -1.17 0.00 0.00 0.00 175.76 175.35 3jwn s LEU 166 N -0.26 5.50 -0.20 0.00 2.96 -1.26 -0.34 118.68 125.08 3jwn s LEU 166 Ca -0.04 -2.34 -0.23 0.00 -0.22 0.00 0.00 54.13 51.30 3jwn s LEU 166 Cb -0.03 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 3jwn s LEU 166 CO 0.01 -0.53 0.73 -0.69 -1.32 0.00 0.00 176.35 174.55 3jwn s VAL 167 N 0.70 4.94 0.72 1.68 1.01 -0.61 -4.87 120.40 123.96 3jwn s VAL 167 Ca 0.11 1.39 -0.11 0.00 0.00 0.00 0.00 61.98 63.37 3jwn s VAL 167 Cb -0.22 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.15 3jwn s VAL 167 CO -0.03 0.04 1.10 -2.16 0.00 0.00 0.00 175.10 174.05 3jwn s PRO 168 N 2.22 2.76 0.19 2.72 0.04 -1.26 -2.12 135.00 139.54 3jwn s PRO 168 Ca 0.33 0.47 -0.32 0.00 0.04 0.00 0.00 61.00 61.52 3jwn s PRO 168 Cb -0.16 -2.01 -0.11 0.00 0.04 0.00 0.00 34.50 32.26 3jwn s PRO 168 CO 0.10 -1.11 1.71 -2.14 0.04 0.00 0.00 177.00 175.60 3jwn s PRO 169 N -5.35 4.14 -1.33 0.56 0.02 -1.26 -2.49 135.00 129.30 3jwn s PRO 169 Ca 0.59 2.56 -0.05 0.00 0.02 0.00 0.00 61.00 64.12 3jwn s PRO 169 Cb -0.11 -3.16 -0.00 0.00 0.02 0.00 0.00 34.50 31.24 3jwn s PRO 169 CO 0.52 -0.74 0.56 -1.33 -0.33 0.00 0.00 177.00 175.68 3jwn n MET 170 N 4.22 -3.19 -0.62 5.54 2.81 -0.69 -4.92 117.12 120.27 3jwn n MET 170 Ca 0.16 0.46 0.00 0.00 -1.81 0.00 0.00 57.70 56.51 3jwn n MET 170 Cb 0.36 -4.58 0.00 0.00 -0.71 0.00 0.00 33.22 28.30 3jwn n MET 170 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3jwn n GLY 171 N -1.83 2.71 3.11 3.03 0.00 -0.86 -5.00 105.19 106.35 3jwn n GLY 171 Ca -0.26 -0.98 -0.08 0.00 0.00 0.00 0.00 46.02 44.70 3jwn n GLY 171 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3jwn s GLU 172 N -0.66 0.64 0.01 1.61 2.02 -1.26 -1.70 118.70 119.36 3jwn s GLU 172 Ca 0.00 -1.10 -0.03 0.00 0.02 0.00 0.00 54.97 53.86 3jwn s GLU 172 Cb 0.00 0.23 -0.01 0.00 0.10 0.00 0.00 34.13 34.45 3jwn s GLU 172 CO 0.00 -0.14 0.04 -1.12 0.02 0.00 0.00 175.26 174.06 3jwn s SER 173 N -2.77 0.13 0.04 -0.19 0.01 -0.80 -4.59 113.70 105.51 3jwn s SER 173 Ca 0.05 -0.32 0.07 0.00 1.31 0.00 0.00 55.95 57.06 3jwn s SER 173 Cb 0.06 0.14 -0.02 0.00 0.21 0.00 0.00 66.02 66.40 3jwn s SER 173 CO -0.09 -0.29 -0.21 -0.89 0.41 0.00 0.00 173.24 172.17 3jwn s THR 174 N -1.24 1.68 0.13 1.44 2.01 -1.26 0.09 115.64 118.49 3jwn s THR 174 Ca -0.13 -1.17 0.02 0.00 0.31 0.00 0.00 61.69 60.72 3jwn s THR 174 Cb -0.08 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 3jwn s THR 174 CO 0.00 0.24 -0.04 0.68 -0.69 0.00 0.00 174.62 174.81 3jwn s VAL 175 N -0.76 0.68 0.74 3.82 -7.23 -0.47 -4.99 120.40 112.19 3jwn s VAL 175 Ca 0.08 -1.95 -0.16 0.00 -1.81 0.00 0.00 61.98 58.13 3jwn s VAL 175 Cb -0.09 -1.86 