#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jps s VAL 2 N 0.00 3.86 -0.12 6.31 1.01 -1.26 -4.14 120.40 126.06 1jps s VAL 2 Ca 0.00 1.77 -0.16 0.00 0.00 0.00 0.00 61.98 63.59 1jps s VAL 2 Cb 0.00 -4.09 0.04 0.00 0.00 0.00 0.00 36.38 32.33 1jps s VAL 2 CO 0.00 0.35 0.42 -1.58 0.00 0.00 0.00 175.10 174.29 1jps s GLN 3 N -1.54 0.57 -0.13 2.72 0.74 -0.56 -5.00 119.66 116.47 1jps s GLN 3 Ca 0.45 0.41 0.01 0.00 0.05 0.00 0.00 55.36 56.28 1jps s GLN 3 Cb -0.26 0.27 0.02 0.00 1.10 0.00 0.00 33.01 34.14 1jps s GLN 3 CO 0.33 -0.10 -0.13 -0.51 -0.55 0.00 0.00 175.29 174.33 1jps s LEU 4 N -0.20 1.56 -0.15 3.68 1.43 -1.26 -1.52 118.68 122.23 1jps s LEU 4 Ca -0.04 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.65 1jps s LEU 4 Cb -0.03 -1.06 0.02 0.00 0.03 0.00 0.00 46.19 45.15 1jps s LEU 4 CO 0.02 -0.05 -0.15 -0.69 0.23 0.00 0.00 176.35 175.70 1jps s VAL 5 N 1.39 1.64 0.24 -1.59 1.01 -0.15 -4.06 120.40 118.88 1jps s VAL 5 Ca 0.01 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 1jps s VAL 5 Cb -0.13 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1jps s VAL 5 CO -0.07 0.47 0.43 -1.61 0.00 0.00 0.00 175.10 174.32 1jps s GLU 6 N 1.36 3.52 0.24 2.72 2.02 -1.26 -0.20 118.70 127.11 1jps s GLU 6 Ca 0.03 -0.33 -0.15 0.00 0.02 0.00 0.00 54.97 54.54 1jps s GLU 6 Cb -0.13 -2.79 0.01 0.00 0.10 0.00 0.00 34.13 31.31 1jps s GLU 6 CO -0.09 0.34 0.53 -1.54 0.02 0.00 0.00 175.26 174.51 1jps s SER 7 N -3.36 -0.15 0.00 -0.19 1.04 -0.66 -4.95 113.70 105.42 1jps s SER 7 Ca 0.39 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 56.03 1jps s SER 7 Cb -0.11 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1jps s SER 7 CO 0.30 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 173.98 1jps n GLY 8 N -0.38 0.55 3.58 7.32 0.00 -1.26 -1.54 105.19 113.45 1jps n GLY 8 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 1jps n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jps s GLY 9 N -1.17 1.55 0.00 -0.02 0.00 -1.26 -4.63 107.32 101.79 1jps s GLY 9 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1jps s GLY 9 CO 0.00 0.11 0.00 0.61 0.00 0.00 0.00 173.10 173.82 1jps n GLY 10 N -0.60 0.43 3.75 0.20 0.00 0.06 -5.00 105.19 104.03 1jps n GLY 10 Ca 0.10 -2.18 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 1jps n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jps s LEU 11 N 0.00 4.50 -0.02 0.99 1.02 -1.26 -1.35 118.68 122.55 1jps s LEU 11 Ca 0.00 2.28 0.00 0.00 0.02 0.00 0.00 54.13 56.43 1jps s LEU 11 Cb 0.00 -3.62 0.03 0.00 0.02 0.00 0.00 46.19 42.62 1jps s LEU 11 CO 0.00 -0.27 0.02 -0.69 0.02 0.00 0.00 176.35 175.42 1jps s VAL 12 N -0.64 0.01 0.51 -1.59 1.01 -0.50 -4.92 120.40 114.29 1jps s VAL 12 Ca 0.49 0.16 -0.20 0.00 0.00 0.00 0.00 61.98 62.43 1jps s VAL 12 Cb -0.33 -0.12 -0.07 0.00 0.00 0.00 0.00 36.38 35.86 1jps s VAL 12 CO 0.40 0.09 1.07 -1.10 0.00 0.00 0.00 175.10 175.57 1jps s GLN 13 N 0.95 3.61 0.22 2.72 -0.21 -1.25 -0.77 119.66 124.93 1jps s GLN 13 Ca -0.08 1.45 -0.32 0.00 0.02 0.00 0.00 55.36 56.43 1jps s GLN 13 Cb -0.12 -2.06 -0.14 0.00 1.00 0.00 0.00 33.01 31.70 1jps s GLN 13 CO -0.02 -0.61 1.42 -2.30 -2.12 0.00 0.00 175.29 171.66 1jps n PRO 14 N -1.14 2.00 -0.08 2.91 -0.02 -1.26 0.34 135.00 137.75 1jps n PRO 14 Ca 0.10 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1jps n PRO 14 Cb 0.52 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 1jps n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jps n GLY 15 N 2.30 2.00 0.00 -1.23 0.00 0.90 -4.92 105.19 104.23 1jps n GLY 15 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1jps n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jps n GLY 16 N -2.00 -0.53 3.21 -0.02 0.00 0.15 -3.89 105.19 102.11 1jps n GLY 16 Ca 0.00 -1.75 -0.27 0.00 0.00 0.00 0.00 46.02 44.01 1jps n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jps s SER 17 N -1.00 2.34 0.11 1.61 0.01 -1.26 -1.59 113.70 113.93 1jps s SER 17 Ca 0.00 -0.36 -0.08 0.00 1.31 0.00 0.00 55.95 56.82 1jps s SER 17 Cb 0.00 -0.29 -0.06 0.00 0.21 0.00 0.00 66.02 65.89 1jps s SER 17 CO 0.00 0.24 0.41 -1.48 0.41 0.00 0.00 173.24 172.82 1jps s LEU 18 N -0.44 4.30 -0.24 2.44 0.05 -0.36 -4.93 118.68 119.50 1jps s LEU 18 Ca 0.07 0.74 -0.04 0.00 0.05 0.00 0.00 54.13 54.95 1jps s LEU 18 Cb -0.08 -3.16 0.08 0.00 -2.05 0.00 0.00 46.19 40.99 1jps s LEU 18 CO -0.01 0.11 0.11 -0.13 -0.55 0.00 0.00 176.35 175.88 1jps s ARG 19 N -2.24 0.17 0.25 1.48 0.52 -1.26 -1.94 118.95 115.93 1jps s ARG 19 Ca 0.37 -0.37 0.10 0.00 -0.52 0.00 0.00 55.73 55.31 1jps s ARG 19 Cb -0.13 -1.47 -0.04 0.00 0.52 0.00 0.00 34.95 33.82 1jps s ARG 19 CO 0.20 -0.87 -0.07 -0.51 0.02 0.00 0.00 175.30 174.07 1jps s LEU 20 N 2.09 3.00 0.11 2.53 1.43 0.72 -4.58 118.68 123.97 1jps s LEU 20 Ca 0.06 -0.72 0.05 0.00 -1.03 0.00 0.00 54.13 52.49 1jps s LEU 20 Cb -0.16 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 1jps s LEU 20 CO -0.25 0.04 -0.12 -0.94 0.23 0.00 0.00 176.35 175.30 1jps s SER 21 N -3.42 1.75 -0.31 2.29 1.04 -0.59 -1.42 113.70 113.04 1jps s SER 21 Ca 0.29 -0.79 -0.01 0.00 0.48 0.00 0.00 55.95 55.92 1jps s SER 21 Cb -0.07 -0.04 0.10 0.00 0.10 0.00 0.00 66.02 66.12 1jps s SER 21 CO 0.18 -0.18 0.11 0.00 0.98 0.00 0.00 173.24 174.32 1jps s ALA 23 N 1.63 3.61 -0.02 0.00 0.00 0.72 -1.47 121.76 126.23 1jps s ALA 23 Ca 0.10 -0.18 -0.02 0.00 0.00 0.00 0.00 51.96 51.87 1jps s ALA 23 Cb -0.17 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 1jps s ALA 23 CO -0.26 -0.82 0.11 0.00 0.00 0.00 0.00 175.76 174.80 1jps s ALA 24 N 2.56 3.70 0.01 0.00 0.00 -0.80 -0.98 121.76 126.25 1jps s ALA 24 Ca 0.33 -0.82 -0.05 0.00 0.00 0.00 0.00 51.96 51.43 1jps s ALA 24 Cb -0.16 -1.70 -0.01 0.00 0.00 0.00 0.00 23.12 21.26 1jps s ALA 24 CO 0.09 0.70 0.08 -1.54 0.00 0.00 0.00 175.76 175.08 1jps s SER 25 N -1.70 0.09 0.00 0.00 1.04 -0.57 -4.85 113.70 107.71 1jps s SER 25 Ca 0.23 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1jps s SER 25 Cb -0.12 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.17 1jps s SER 25 CO 0.14 