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 3jwn s VAL 175 CO 0.01 -0.71 0.53 0.29 -0.31 0.00 0.00 175.10 174.91 3jwn n LYS 176 N -0.12 0.25 -3.25 4.82 4.76 -1.26 -1.65 118.16 121.70 3jwn n LYS 176 Ca -0.10 0.13 -0.04 0.00 -2.87 0.00 0.00 58.31 55.43 3jwn n LYS 176 Cb 0.62 -1.84 -0.04 0.00 -1.84 0.00 0.00 35.03 31.93 3jwn n LYS 176 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3jwn s LEU 177 N -0.34 -1.05 0.56 -0.35 2.96 -1.15 -4.47 118.68 114.85 3jwn s LEU 177 Ca 0.65 0.17 -0.20 0.00 -0.22 0.00 0.00 54.13 54.53 3jwn s LEU 177 Cb -0.34 1.53 -0.04 0.00 0.50 0.00 0.00 46.19 47.84 3jwn s LEU 177 CO 0.59 -0.31 1.26 -2.84 -1.32 0.00 0.00 176.35 173.73 3jwn s PRO 178 N 2.67 3.11 0.31 0.98 0.02 -1.26 -4.14 135.00 136.69 3jwn s PRO 178 Ca 0.13 1.99 0.10 0.00 0.02 0.00 0.00 61.00 63.24 3jwn s PRO 178 Cb -0.13 -2.11 0.50 0.00 0.02 0.00 0.00 34.50 32.78 3jwn s PRO 178 CO -0.23 -1.14 1.71 0.77 -0.33 0.00 0.00 177.00 177.77 3jwn h SER 179 N 1.24 0.07 0.33 2.53 0.02 -1.96 -3.03 113.55 112.75 3jwn h SER 179 Ca -0.50 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.38 3jwn h SER 179 Cb 1.30 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 3jwn h SER 179 CO 0.56 0.55 -0.17 -2.24 -1.14 0.00 0.00 176.83 174.39 3jwn h ASP 180 N 0.06 0.00 -3.78 3.07 3.04 -1.99 -3.45 116.42 113.37 3jwn h ASP 180 Ca 0.00 0.00 -0.56 0.00 -3.24 0.00 0.00 57.03 53.23 3jwn h ASP 180 Cb 0.87 0.00 0.14 0.00 -1.04 0.00 0.00 39.33 39.30 3jwn h ASP 180 CO 0.07 0.17 0.51 0.00 -2.04 0.00 0.00 179.24 177.94 3jwn n ALA 181 N -2.36 1.35 -1.66 4.15 0.00 -1.15 -5.00 120.51 115.84 3jwn n ALA 181 Ca -0.02 0.18 -0.29 0.00 0.00 0.00 0.00 53.44 53.31 3jwn n ALA 181 Cb 0.26 -2.30 0.14 0.00 0.00 0.00 0.00 19.45 17.56 3jwn n ALA 181 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3jwn s GLY 182 N -0.76 1.61 0.29 0.00 0.00 -1.16 -4.88 107.32 102.42 3jwn s GLY 182 Ca 0.67 -0.68 0.17 0.00 0.00 0.00 0.00 44.72 44.87 3jwn s GLY 182 CO 0.53 -0.09 1.42 1.48 0.00 0.00 0.00 173.10 176.44 3jwn h SER 183 N -1.47 0.00 -3.26 1.64 4.64 -1.94 -3.25 113.55 109.90 3jwn h SER 183 Ca -0.48 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.31 3jwn h SER 183 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3jwn h SER 183 CO 0.58 0.39 0.53 0.54 -0.87 0.00 0.00 176.83 177.99 3jwn s ASN 184 N -6.33 7.14 -0.16 4.97 2.20 -1.26 -4.89 114.94 116.62 3jwn s ASN 184 Ca 0.04 1.97 -0.00 0.00 -0.94 0.00 0.00 52.86 53.93 3jwn s ASN 184 Cb 0.07 -2.58 -0.00 0.00 -2.00 0.00 0.00 41.25 36.74 3jwn s ASN 184 CO 0.74 -0.42 -0.14 -0.63 -2.94 0.00 0.00 177.10 173.71 3jwn s ILE 185 N 0.93 2.80 0.21 0.54 1.01 -1.26 -0.93 121.20 124.50 3jwn s ILE 185 Ca 0.57 -0.73 0.10 0.00 0.00 0.00 0.00 60.65 60.60 3jwn s ILE 185 Cb -0.28 -2.19 -0.05 0.00 0.01 0.00 0.00 42.46 39.95 3jwn s ILE 185 CO 0.30 0.51 -0.21 0.42 0.00 0.00 0.00 174.94 175.96 3jwn s THR 186 N 0.79 2.19 0.13 2.92 -4.23 -0.35 0.12 115.64 117.21 3jwn s THR 186 Ca -0.05 -2.11 -0.25 0.00 -1.18 0.00 0.00 61.69 58.11 3jwn s THR 186 Cb -0.15 -2.08 0.07 0.00 1.34 0.00 0.00 72.50 71.68 3jwn s THR 186 CO 0.00 -0.28 0.75 -0.72 -0.54 0.00 0.00 174.62 173.83 3jwn s TYR 187 N -2.09 -0.37 0.33 3.99 -0.85 -1.01 -1.08 117.35 116.26 3jwn s TYR 187 Ca 0.22 0.13 0.03 0.00 -0.52 0.00 0.00 57.07 56.93 3jwn s TYR 187 Cb -0.06 0.59 -0.04 0.00 0.38 0.00 0.00 41.96 42.83 3jwn s TYR 187 CO 0.10 -0.83 0.11 1.03 -1.52 0.00 0.00 175.55 174.45 3jwn s ARG 188 N -3.54 1.67 0.06 -3.49 0.52 0.04 -1.55 118.95 112.65 3jwn s ARG 188 Ca 0.05 -1.96 -0.00 0.00 -0.52 0.00 0.00 55.73 53.30 3jwn s ARG 188 Cb -0.02 -0.46 -0.04 0.00 0.52 0.00 0.00 34.95 34.95 3jwn s ARG 188 CO -0.07 -0.37 -0.04 0.95 0.02 0.00 0.00 175.30 175.80 3jwn s THR 189 N -3.45 0.33 -0.22 0.02 -4.23 -1.26 -0.88 115.64 105.95 3jwn s THR 189 Ca 0.33 -1.81 -0.16 0.00 -1.18 0.00 0.00 61.69 58.87 3jwn s THR 189 Cb 0.06 -1.51 -0.04 0.00 1.34 0.00 0.00 72.50 72.34 3jwn s THR 189 CO 0.15 -0.95 0.40 -0.63 -0.54 0.00 0.00 174.62 173.06 3jwn s ILE 190 N -3.76 5.19 0.33 2.99 -1.09 -0.93 -0.09 121.20 123.84 3jwn s ILE 190 Ca 0.07 0.70 -0.03 0.00 -2.23 0.00 0.00 60.65 59.16 3jwn s ILE 190 Cb 0.07 -3.73 0.07 0.00 -1.58 0.00 0.00 42.46 37.29 3jwn s ILE 190 CO -0.08 0.22 0.45 -0.46 -1.23 0.00 0.00 174.94 173.84 3jwn n ASN 191 N 4.69 0.32 0.29 3.58 0.23 -0.16 -4.58 115.26 119.62 3jwn n ASN 191 Ca -0.08 -1.34 0.14 0.00 -0.53 0.00 0.00 54.58 52.78 3jwn n ASN 191 Cb 0.51 -0.32 0.87 0.00 -2.08 0.00 0.00 39.78 38.76 3jwn n ASN 191 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3jwn h ASP 192 N -0.43 0.00 -0.60 0.53 5.19 -1.98 -1.93 116.42 117.19 3jwn h ASP 192 Ca -0.15 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.26 3jwn h ASP 192 Cb 0.48 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.99 3jwn h ASP 192 CO 0.13 0.02 0.00 -1.22 -3.12 0.00 0.00 179.24 175.05 3jwn n TYR 193 N -3.86 0.97 -0.36 4.55 4.01 -1.26 -4.82 117.16 116.38 3jwn n TYR 193 Ca -0.03 -0.54 0.00 0.00 -0.16 0.00 0.00 57.90 57.17 3jwn n TYR 193 Cb 0.11 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 3jwn n TYR 193 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3jwn n GLY 194 N 1.15 1.18 3.90 2.72 0.00 -0.72 -4.93 105.19 108.48 3jwn n GLY 194 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 3jwn n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jwn s ALA 195 N -2.95 3.60 0.12 