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.65 1jps n GLY 26 N 1.61 0.65 3.67 7.32 0.00 -1.26 -1.49 105.19 115.69 1jps n GLY 26 Ca -0.22 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.75 1jps n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1jps s PHE 27 N -2.43 -0.19 -0.24 1.61 -0.12 -1.26 -4.68 117.98 110.66 1jps s PHE 27 Ca 0.00 -0.05 -0.12 0.00 -0.05 0.00 0.00 56.93 56.71 1jps s PHE 27 Cb 0.00 0.60 -0.05 0.00 -0.63 0.00 0.00 43.02 42.95 1jps s PHE 27 CO 0.00 -0.72 0.24 -0.80 -0.05 0.00 0.00 175.22 173.89 1jps s ASN 28 N -2.80 6.18 0.63 1.98 0.01 -1.26 -4.98 114.94 114.70 1jps s ASN 28 Ca 0.10 0.19 0.36 0.00 -0.71 0.00 0.00 52.86 52.80 1jps s ASN 28 Cb -0.01 -2.15 2.06 0.00 0.41 0.00 0.00 41.25 41.56 1jps s ASN 28 CO -0.01 -0.01 2.27 0.16 -1.51 0.00 0.00 177.10 178.00 1jps h ILE 29 N 5.12 0.27 0.00 0.60 3.07 -1.92 -1.60 117.51 123.05 1jps h ILE 29 Ca -0.36 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.05 1jps h ILE 29 Cb 1.17 0.96 0.00 0.00 -0.27 0.00 0.00 36.82 38.68 1jps h ILE 29 CO 0.65 0.00 0.00 0.50 -1.05 0.00 0.00 178.15 178.25 1jps h LYS 30 N 0.00 0.00 0.00 0.16 3.64 -1.94 -1.31 116.57 117.12 1jps h LYS 30 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1jps h LYS 30 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1jps h LYS 30 CO -0.00 0.00 -0.06 0.39 -2.27 0.00 0.00 179.45 177.51 1jps n GLU 31 N -2.54 0.02 -1.76 1.90 -0.58 -0.60 -4.33 120.64 112.74 1jps n GLU 31 Ca -0.00 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1jps n GLU 31 Cb 0.15 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 1jps n GLU 31 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1jps n TYR 32 N -1.54 0.00 -5.22 -0.32 4.02 -0.50 -5.06 117.16 108.54 1jps n TYR 32 Ca 0.07 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.64 1jps n TYR 32 Cb 0.34 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.50 1jps n TYR 32 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1jps s TYR 33 N -1.52 2.48 -0.18 -0.72 2.02 -1.13 -4.27 117.35 114.03 1jps s TYR 33 Ca 0.00 -0.70 -0.05 0.00 -0.37 0.00 0.00 57.07 55.95 1jps s TYR 33 Cb 0.00 -1.62 -0.03 0.00 -0.40 0.00 0.00 41.96 39.92 1jps s TYR 33 CO 0.00 -0.20 -0.01 -1.64 -1.57 0.00 0.00 175.55 172.13 1jps s MET 34 N -0.15 3.67 0.27 -0.62 -1.94 -0.30 -1.28 119.30 118.94 1jps s MET 34 Ca -0.04 -0.51 0.10 0.00 -1.71 0.00 0.00 55.69 53.54 1jps s MET 34 Cb -0.14 -3.02 -0.04 0.00 2.01 0.00 0.00 34.83 33.63 1jps s MET 34 CO 0.04 0.13 -0.05 -1.01 -0.01 0.00 0.00 175.02 174.11 1jps s HIS 35 N 0.69 2.60 -0.08 -0.03 3.76 -0.12 -1.14 115.29 120.98 1jps s HIS 35 Ca -0.01 -0.25 0.04 0.00 -0.15 0.00 0.00 55.06 54.70 1jps s HIS 35 Cb -0.14 -1.15 -0.01 0.00 1.11 0.00 0.00 32.58 32.39 1jps s HIS 35 CO 0.02 0.64 -0.22 -1.58 -0.85 0.00 0.00 174.74 172.75 1jps s TRP 36 N -2.35 2.55 -0.01 1.40 0.52 -0.39 -0.42 118.94 120.24 1jps s TRP 36 Ca 0.31 -0.79 0.02 0.00 0.02 0.00 0.00 56.10 55.65 1jps s TRP 36 Cb -0.06 -1.67 0.00 0.00 -1.15 0.00 0.00 33.47 30.59 1jps s TRP 36 CO 0.19 -0.26 -0.06 0.08 0.02 0.00 0.00 176.95 176.91 1jps s VAL 37 N 0.05 0.55 0.25 4.03 1.01 -0.28 -1.53 120.40 124.47 1jps s VAL 37 Ca -0.09 -0.26 0.08 0.00 0.00 0.00 0.00 61.98 61.71 1jps s VAL 37 Cb -0.15 -0.48 -0.05 0.00 0.00 0.00 0.00 36.38 35.69 1jps s VAL 37 CO 0.06 0.17 -0.12 0.00 0.00 0.00 0.00 175.10 175.21 1jps s ARG 38 N 0.07 1.48 -0.20 2.72 1.70 0.18 0.17 118.95 125.06 1jps s ARG 38 Ca -0.01 -1.70 -0.04 0.00 -0.47 0.00 0.00 55.73 53.52 1jps s ARG 38 Cb -0.05 -1.24 0.10 0.00 -0.57 0.00 0.00 34.95 33.18 1jps s ARG 38 CO -0.00 0.15 0.27 -1.14 -1.08 0.00 0.00 175.30 173.50 1jps s GLN 39 N -3.66 0.23 0.56 3.89 0.74 -0.15 -0.21 119.66 121.06 1jps s GLN 39 Ca 0.26 0.39 -0.18 0.00 0.05 0.00 0.00 55.36 55.88 1jps s GLN 39 Cb 0.00 -0.81 -0.05 0.00 1.10 0.00 0.00 33.01 33.25 1jps s GLN 39 CO 0.10 -0.59 1.10 0.00 -0.55 0.00 0.00 175.29 175.35 1jps s ALA 40 N 2.40 2.69 -0.21 1.58 0.00 -1.26 -1.15 121.76 125.81 1jps s ALA 40 Ca 0.07 0.68 -0.40 0.00 0.00 0.00 0.00 51.96 52.32 1jps s ALA 40 Cb -0.15 -3.32 -0.16 0.00 0.00 0.00 0.00 23.12 19.49 1jps s ALA 40 CO -0.13 -0.79 1.64 -2.30 0.00 0.00 0.00 175.76 174.18 1jps n PRO 41 N -1.53 1.07 -0.99 0.00 -0.02 -1.26 -0.36 135.00 131.90 1jps n PRO 41 Ca 0.11 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1jps n PRO 41 Cb 0.52 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1jps n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jps n GLY 42 N 3.77 0.18 1.74 -1.23 0.00 -1.26 -4.98 105.19 103.41 1jps n GLY 42 Ca 0.25 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.15 1jps n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jps n LYS 43 N -0.48 1.12 -2.35 1.61 4.76 0.51 -5.14 118.16 118.19 1jps n LYS 43 Ca 0.00 -1.57 -0.25 0.00 -2.87 0.00 0.00 58.31 53.62 1jps n LYS 43 Cb 0.31 0.17 0.08 0.00 -1.84 0.00 0.00 35.03 33.75 1jps n LYS 43 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1jps s GLY 44 N -2.76 1.74 0.32 0.72 0.00 -1.26 -4.67 107.32 101.41 1jps s GLY 44 Ca 0.14 -1.20 -0.28 0.00 0.00 0.00 0.00 44.72 43.38 1jps s GLY 44 CO 0.09 -0.75 1.18 1.08 0.00 0.00 0.00 173.10 174.69 1jps s LEU 45 N -5.18 4.45 -0.08 0.66 1.43 -1.26 -4.31 118.68 114.39 1jps s LEU 45 Ca 0.62 2.41 -0.00 0.00 -1.03 0.00 0.00 54.13 56.13 1jps s LEU 45 Cb -0.09 -3.71 0.02 0.00 0.03 0.00 0.00 46.19 42.45 1jps s LEU 45 CO 0.44 -0.36 -0.04 -0.70 0.23 0.00 0.00 176.35 175.92 1jps s GLU 46 N -1.71 1.02 0.14 1.70 2.12 0.71 -4.98 118.70 117.69 1jps s GLU 46 Ca 0.48 -0.10 -0.30 0.00 0.36 0.00 0.00 54.97 55.41 1jps s GLU 46 Cb -0.34 -1.15 -0.07 0.00 0.26 0.00 0.00 34.13 32.83 1jps s GLU 46 CO 0.44 -0.21 1.11 -0.46 -0.54 0.00 0.00 175.26 175.61 1jps s TRP 47 N 1.51 3.56 -0.21 5.30 -0.00 -1.26 -0.65 118.94 127.20 1jps s TRP 47 Ca -0.01 1.54 -0.13 0.00 -0.00 0.00 0.00 56.10 57.51 1jps s TRP 47 Cb -0.13 -3.30 -0.09 0.00 -0.00 0.00 0.00 33.47 29.95 1jps s TRP 47 CO -0.04 -0.72 -0.30 0.28 -0.00 0.00 0.00 176.95 176.17 1jps n VAL 48 N 2.78 1.34 0.00 5.86 0.31 -0.58 -4.73 118.33 123.30 1jps n VAL 48 Ca 0.04 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1jps n VAL 48 Cb 0.46 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.46 1jps n VAL 48 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jps n GLY 49 N 1.60 -0.98 3.09 2.92 0.00 -1.16 -0.84 105.19 109.82 1jps n GLY 49 Ca -0.37 -1.08 -0.07 0.00 0.00 0.00 0.00 46.02 44.50 1jps n GLY 49 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1jps s LEU 50 N 0.00 2.48 -0.01 0.99 0.05 -0.41 -1.26 118.68 120.52 1jps s LEU 50 Ca 0.00 -1.00 0.01 0.00 0.05 0.00 0.00 54.13 53.19 1jps s LEU 50 Cb 0.00 0.20 -0.00 0.00 -2.05 0.00 0.00 46.19 44.34 1jps s LEU 50 CO 0.00 -0.60 -0.05 -0.51 -0.55 0.00 0.00 176.35 174.64 1jps s ILE 51 N -3.92 0.38 -0.45 1.48 2.07 -0.29 -1.37 121.20 119.09 1jps s ILE 51 Ca 0.07 -0.19 -0.11 0.00 -1.41 0.00 0.00 60.65 59.02 1jps s ILE 51 Cb 0.08 -0.33 0.09 0.00 0.13 0.00 0.00 42.46 42.44 1jps s ILE 51 CO -0.10 0.11 0.33 -0.62 -1.91 0.00 0.00 174.94 172.75 1jps s ASP 52 N -0.04 5.78 0.00 4.50 -1.08 0.26 -1.15 116.67 124.93 1jps s ASP 52 Ca 0.01 -1.63 0.09 0.00 -0.52 0.00 0.00 52.55 50.50 1jps s ASP 52 Cb -0.03 -2.04 0.45 0.00 -1.46 0.00 0.00 42.92 39.84 1jps s ASP 52 CO -0.00 -0.63 1.16 -2.65 0.52 0.00 0.00 175.17 173.57 1jps n PRO 53 N 4.99 0.13 -0.19 4.34 -0.02 -1.26 -0.23 135.00 142.74 1jps n PRO 53 Ca -0.10 0.20 -0.05 0.00 -2.02 0.00 0.00 63.50 61.53 1jps n PRO 53 Cb 0.42 -1.50 0.13 0.00 -0.02 0.00 0.00 33.50 32.53 1jps n PRO 53 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1jps h GLU 54 N 0.00 0.98 0.00 -0.52 4.57 -1.86 -3.37 114.58 114.38 1jps h GLU 54 Ca 0.00 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 57.97 1jps h GLU 54 Cb 0.09 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 1jps h GLU 54 CO 0.00 0.86 0.00 0.00 -1.18 0.00 0.00 179.01 178.69 1jps n GLN 55 N -4.26 0.00 -0.84 1.92 0.00 -1.06 -5.03 117.38 108.12 1jps n GLN 55 Ca 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 57.00 56.77 1jps n GLN 55 Cb 0.23 -0.43 0.00 0.00 0.00 0.00 0.00 30.24 30.04 1jps n GLN 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1jps n GLY 56 N 0.00 0.66 3.76 2.61 0.00 0.67 -5.02 105.19 107.88 1jps n GLY 56 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1jps n GLY 56 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jps s ASN 57 N -2.24 6.45 -0.01 1.61 0.01 -1.19 -4.73 114.94 114.84 1jps s ASN 57 Ca 0.00 2.92 0.04 0.00 -0.71 0.00 0.00 52.86 55.11 1jps s ASN 57 Cb 0.00 -2.65 -0.01 0.00 0.41 0.00 0.00 41.25 39.00 1jps s ASN 57 CO 0.00 -0.82 -0.14 0.42 -1.51 0.00 0.00 177.10 175.05 1jps s THR 58 N -0.63 1.12 -0.08 1.60 -4.23 -1.26 -0.58 115.64 111.58 1jps s THR 58 Ca 0.56 -0.63 0.03 0.00 -1.18 0.00 0.00 61.69 60.48 1jps s THR 58 Cb -0.45 -0.94 0.01 0.00 1.34 0.00 0.00 72.50 72.45 1jps s THR 58 CO 0.54 0.30 -0.18 -0.63 -0.54 0.00 0.00 174.62 174.11 1jps s ILE 59 N -0.36 1.62 0.05 2.99 -1.09 -0.47 -4.99 121.20 118.95 1jps s ILE 59 Ca 0.05 -0.76 0.07 0.00 -2.23 0.00 0.00 60.65 57.78 1jps s ILE 59 Cb -0.06 -1.42 -0.03 0.00 -1.58 0.00 0.00 42.46 39.36 1jps s ILE 59 CO -0.00 0.46 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.71 1jps s TYR 60 N 0.48 2.63 0.34 3.97 2.02 -1.26 -1.29 117.35 124.24 1jps s TYR 60 Ca -0.17 -0.21 -0.28 0.00 -0.37 0.00 0.00 57.07 56.04 1jps s TYR 60 Cb -0.17 -1.46 -0.10 0.00 -0.40 0.00 0.00 41.96 39.83 1jps s TYR 60 CO 0.06 0.31 1.29 0.34 -1.57 0.00 0.00 175.55 175.99 1jps s ASP 61 N -1.64 6.73 0.54 2.29 -1.08 -0.02 -4.78 116.67 118.70 1jps s ASP 61 Ca 0.16 2.66 0.34 0.00 -0.52 0.00 0.00 52.55 55.19 1jps s ASP 61 Cb -0.11 -2.65 1.52 0.00 -1.46 0.00 0.00 42.92 40.22 1jps s ASP 61 CO 0.07 -0.56 1.84 -0.65 0.52 0.00 0.00 175.17 176.39 1jps h PRO 62 N 3.28 0.01 0.00 4.34 0.11 -1.96 0.13 132.00 137.92 1jps h PRO 62 Ca -0.49 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1jps h PRO 62 Cb 1.23 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1jps h PRO 62 CO 0.65 0.01 -0.07 0.87 -0.21 0.00 0.00 178.00 179.25 1jps h LYS 63 N 0.01 0.00 -0.00 1.05 1.57 -1.95 -3.21 116.57 114.04 1jps h LYS 63 Ca 0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 1jps h LYS 63 Cb 2.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.35 1jps h LYS 63 CO -0.01 0.07 -0.07 1.19 -0.57 0.00 0.00 179.45 180.05 1jps n PHE 64 N -3.35 0.00 -0.28 -1.35 3.72 0.40 -4.81 117.46 111.80 1jps n PHE 64 Ca -0.01 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.48 1jps n PHE 64 Cb 0.23 0.00 0.25 0.00 -0.94 0.00 0.00 39.48 39.01 1jps n PHE 64 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1jps h GLN 65 N 0.25 0.28 -0.01 -1.08 5.75 -1.40 -1.15 115.11 117.75 1jps h GLN 65 Ca 0.00 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1jps h GLN 65 Cb 0.09 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.58 1jps h GLN 65 CO 0.00 0.18 -0.24 -0.25 -2.65 0.00 0.00 178.83 175.88 1jps n ASP 66 N -5.15 1.02 0.00 -0.69 8.00 -1.26 -4.24 116.55 114.24 1jps n ASP 66 Ca 0.18 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.78 1jps n ASP 66 Cb 0.58 0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 1jps n ASP 66 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1jps n ARG 67 N -0.62 0.41 -4.20 -1.24 1.85 -0.62 -5.04 116.66 107.20 1jps n ARG 67 Ca 0.13 -0.79 -0.15 0.00 -1.00 0.00 0.00 57.85 56.04 1jps n ARG 67 Cb 0.35 -0.94 -0.11 0.00 -1.05 0.00 0.00 32.46 30.70 1jps n ARG 67 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1jps s ALA 68 N -0.32 1.25 -0.06 2.89 0.00 -0.53 0.11 121.76 125.09 1jps s ALA 68 Ca 0.00 -1.26 -0.01 0.00 0.00 0.00 0.00 51.96 50.69 1jps s ALA 68 Cb 0.00 0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.16 1jps s ALA 68 CO 0.00 -0.02 0.01 0.99 0.00 0.00 0.00 175.76 176.74 1jps s THR 69 N -2.52 0.29 -0.11 0.00 2.01 0.16 -4.87 115.64 110.60 1jps s THR 69 Ca 0.08 0.17 -0.03 0.00 0.31 0.00 0.00 61.69 62.22 1jps s THR 69 Cb -0.02 -0.46 -0.03 0.00 0.01 0.00 0.00 72.50 72.00 1jps s THR 69 CO 0.01 0.24 0.01 -0.63 -0.69 0.00 0.00 174.62 173.56 1jps s ILE 70 N 1.94 4.39 0.27 1.82 1.01 -1.26 -1.08 121.20 128.29 1jps s ILE 70 Ca 