4.61 0.00 -1.26 -4.72 121.76 121.16 3jwn s ALA 195 Ca 0.00 -0.47 -0.30 0.00 0.00 0.00 0.00 51.96 51.18 3jwn s ALA 195 Cb 0.00 -2.35 -0.06 0.00 0.00 0.00 0.00 23.12 20.71 3jwn s ALA 195 CO 0.00 0.30 1.04 -0.51 0.00 0.00 0.00 175.76 176.59 3jwn s LEU 196 N -3.38 4.47 0.79 0.00 1.43 -1.26 -0.99 118.68 119.74 3jwn s LEU 196 Ca 0.45 1.93 -0.12 0.00 -1.03 0.00 0.00 54.13 55.36 3jwn s LEU 196 Cb -0.11 -3.59 0.06 0.00 0.03 0.00 0.00 46.19 42.58 3jwn s LEU 196 CO 0.28 -0.19 1.11 0.42 0.23 0.00 0.00 176.35 178.20 3jwn s THR 197 N 0.09 3.00 0.93 5.49 -4.23 0.87 -4.93 115.64 116.86 3jwn s THR 197 Ca 0.50 0.32 -0.10 0.00 -1.18 0.00 0.00 61.69 61.23 3jwn s THR 197 Cb -0.26 -3.14 0.15 0.00 1.34 0.00 0.00 72.50 70.59 3jwn s THR 197 CO 0.32 -0.42 1.12 -2.84 -0.54 0.00 0.00 174.62 172.26 3jwn s PRO 198 N -5.24 0.91 0.32 3.99 0.02 -1.26 -4.39 135.00 129.36 3jwn s PRO 198 Ca 0.61 1.40 -0.29 0.00 0.02 0.00 0.00 61.00 62.74 3jwn s PRO 198 Cb -0.13 -1.73 -0.11 0.00 0.02 0.00 0.00 34.50 32.55 3jwn s PRO 198 CO 0.53 -2.66 1.43 0.21 -0.33 0.00 0.00 177.00 176.19 3jwn s LYS 199 N -4.66 4.23 0.09 5.54 2.20 -1.26 -4.64 119.74 121.24 3jwn s LYS 199 Ca 0.66 2.39 0.03 0.00 -0.36 0.00 0.00 55.97 58.70 3jwn s LYS 199 Cb -0.22 -3.04 -0.04 0.00 -1.51 0.00 0.00 37.83 33.02 3jwn s LYS 199 CO 0.59 -0.41 -0.10 -1.64 -0.36 0.00 0.00 175.35 173.43 3jwn s MET 200 N -1.41 0.83 -0.09 4.03 -1.94 -0.60 -4.99 119.30 115.15 3jwn s MET 200 Ca 0.54 -1.16 -0.18 0.00 -1.71 0.00 0.00 55.69 53.18 3jwn s MET 200 Cb -0.43 -0.49 -0.05 0.00 2.01 0.00 0.00 34.83 35.87 3jwn s MET 200 CO 0.53 0.07 0.49 0.99 -0.01 0.00 0.00 175.02 177.10 3jwn s THR 201 N -2.51 5.12 -0.32 2.05 2.01 -1.26 -2.41 115.64 118.32 3jwn s THR 201 Ca 0.05 1.00 -0.29 0.00 0.31 0.00 0.00 61.69 62.76 3jwn s THR 201 Cb -0.02 -3.83 0.00 0.00 0.01 0.00 0.00 72.50 68.66 3jwn s THR 201 CO -0.00 0.37 1.28 -0.83 -0.69 0.00 0.00 174.62 174.74 3jwn s GLY 202 N 0.31 1.38 -0.16 4.40 0.00 0.32 -4.98 107.32 108.59 3jwn s GLY 202 Ca 0.27 0.05 -0.16 0.00 0.00 0.00 0.00 44.72 44.88 3jwn s GLY 202 CO 0.12 2.56 0.39 0.14 0.00 0.00 0.00 173.10 176.30 3jwn s VAL 203 N 4.36 5.24 0.33 1.40 1.01 -1.26 -4.60 120.40 126.88 3jwn s VAL 203 Ca 0.55 0.73 -0.08 0.00 0.00 0.00 0.00 61.98 63.19 3jwn s VAL 203 Cb -0.16 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.44 3jwn s VAL 203 CO 0.23 0.33 0.64 -0.04 0.00 0.00 0.00 175.10 176.26 3jwn s MET 204 N 0.76 3.71 0.00 2.72 -1.94 -1.26 -1.68 119.30 121.61 3jwn s MET 204 Ca 0.20 0.22 0.00 0.00 -1.71 0.00 0.00 55.69 54.40 3jwn s MET 204 Cb -0.14 -2.54 0.00 0.00 2.01 0.00 0.00 34.83 34.15 3jwn s MET 204 CO 0.07 0.13 0.00 -1.91 -0.01 0.00 0.00 175.02 173.30