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 60.65 60.47 1jps s ILE 70 Cb -0.12 -2.88 -0.02 0.00 0.01 0.00 0.00 42.46 39.44 1jps s ILE 70 CO -0.05 0.57 0.29 -0.94 0.00 0.00 0.00 174.94 174.81 1jps s SER 71 N -0.53 0.63 -0.12 3.58 1.04 -0.86 -4.97 113.70 112.48 1jps s SER 71 Ca 0.09 -1.42 -0.18 0.00 0.48 0.00 0.00 55.95 54.91 1jps s SER 71 Cb -0.12 0.51 0.04 0.00 0.10 0.00 0.00 66.02 66.56 1jps s SER 71 CO 0.02 -1.03 0.47 0.00 0.98 0.00 0.00 173.24 173.68 1jps s ALA 72 N -3.75 -1.17 -0.30 5.32 0.00 -1.26 -0.15 121.76 120.45 1jps s ALA 72 Ca 0.35 1.08 0.02 0.00 0.00 0.00 0.00 51.96 53.41 1jps s ALA 72 Cb 0.03 -0.45 0.09 0.00 0.00 0.00 0.00 23.12 22.79 1jps s ALA 72 CO 0.17 -0.26 0.02 0.34 0.00 0.00 0.00 175.76 176.03 1jps s ASP 73 N -0.37 4.30 0.32 0.00 -1.08 -0.37 -5.00 116.67 114.46 1jps s ASP 73 Ca -0.05 -1.69 0.01 0.00 -0.52 0.00 0.00 52.55 50.30 1jps s ASP 73 Cb -0.03 -1.31 0.54 0.00 -1.46 0.00 0.00 42.92 40.66 1jps s ASP 73 CO 0.03 -0.33 1.94 0.78 0.52 0.00 0.00 175.17 178.11 1jps h ASN 74 N 7.84 0.75 0.30 -0.34 2.35 -1.92 0.92 115.58 125.47 1jps h ASN 74 Ca -0.12 -0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.52 1jps h ASN 74 Cb 1.04 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.21 1jps h ASN 74 CO 0.47 0.62 -0.25 0.77 -1.65 0.00 0.00 177.43 177.39 1jps h SER 75 N 0.84 0.00 -0.02 5.81 4.64 -1.96 -1.96 113.55 120.90 1jps h SER 75 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1jps h SER 75 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1jps h SER 75 CO -0.03 0.25 -0.22 0.29 -0.87 0.00 0.00 176.83 176.25 1jps n LYS 76 N -4.12 1.80 -4.01 4.77 5.02 -0.91 -4.97 118.16 115.74 1jps n LYS 76 Ca -0.02 -1.48 -0.28 0.00 -2.02 0.00 0.00 58.31 54.51 1jps n LYS 76 Cb 0.31 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.83 1jps n LYS 76 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1jps n ASN 77 N 0.69 -1.31 -4.10 4.39 5.15 0.27 -4.74 115.26 115.60 1jps n ASN 77 Ca 0.12 -0.99 -0.18 0.00 -0.60 0.00 0.00 54.58 52.93 1jps n ASN 77 Cb 0.53 -3.06 -0.13 0.00 -0.53 0.00 0.00 39.78 36.59 1jps n ASN 77 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1jps s THR 78 N -3.76 0.92 0.19 -0.44 2.01 -0.94 -1.90 115.64 111.73 1jps s THR 78 Ca 0.22 -0.89 0.10 0.00 0.31 0.00 0.00 61.69 61.43 1jps s THR 78 Cb -0.12 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.51 1jps s THR 78 CO 0.89 -0.03 -0.13 0.00 -0.69 0.00 0.00 174.62 174.66 1jps s ALA 79 N -0.82 2.84 0.11 7.40 0.00 -0.54 -1.24 121.76 129.52 1jps s ALA 79 Ca -0.00 -1.54 0.03 0.00 0.00 0.00 0.00 51.96 50.45 1jps s ALA 79 Cb -0.07 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 1jps s ALA 79 CO 0.01 0.44 -0.09 0.71 0.00 0.00 0.00 175.76 176.83 1jps s TYR 80 N -1.76 1.06 -0.04 0.00 1.51 0.79 -0.23 117.35 118.67 1jps s TYR 80 Ca 0.24 -0.78 -0.01 0.00 -1.01 0.00 0.00 57.07 55.51 1jps s TYR 80 Cb -0.08 -0.57 0.03 0.00 -0.11 0.00 0.00 41.96 41.23 1jps s TYR 80 CO 0.14 -0.03 0.06 -1.17 -1.11 0.00 0.00 175.55 173.44 1jps s LEU 81 N -2.89 0.55 -0.04 -1.29 2.96 -0.51 -2.02 118.68 115.45 1jps s LEU 81 Ca 0.11 0.10 0.06 0.00 -0.22 0.00 0.00 54.13 54.19 1jps s LEU 81 Cb 0.02 -0.03 -0.01 0.00 0.50 0.00 0.00 46.19 46.66 1jps s LEU 81 CO -0.02 -0.19 -0.22 -1.58 -1.32 0.00 0.00 176.35 173.03 1jps s GLN 82 N 1.66 2.01 -0.03 1.98 0.74 -0.24 -0.20 119.66 125.57 1jps s GLN 82 Ca -0.02 -0.78 0.01 0.00 0.05 0.00 0.00 55.36 54.62 1jps s GLN 82 Cb -0.12 -1.81 0.02 0.00 1.10 0.00 0.00 33.01 32.20 1jps s GLN 82 CO -0.03 0.39 -0.04 1.41 -0.55 0.00 0.00 175.29 176.47 1jps s MET 83 N -0.27 0.63 0.42 1.67 -2.45 -0.82 -0.66 119.30 117.82 1jps s MET 83 Ca 0.02 -0.08 0.08 0.00 -1.25 0.00 0.00 55.69 54.46 1jps s MET 83 Cb -0.11 -0.67 -0.01 0.00 1.25 0.00 0.00 34.83 35.29 1jps s MET 83 CO 0.01 -0.05 0.43 -0.80 1.05 0.00 0.00 175.02 175.65 1jps s ASN 84 N 0.74 5.16 -1.35 1.11 0.01 0.12 -1.23 114.94 119.51 1jps s ASN 84 Ca -0.09 -0.69 -0.05 0.00 -0.71 0.00 0.00 52.86 51.32 1jps s ASN 84 Cb -0.12 -0.55 -0.00 0.00 0.41 0.00 0.00 41.25 40.99 1jps s ASN 84 CO -0.00 -0.70 0.50 -1.20 -1.51 0.00 0.00 177.10 174.19 1jps n SER 85 N -1.63 -1.35 -4.77 -1.22 7.64 -0.89 -4.88 113.62 106.52 1jps n SER 85 Ca 0.05 -1.01 -0.40 0.00 1.01 0.00 0.00 58.87 58.51 1jps n SER 85 Cb 0.61 -3.11 -0.01 0.00 -1.01 0.00 0.00 64.21 60.70 1jps n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1jps s LEU 86 N -6.88 4.29 0.44 -3.43 1.43 -0.62 -4.63 118.68 109.27 1jps s LEU 86 Ca 0.10 2.70 0.04 0.00 -1.03 0.00 0.00 54.13 55.94 1jps s LEU 86 Cb -0.04 -3.80 -0.04 0.00 0.03 0.00 0.00 46.19 42.34 1jps s LEU 86 CO 0.88 -0.75 0.04 -0.13 0.23 0.00 0.00 176.35 176.62 1jps s ARG 87 N -2.08 2.00 0.31 1.70 1.81 -1.26 -0.07 118.95 121.35 1jps s ARG 87 Ca 0.54 -2.21 0.06 0.00 -1.72 0.00 0.00 55.73 52.40 1jps s ARG 87 Cb -0.39 -1.30 0.74 0.00 -0.45 0.00 0.00 34.95 33.55 1jps s ARG 87 CO 0.51 -0.27 1.79 0.00 -0.68 0.00 0.00 175.30 176.66 1jps h ALA 88 N 1.66 1.70 0.00 2.13 0.00 -1.97 -0.15 119.26 122.63 1jps h ALA 88 Ca -0.42 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1jps h ALA 88 Cb 1.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1jps h ALA 88 CO 0.72 -0.04 0.00 -0.85 0.00 0.00 0.00 179.25 179.08 1jps n GLU 89 N -4.71 0.09 0.00 0.00 0.28 -1.26 -1.77 120.64 113.26 1jps n GLU 89 Ca 0.22 0.25 0.13 0.00 -0.16 0.00 0.00 57.16 57.60 1jps n GLU 89 Cb 0.55 -1.50 0.33 0.00 1.43 0.00 0.00 31.44 32.25 1jps n GLU 89 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1jps n ASP 90 N -1.36 0.83 -4.68 -1.84 8.00 -0.07 -4.82 116.55 112.61 1jps n ASP 90 Ca 0.04 -0.66 -0.42 0.00 0.71 0.00 0.00 54.79 54.46 1jps n ASP 90 Cb 0.09 0.18 -0.03 0.00 -0.02 0.00 0.00 41.12 41.33 1jps n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1jps s THR 91 N -2.68 3.40 -0.07 -3.53 2.01 -0.73 -4.88 115.64 109.16 1jps s THR 91 Ca 0.20 0.71 -0.32 0.00 0.31 0.00 0.00 61.69 62.59 1jps s THR 91 Cb 0.19 -3.46 0.13 0.00 0.01 0.00 0.00 72.50 69.37 1jps s THR 91 CO 0.58 -0.02 1.31 0.00 -0.69 0.00 0.00 174.62 175.80 1jps s ALA 92 N 3.09 -2.27 -0.12 7.40 0.00 -0.72 -4.38 121.76 124.77 1jps s ALA 92 Ca 0.71 0.96 -0.20 0.00 0.00 0.00 0.00 51.96 53.43 1jps s ALA 92 Cb -0.35 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 1jps s ALA 92 CO 0.30 -0.96 0.56 0.08 0.00 0.00 0.00 175.76 175.75 1jps s VAL 93 N -2.32 5.12 -0.18 0.00 1.01 -0.30 -0.80 120.40 122.92 1jps s VAL 93 Ca 0.13 1.12 -0.05 0.00 0.00 0.00 0.00 61.98 63.19 1jps s VAL 93 Cb 0.04 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1jps s VAL 93 CO -0.04 0.26 -0.01 -0.31 0.00 0.00 0.00 175.10 175.00 1jps s TYR 94 N 0.94 3.04 0.03 5.22 1.51 0.39 -0.98 117.35 127.50 1jps s TYR 94 Ca 0.29 -0.38 0.04 0.00 -1.01 0.00 0.00 57.07 56.01 1jps s TYR 94 Cb -0.16 -2.04 -0.04 0.00 -0.11 0.00 0.00 41.96 39.62 1jps s TYR 94 CO 0.12 -0.15 -0.05 0.71 -1.11 0.00 0.00 175.55 175.08 1jps s TYR 95 N 0.74 2.93 -0.13 2.71 1.51 0.13 -1.27 117.35 123.97 1jps s TYR 95 Ca -0.00 -0.02 -0.06 0.00 -1.01 0.00 0.00 57.07 55.98 1jps s TYR 95 Cb -0.14 -1.59 -0.04 0.00 -0.11 0.00 0.00 41.96 40.08 1jps s TYR 95 CO 0.02 0.41 0.08 0.00 -1.11 0.00 0.00 175.55 174.95 1jps s ALA 97 N -0.57 0.50 -0.19 0.00 0.00 0.44 -1.16 121.76 120.79 1jps s ALA 97 Ca 0.11 -0.42 -0.17 0.00 0.00 0.00 0.00 51.96 51.48 1jps s ALA 97 Cb -0.12 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 1jps s ALA 97 CO 0.02 0.07 0.44 0.50 0.00 0.00 0.00 175.76 176.79 1jps s ARG 98 N -0.63 4.20 -0.23 0.00 3.52 -0.03 -0.94 118.95 124.84 1jps s ARG 98 Ca -0.02 0.28 -0.07 0.00 -0.13 0.00 0.00 55.73 55.80 1jps s ARG 98 Cb -0.05 -3.53 -0.03 0.00 -1.56 0.00 0.00 34.95 29.78 1jps s ARG 98 CO 0.00 -0.04 0.05 0.34 -0.81 0.00 0.00 175.30 174.84 1jps s ASP 99 N 1.01 5.11 0.00 -2.12 2.15 -0.40 -1.61 116.67 120.80 1jps s ASP 99 Ca 0.21 -0.17 0.27 0.00 0.43 0.00 0.00 52.55 53.30 1jps s ASP 99 Cb -0.15 -1.90 0.95 0.00 -0.30 0.00 0.00 42.92 41.52 1jps s ASP 99 CO 0.09 0.02 1.69 0.35 -0.17 0.00 0.00 175.17 177.14 1jps n THR 100 N 4.55 0.00 0.00 1.71 -2.24 -0.21 -2.82 114.28 115.27 1jps n THR 100 Ca -0.16 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1jps n THR 100 Cb 0.52 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 1jps n THR 100 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jps n ALA 101 N -0.60 0.00 -0.09 6.98 0.00 -1.26 -4.76 120.51 120.77 1jps n ALA 101 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.46 1jps n ALA 101 Cb 0.33 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.69 1jps n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jps n ALA 102 N -1.19 1.60 -3.80 0.00 0.00 -1.26 -5.10 120.51 110.77 1jps n ALA 102 Ca 0.00 -0.82 -0.04 0.00 0.00 0.00 0.00 53.44 52.58 1jps n ALA 102 Cb 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 19.45 19.50 1jps n ALA 102 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1jps s TYR 103 N -2.37 -0.05 -0.29 0.00 1.13 -1.26 -5.11 117.35 109.39 1jps s TYR 103 Ca -0.23 -0.31 -0.25 0.00 -1.41 0.00 0.00 57.07 54.87 1jps s TYR 103 Cb 0.06 0.67 0.00 0.00 -1.10 0.00 0.00 41.96 41.60 1jps s TYR 103 CO 0.45 -0.91 0.86 -0.06 -2.51 0.00 0.00 175.55 173.38 1jps s PHE 104 N -2.90 3.22 -0.61 -3.49 0.08 -1.26 -1.04 117.98 111.98 1jps s PHE 104 Ca 0.15 0.99 0.17 0.00 0.12 0.00 0.00 56.93 58.36 1jps s PHE 104 Cb -0.02 -3.28 -0.21 0.00 -0.57 0.00 0.00 43.02 38.95 1jps s PHE 104 CO 0.04 -0.57 0.64 -0.40 -0.10 0.00 0.00 175.22 174.83 1jps n ASP 105 N 6.30 0.85 -3.87 1.36 5.75 -0.63 -4.97 116.55 121.33 1jps n ASP 105 Ca 0.06 -0.68 -0.11 0.00 -0.01 0.00 0.00 54.79 54.05 1jps n ASP 105 Cb 0.48 1.20 -0.11 0.00 -1.03 0.00 0.00 41.12 41.65 1jps n ASP 105 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1jps s TYR 106 N -2.75 0.01 0.06 2.11 2.02 -1.25 -5.02 117.35 112.52 1jps s TYR 106 Ca 0.03 -0.03 0.02 0.00 -0.37 0.00 0.00 57.07 56.71 1jps s TYR 106 Cb 0.12 -0.04 -0.03 0.00 -0.40 0.00 0.00 41.96 41.62 1jps s TYR 106 CO 0.70 -0.20 -0.07 -1.58 -1.57 0.00 0.00 175.55 172.84 1jps s TRP 107 N -0.90 0.68 1.04 2.71 0.52 -1.26 -0.85 118.94 120.87 1jps s TRP 107 Ca -0.10 -0.67 -0.17 0.00 0.02 0.00 0.00 56.10 55.18 1jps s TRP 107 Cb -0.06 -0.41 0.23 0.00 -1.15 0.00 0.00 33.47 32.08 1jps s TRP 107 CO 0.01 -0.14 1.28 0.20 0.02 0.00 0.00 176.95 178.32 1jps s GLY 108 N -2.09 1.74 0.15 0.98 0.00 -0.31 -4.53 107.32 103.26 1jps s GLY 108 Ca -0.03 -1.19 0.26 0.00 0.00 0.00 0.00 44.72 43.76 1jps s GLY 108 CO -0.02 -0.36 1.69 0.61 0.00 0.00 0.00 173.10 175.02 1jps n GLN 109 N -4.06 0.22 0.00 2.90 0.00 -1.26 -4.81 117.38 110.37 1jps n GLN 109 Ca 0.15 0.15 0.00 0.00 0.00 0.00 0.00 57.00 57.30 1jps n GLN 109 Cb 0.59 -1.72 0.00 0.00 0.00 0.00 0.00 30.24 29.11 1jps n GLN 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1jps n GLY 110 N 1.35 0.38 2.87 2.61 0.00 -1.26 -5.04 105.19 106.10 1jps n GLY 110 Ca 0.05 -1.47 -0.18 0.00 0.00 0.00 0.00 46.02 44.42 1jps n GLY 110 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1jps s THR 111 N -1.67 0.36 0.00 2.61 -1.32 -0.40 -4.91 115.64 110.32 1jps s THR 111 Ca 0.00 -0.05 -0.26 0.00 -1.21 0.00 0.00 61.69 60.17 1jps s THR 111 Cb 0.00 -0.41 -0.04 0.00 -1.51 0.00 0.00 72.50 70.54 1jps s THR 111 CO 0.00 0.17 0.83 -0.22 -2.21 0.00 0.00 174.62 173.19 1jps s LEU 112 N 0.80 4.39 -0.18 9.08 2.96 -1.26 -0.46 118.68 134.01 1jps s LEU 112 Ca -0.09 1.46 -0.03 0.00 -0.22 0.00 0.00 54.13 55.25 1jps s LEU 112 Cb -0.12 -3.32 -0.02 0.00 0.50 0.00 0.00 46.19 43.23 1jps s LEU 112 CO -0.01 -0.12 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.15 1jps s VAL 113 N 0.55 3.47 -0.23 1.68 1.01 0.02 -0.76 120.40 126.15 1jps s VAL 113 Ca 0.43 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 1jps s VAL 113 Cb -0.20 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.65 1jps s VAL 113 CO 0.24 0.47 -0.06 -0.89 0.00 0.00 0.00 175.10 174.86 1jps s THR 114 N 0.84 3.15 -0.42 3.92 2.01 -0.46 -1.75 115.64 122.93 1jps s THR 114 Ca -0.02 -0.66 -0.23 0.00 0.31 0.00 0.00 61.69 61.09 1jps s THR 114 Cb -0.15 -2.47 0.02 0.00 0.01 0.00 0.00 72.50 69.91 1jps s THR 114 CO 0.01 0.37 0.76 -0.69 -0.69 0.00 0.00 174.62 174.39 1jps s VAL 115 N 1.43 4.70 0.03 3.82 1.01 -1.26 -1.40 120.40 128.72 1jps s VAL 115 Ca 0.04 0.54 -0.28 0.00 0.00 0.00 0.00 61.98 62.29 1jps s VAL 115 Cb -0.15 -4.27 0.08 0.00 0.00 0.00 0.00 36.38 32.04 1jps s VAL 115 CO -0.04 -0.60 0.69 -0.55 0.00 0.00 0.00 175.10 174.59 1jps s SER 116 N 2.02 -0.58 0.04 3.32 0.15 0.05 -4.84 113.70 113.85 1jps s SER 116 Ca 0.29 0.37 0.24 0.00 0.70 0.00 0.00 55.95 57.56 1jps s SER 116 Cb -0.13 0.53 0.36 0.00 -1.71 0.00 0.00 66.02 65.07 1jps s SER 116 CO 0.20 -0.73 1.30 -1.20 1.20 0.00 0.00 173.24 174.02 1jps n SER 117 N 0.32 0.59 -4.75 5.45 7.64 -1.26 -3.80 113.62 117.81 1jps n SER 117 Ca -0.17 -0.18 -0.29 0.00 1.01 0.00 0.00 58.87 59.24 1jps n SER 117 Cb 0.60 0.35 0.13 0.00 -1.01 0.00 0.00 64.21 64.29 1jps n SER 117 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jps s ALA 118 N -3.08 1.69 0.30 -0.43 0.00 -1.26 -5.07 121.76 113.92 1jps s ALA 118 Ca 0.08 -0.21 0.07 0.00 0.00 0.00 0.00 51.96 51.90 1jps s ALA 118 Cb 0.16 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 20.12 1jps s ALA 118 CO 0.73 -2.23 0.29 -1.54 0.00 0.00 0.00 175.76 173.01 1jps s SER 119 N -3.65 5.52 0.51 0.00 1.04 -1.26 -5.02 113.70 110.83 1jps s SER 119 Ca 0.63 -0.34 -0.21 0.00 0.48 0.00 0.00 55.95 56.51 1jps s SER 119 Cb -0.17 -1.19 -0.07 0.00 0.10 0.00 0.00 66.02 64.69 1jps s SER 119 CO 0.56 -0.25 1.13 0.42 0.98 0.00 0.00 173.24 176.07 1jps s THR 120 N -2.22 3.23 -0.11 2.02 -4.23 -1.26 -4.73 115.64 108.35 1jps s THR 120 Ca 0.39 0.82 -0.06 0.00 -1.18 0.00 0.00 61.69 61.66 1jps s THR 120 Cb -0.07 -3.36 0.04 0.00 1.34 0.00 0.00 72.50 70.45 1jps s THR 120 CO 0.27 -0.11 0.26 -0.75 -0.54 0.00 0.00 174.62 173.74 1jps s LYS 121 N -3.07 0.23 0.45 3.99 2.20 0.73 -4.92 119.74 119.34 1jps s LYS 121 Ca 0.69 0.52 -0.17 0.00 -0.36 0.00 0.00 55.97 56.65 1jps s LYS 121 Cb -0.24 -0.08 -0.09 0.00 -1.51 0.00 0.00 37.83 35.91 1jps s LYS 121 CO 0.28 -0.14 0.91 0.20 -0.36 0.00 0.00 175.35 176.24 1jps s GLY 122 N 1.11 2.19 0.52 5.54 0.00 -1.26 -1.37 107.32 114.05 1jps s GLY 122 Ca -0.08 0.18 -0.04 0.00 0.00 0.00 0.00 44.72 44.77 1jps s GLY 122 CO -0.08 0.43 0.81 2.56 0.00 0.00 0.00 173.10 176.83 1jps s PRO 123 N -3.60 3.18 0.01 2.90 0.04 -1.26 -4.57 135.00 131.70 1jps s PRO 123 Ca 0.58 -0.01 0.02 0.00 0.04 0.00 0.00 61.00 61.62 1jps s PRO 123 Cb -0.10 -2.36 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 1jps s PRO 123 CO 0.23 -0.43 0.01 -1.12 0.04 0.00 0.00 177.00 175.73 1jps s SER 124 N -4.21 5.18 -0.16 6.66 0.01 -0.62 -4.93 113.70 115.62 1jps s SER 124 Ca 0.50 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.76 1jps s SER 124 Cb -0.10 -1.36 0.01 0.00 0.21 0.00 0.00 66.02 64.77 1jps s SER 124 CO 0.44 0.27 -0.17 -0.69 0.41 0.00 0.00 173.24 173.50 1jps s VAL 125 N -1.12 2.46 0.07 3.43 1.01 -1.26 -0.90 120.40 124.09 1jps s VAL 125 Ca 0.21 -0.83 0.10 0.00 0.00 0.00 0.00 61.98 61.45 1jps s VAL 125 Cb -0.12 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 1jps s VAL 125 CO 0.11 0.52 -0.26 -0.36 0.00 0.00 0.00 175.10 175.11 1jps s PHE 126 N 1.00 2.27 0.41 5.22 0.40 0.19 -4.95 117.98 122.52 1jps s PHE 126 Ca -0.02 -0.40 -0.23 0.00 -0.60 0.00 0.00 56.93 55.68 1jps s PHE 126 Cb -0.15 -1.32 -0.10 0.00 0.51 0.00 0.00 43.02 41.97 1jps s PHE 126 CO -0.04 0.19 0.99 -1.25 0.70 0.00 0.00 175.22 175.81 1jps s PRO 127 N -1.51 4.19 -0.52 0.24 0.04 -1.26 0.58 135.00 136.76 1jps s PRO 127 Ca 0.12 1.31 -0.04 0.00 0.04 0.00 0.00 61.00 62.43 1jps s PRO 127 Cb -0.10 -2.37 0.14 0.00 0.04 0.00 0.00 34.50 32.21 1jps s PRO 127 CO 0.03 -0.09 0.34 -0.51 0.04 0.00 0.00 177.00 176.81 1jps s LEU 128 N -2.90 5.34 0.13 -3.56 1.43 0.75 -4.77 118.68 115.10 1jps s LEU 128 Ca 0.60 -2.39 -0.30 0.00 -1.03 0.00 0.00 54.13 51.00 1jps s LEU 128 Cb -0.16 -1.87 -0.07 0.00 0.03 0.00 0.00 46.19 44.13 1jps s LEU 128 CO 0.20 -0.49 1.12 0.00 0.23 0.00 0.00 176.35 177.41 1jps s ALA 129 N 0.62 3.36 0.31 4.21 0.00 -1.26 -1.00 121.76 128.00 1jps s ALA 129 Ca 0.12 0.80 -0.29 0.00 0.00 0.00 0.00 51.96 52.59 1jps s ALA 129 Cb -0.22 -3.38 -0.11 0.00 0.00 0.00 0.00 23.12 19.42 1jps s ALA 129 CO -0.04 -0.28 1.51 -1.25 0.00 0.00 0.00 175.76 175.71 1jps s PRO 130 N 0.13 4.16 0.21 0.00 0.04 -1.25 -4.88 135.00 133.41 1jps s PRO 130 Ca 0.52 2.50 0.02 0.00 0.04 0.00 0.00 61.00 64.08 1jps s PRO 130 Cb -0.29 -3.03 0.15 0.00 0.04 0.00 0.00 34.50 31.37 1jps s PRO 130 CO 0.33 -0.53 1.49 1.03 0.04 0.00 0.00 177.00 179.36 1jps h SER 131 N 4.27 0.33 -0.04 6.66 0.87 -1.95 -3.43 113.55 120.26 1jps h SER 131 Ca -0.48 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 59.87 1jps h SER 131 Cb 1.23 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1jps h SER 131 CO 0.74 0.92 0.00 -0.24 -0.53 0.00 0.00 176.83 177.72 1jps n SER 132 N -3.83 -0.03 0.00 6.23 2.88 -1.26 -5.14 113.62 112.47 1jps n SER 132 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1jps n SER 132 Cb 0.68 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.13 1jps n SER 132 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jps n GLY 137 N -0.02 0.00 0.12 0.46 0.00 -1.26 -4.65 105.19 99.84 1jps n GLY 137 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1jps n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jps n GLY 138 N 0.00 -0.65 3.54 -0.02 0.00 -1.26 -4.74 105.19 102.06 1jps n GLY 138 Ca 0.00 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 1jps n GLY 138 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jps s THR 139 N -2.53 3.69 0.18 2.61 2.01 -1.26 -1.20 115.64 119.14 1jps s THR 139 Ca -0.22 -0.47 0.10 0.00 0.31 0.00 0.00 61.69 61.42 1jps s THR 139 Cb 0.08 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 70.00 1jps s THR 139 CO 0.72 0.57 -0.20 0.00 -0.69 0.00 0.00 174.62 175.02 1jps s ALA 140 N -0.40 2.65 0.07 7.40 0.00 0.70 -4.77 121.76 127.41 1jps s ALA 140 Ca 0.06 -1.56 0.10 0.00 0.00 0.00 0.00 51.96 50.55 1jps s ALA 140 Cb -0.12 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 1jps s ALA 140 CO 0.02 0.46 -0.26 0.00 0.00 0.00 0.00 175.76 175.98 1jps s ALA 141 N -1.60 2.26 0.20 0.00 0.00 -1.26 -0.81 121.76 120.55 1jps s ALA 141 Ca 0.21 -1.31 -0.11 0.00 0.00 0.00 0.00 51.96 50.75 1jps s ALA 141 Cb -0.08 -0.44 -0.00 0.00 0.00 0.00 0.00 23.12 22.59 1jps s ALA 141 CO 0.11 0.53 0.38 -0.48 0.00 0.00 0.00 175.76 176.30 1jps s LEU 142 N -1.46 0.60 0.00 0.00 0.05 -0.68 -3.89 118.68 113.31 1jps s LEU 142 Ca 0.12 -0.87 0.00 0.00 0.05 0.00 0.00 54.13 53.43 1jps s LEU 142 Cb -0.10 1.50 0.00 0.00 -2.05 0.00 0.00 46.19 45.54 1jps s LEU 142 CO 0.03 -1.01 0.00 0.61 -0.55 0.00 0.00 176.35 175.43 1jps n GLY 143 N -0.30 0.83 2.94 -3.48 0.00 -0.17 -1.12 105.19 103.88 1jps n GLY 143 Ca -0.05 -0.71 -0.16 0.00 0.00 0.00 0.00 46.02 45.11 1jps n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jps s LEU 145 N 0.02 3.51 -0.47 0.00 2.96 0.20 -1.20 118.68 123.70 1jps s LEU 145 Ca 0.00 -0.18 -0.11 0.00 -0.22 0.00 0.00 54.13 53.62 1jps s LEU 145 Cb -0.03 -1.94 0.10 0.00 0.50 0.00 0.00 46.19 44.81 1jps s LEU 145 CO -0.00 -0.03 0.35 -0.69 -1.32 0.00 0.00 176.35 174.66 1jps s VAL 146 N 1.59 4.56 0.04 1.68 1.01 0.94 -0.64 120.40 129.58 1jps s VAL 146 Ca 0.06 -1.49 0.04 0.00 0.00 0.00 0.00 61.98 60.59 1jps s VAL 146 Cb -0.15 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1jps s VAL 146 CO 0.04 -0.67 -0.07 -0.75 0.00 0.00 0.00 175.10 173.65 1jps s LYS 147 N 1.47 2.44 -0.71 2.72 2.20 -0.08 -0.40 119.74 127.37 1jps s LYS 147 Ca 0.04 -0.81 -0.02 0.00 -0.36 0.00 0.00 55.97 54.82 1jps s LYS 147 Cb -0.26 -2.45 0.00 0.00 -1.51 0.00 0.00 37.83 33.62 1jps s LYS 147 CO 0.02 0.57 0.68 -0.25 -0.36 0.00 0.00 175.35 176.02 1jps n ASP 148 N 1.24 -7.65 -4.18 1.43 8.00 -0.31 -1.59 116.55 113.50 1jps n ASP 148 Ca -0.14 -0.06 -0.11 0.00 0.71 0.00 0.00 54.79 55.18 1jps n ASP 148 Cb 0.52 -5.11 -0.10 0.00 -0.02 0.00 0.00 41.12 36.41 1jps n ASP 148 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1jps s TYR 149 N -2.95 0.95 -0.27 1.24 1.13 -0.78 -4.02 117.35 112.64 1jps s TYR 149 Ca 0.03 -0.86 -0.24 0.00 -1.41 0.00 0.00 57.07 54.59 1jps s TYR 149 Cb -0.01 -0.53 0.08 0.00 -1.10 0.00 0.00 41.96 40.40 1jps s TYR 149 CO 0.76 -0.10 0.79 0.12 -2.51 0.00 0.00 175.55 174.60 1jps s PHE 150 N -3.41 -0.75 0.00 -3.49 5.36 -0.47 -0.89 117.98 114.32 1jps s PHE 150 Ca 0.11 1.78 0.00 0.00 -0.96 0.00 0.00 56.93 57.86 1jps s PHE 150 Cb 0.04 0.33 0.00 0.00 -0.34 0.00 0.00 43.02 43.05 1jps s PHE 150 CO -0.03 -0.36 0.00 -0.35 -1.46 0.00 0.00 175.22 173.01 1jps n PRO 151 N 2.81 0.68 -1.44 10.12 -0.04 -1.26 -0.19 135.00 145.68 1jps n PRO 151 Ca -0.14 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.01 1jps n PRO 151 Cb 0.56 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.12 1jps n PRO 151 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1jps s GLU 152 N -2.22 1.96 0.54 0.54 2.02 -1.26 -4.81 118.70 115.46 1jps s GLU 152 Ca 0.00 0.76 0.05 0.00 0.02 0.00 0.00 54.97 55.79 1jps s GLU 152 Cb 0.00 -1.89 0.03 0.00 0.10 0.00 0.00 34.13 32.36 1jps s GLU 152 CO 0.00 -1.74 0.32 -1.25 0.02 0.00 0.00 175.26 172.61 1jps s PRO 153 N -5.07 2.24 0.05 0.39 0.04 -1.26 -4.92 135.00 126.48 1jps s PRO 153 Ca 0.61 -2.10 0.05 0.00 0.04 0.00 0.00 61.00 59.61 1jps s PRO 153 Cb -0.15 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 1jps s PRO 153 CO 0.55 -0.57 -0.15 0.08 0.04 0.00 0.00 177.00 176.96 1jps s VAL 154 N -2.79 1.15 0.07 -0.36 1.01 -1.26 -4.51 120.40 113.71 1jps s VAL 154 Ca 0.28 -1.11 0.09 0.00 0.00 0.00 0.00 61.98 61.24 1jps s VAL 154 Cb -0.01 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 1jps s VAL 154 CO 0.17 -0.06 -0.25 0.42 0.00 0.00 0.00 175.10 175.38 1jps s THR 155 N -0.98 2.07 -0.01 3.92 -4.23 -0.59 -4.98 115.64 110.84 1jps s THR 155 Ca 0.01 -1.48 0.02 0.00 -1.18 0.00 0.00 61.69 59.06 1jps s THR 155 Cb -0.09 -1.80 0.00 0.00 1.34 0.00 0.00 72.50 71.95 1jps s THR 155 CO 0.02 0.24 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.59 1jps s VAL 156 N -0.90 0.50 0.21 2.29 1.01 -1.26 -1.29 120.40 120.96 1jps s VAL 156 Ca 0.11 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.89 1jps s VAL 156 Cb -0.10 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 35.78 1jps s VAL 156 CO 0.03 0.16 0.03 -0.94 0.00 0.00 0.00 175.10 174.38 1jps s SER 157 N 0.12 1.36 -0.09 3.32 1.04 -0.61 -4.96 113.70 113.88 1jps s SER 157 Ca -0.01 -1.25 0.05 0.00 0.48 0.00 0.00 55.95 55.22 1jps s SER 157 Cb -0.06 0.11 -0.00 0.00 0.10 0.00 0.00 66.02 66.17 1jps s SER 157 CO -0.00 -0.61 -0.24 0.26 0.98 0.00 0.00 173.24 173.63 1jps s TRP 158 N -3.63 2.49 -1.38 5.02 0.52 -1.26 -0.30 118.94 120.40 1jps s TRP 158 Ca 0.29 -0.93 -0.01 0.00 0.02 0.00 0.00 56.10 55.47 1jps s TRP 158 Cb 0.07 -1.65 0.01 0.00 -1.15 0.00 0.00 33.47 30.74 1jps s TRP 158 CO 0.08 -0.35 0.56 0.09 0.02 0.00 0.00 176.95 177.35 1jps n ASN 159 N 3.35 -0.89 -2.38 2.95 4.13 0.36 -1.03 115.26 121.76 1jps n ASN 159 Ca -0.19 -0.92 -0.16 0.00 1.68 0.00 0.00 54.58 54.99 1jps n ASN 159 Cb 0.53 -3.49 -0.01 0.00 -1.54 0.00 0.00 39.78 35.26 1jps n ASN 159 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1jps n SER 160 N -3.00 -4.87 0.00 6.41 7.64 -1.26 -1.70 113.62 116.84 1jps n SER 160 Ca -0.28 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.70 1jps n SER 160 Cb 0.67 -4.10 0.00 0.00 -1.01 0.00 0.00 64.21 59.77 1jps n SER 160 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jps n GLY 161 N -0.88 0.77 0.19 0.23 0.00 -0.19 -4.93 105.19 100.37 1jps n GLY 161 Ca -0.19 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.78 1jps n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jps h ALA 162 N 0.00 0.93 -2.66 4.61 0.00 -1.21 -3.41 119.26 117.52 1jps h ALA 162 Ca 0.00 -0.48 -0.70 0.00 0.00 0.00 0.00 54.91 53.74 1jps h ALA 162 Cb 0.00 -0.09 -0.21 0.00 0.00 0.00 0.00 17.79 17.49 1jps h ALA 162 CO 0.00 0.66 -0.47 -1.17 0.00 0.00 0.00 179.25 178.27 1jps s LEU 163 N -8.18 4.73 0.00 0.00 2.96 -1.09 -4.89 118.68 112.22 1jps s LEU 163 Ca -0.05 -0.69 0.00 0.00 -0.22 0.00 0.00 54.13 53.17 1jps s LEU 163 Cb 0.12 -2.12 0.00 0.00 0.50 0.00 0.00 46.19 44.70 1jps s LEU 163 CO 0.80 -0.33 0.00 0.35 -1.32 0.00 0.00 176.35 175.84 1jps n THR 164 N 5.10 0.00 -2.28 3.68 -2.24 -1.26 -4.15 114.28 113.13 1jps n THR 164 Ca -0.12 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.25 1jps n THR 164 Cb 0.48 -0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 68.21 1jps n THR 164 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1jps s SER 165 N -2.04 6.99 0.00 3.42 1.04 -1.26 -2.71 113.70 119.14 1jps s SER 165 Ca 0.00 2.42 0.00 0.00 0.48 0.00 0.00 55.95 58.85 1jps s SER 165 Cb 0.00 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1jps s SER 165 CO 0.00 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.42 1jps n GLY 166 N 1.59 1.22 3.75 7.32 0.00 -1.26 -4.80 105.19 113.01 1jps n GLY 166 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1jps n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jps s VAL 167 N -3.65 4.85 -0.16 1.61 1.01 -1.10 -2.86 120.40 120.10 1jps s VAL 167 Ca 0.00 1.45 -0.01 0.00 0.00 0.00 0.00 61.98 63.41 1jps s VAL 167 Cb 0.00 -4.03 0.05 0.00 0.00 0.00 0.00 36.38 32.40 1jps s VAL 167 CO 0.00 0.37 -0.01 -1.00 0.00 0.00 0.00 175.10 174.45 1jps s HIS 168 N 0.03 1.34 -0.31 5.22 3.76 0.13 -4.99 115.29 120.46 1jps s HIS 168 Ca 0.35 -0.89 -0.07 0.00 -0.15 0.00 0.00 55.06 54.31 1jps s HIS 168 Cb -0.19 -1.15 0.02 0.00 1.11 0.00 0.00 32.58 32.37 1jps s HIS 168 CO 0.20 -0.57 0.10 0.99 -0.85 0.00 0.00 174.74 174.60 1jps s THR 169 N 1.75 4.01 0.60 1.30 2.01 -1.26 -0.84 115.64 123.21 1jps s THR 169 Ca 0.01 -0.77 -0.14 0.00 0.31 0.00 0.00 61.69 61.09 1jps s THR 169 Cb -0.15 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 1jps s THR 169 CO -0.07 0.01 1.03 -0.36 -0.69 0.00 0.00 174.62 174.54 1jps s PHE 170 N 1.49 3.24 0.43 4.92 0.08 -0.52 -5.01 117.98 122.61 1jps s PHE 170 Ca 0.02 1.45 -0.25 0.00 0.12 0.00 0.00 56.93 58.26 1jps s PHE 170 Cb -0.18 -2.88 -0.08 0.00 -0.57 0.00 0.00 43.02 39.31 1jps s PHE 170 CO 0.03 -0.86 1.34 -2.14 -0.10 0.00 0.00 175.22 173.48 1jps s PRO 171 N -4.44 3.83 0.73 0.24 0.02 -1.26 -4.57 135.00 129.54 1jps s PRO 171 Ca 0.60 2.22 -0.13 0.00 0.02 0.00 0.00 61.00 63.71 1jps s PRO 171 Cb -0.13 -2.68 0.03 0.00 0.02 0.00 0.00 34.50 31.74 1jps s PRO 171 CO 0.42 -0.63 1.11 0.00 -0.33 0.00 0.00 177.00 177.56 1jps s ALA 172 N -1.26 2.31 -0.06 -1.55 0.00 -1.26 -4.81 121.76 115.13 1jps s ALA 172 Ca 0.59 0.43 0.05 0.00 0.00 0.00 0.00 51.96 53.03 1jps s ALA 172 Cb -0.39 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 19.40 1jps s ALA 172 CO 0.50 -1.60 -0.21 0.14 0.00 0.00 0.00 175.76 174.59 1jps s VAL 173 N -2.61 2.38 -0.31 0.00 -7.23 -0.24 -4.95 120.40 107.45 1jps s VAL 173 Ca 0.64 -0.95 -0.23 0.00 -1.81 0.00 0.00 61.98 59.63 1jps s VAL 173 Cb -0.19 -1.90 0.00 0.00 0.56 0.00 0.00 36.38 34.85 1jps s VAL 173 CO 0.49 0.57 0.79 -0.22 -0.31 0.00 0.00 175.10 176.42 1jps s LEU 174 N -0.21 4.09 0.69 1.32 2.96 -1.26 -1.63 118.68 124.63 1jps s LEU 174 Ca -0.01 0.66 -0.10 0.00 -0.22 0.00 0.00 54.13 54.46 1jps s LEU 174 Cb -0.13 -3.08 0.02 0.00 0.50 0.00 0.00 46.19 43.49 1jps s LEU 174 CO 0.03 -0.62 1.06 -1.10 -1.32 0.00 0.00 176.35 174.41 1jps s GLN 175 N 2.97 2.83 0.56 1.98 -0.21 0.18 -4.93 119.66 123.04 1jps s GLN 175 Ca 0.32 0.35 0.26 0.00 0.02 0.00 0.00 55.36 56.31 1jps s GLN 175 Cb -0.14 -2.07 1.52 0.00 1.00 0.00 0.00 33.01 33.32 1jps s GLN 175 CO 0.13 -0.99 2.08 0.77 -2.12 0.00 0.00 175.29 175.15 1jps h SER 176 N -0.58 0.00 0.87 5.90 0.02 -1.97 0.51 113.55 118.31 1jps h SER 176 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1jps h SER 176 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1jps h SER 176 CO 0.63 0.00 0.00 0.77 -1.14 0.00 0.00 176.83 177.09 1jps h SER 177 N 0.00 0.00 0.00 3.07 4.64 -2.02 -3.46 113.55 115.78 1jps h SER 177 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1jps h SER 177 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1jps h SER 177 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1jps n GLY 178 N -0.06 0.58 3.71 -0.77 0.00 0.17 -5.07 105.19 103.75 1jps n GLY 178 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 1jps n GLY 178 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jps s LEU 179 N 0.00 3.52 0.37 0.99 1.43 -1.26 -4.86 118.68 118.87 1jps s LEU 179 Ca 0.00 -0.22 -0.03 0.00 -1.03 0.00 0.00 54.13 52.85 1jps s LEU 179 Cb 0.00 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 1jps s LEU 179 CO 0.00 0.12 0.62 -0.31 0.23 0.00 0.00 176.35 177.02 1jps s TYR 180 N -1.55 3.51 -0.04 0.29 1.51 -0.07 -0.65 117.35 120.36 1jps s TYR 180 Ca 0.28 0.58 -0.04 0.00 -1.01 0.00 0.00 57.07 56.88 1jps s TYR 180 Cb -0.11 -2.08 0.01 0.00 -0.11 0.00 0.00 41.96 39.67 1jps s TYR 180 CO 0.20 0.02 0.11 0.45 -1.11 0.00 0.00 175.55 175.22 1jps s SER 181 N -3.79 -0.09 0.01 2.29 0.15 -0.64 -1.16 113.70 110.46 1jps s SER 181 Ca 0.43 0.16 -0.05 0.00 0.70 0.00 0.00 55.95 57.20 1jps s SER 181 Cb -0.10 0.23 -0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1jps s SER 181 CO 0.37 -0.08 0.08 -0.22 1.20 0.00 0.00 173.24 174.58 1jps s LEU 182 N -0.14 1.78 0.10 3.45 0.20 0.46 -1.08 118.68 123.44 1jps s LEU 182 Ca -0.02 -0.27 0.09 0.00 0.69 0.00 0.00 54.13 54.62 1jps s LEU 182 Cb -0.02 0.47 -0.03 0.00 -0.43 0.00 0.00 46.19 46.18 1jps s LEU 182 CO 0.00 -0.33 -0.23 -0.94 -0.29 0.00 0.00 176.35 174.56 1jps s SER 183 N -1.31 2.82 -0.05 3.68 1.04 -1.26 -0.04 113.70 118.58 1jps s SER 183 Ca -0.14 -0.67 0.03 0.00 0.48 0.00 0.00 55.95 55.64 1jps s SER 183 Cb -0.08 -0.19 0.01 0.00 0.10 0.00 0.00 66.02 65.86 1jps s SER 183 CO 0.01 0.13 -0.12 -0.55 0.98 0.00 0.00 173.24 173.69 1jps s SER 184 N -1.78 1.67 0.23 7.02 0.15 -0.34 -1.44 113.70 119.20 1jps s SER 184 Ca 0.09 -0.27 0.03 0.00 0.70 0.00 0.00 55.95 56.50 1jps s SER 184 Cb -0.10 -0.65 -0.05 0.00 -1.71 0.00 0.00 66.02 63.51 1jps s SER 184 CO 0.04 0.06 0.02 0.68 1.20 0.00 0.00 173.24 175.24 1jps s VAL 185 N 0.46 0.90 -0.09 4.45 -7.23 -0.02 -0.50 120.40 118.37 1jps s VAL 185 Ca -0.10 -2.02 -0.14 0.00 -1.81 0.00 0.00 61.98 57.92 1jps s VAL 185 Cb -0.13 -2.37 0.03 0.00 0.56 0.00 0.00 36.38 34.47 1jps s VAL 185 CO 0.03 -0.28 0.35 0.54 -0.31 0.00 0.00 175.10 175.42 1jps s VAL 186 N -3.51 0.02 -0.11 1.32 0.11 -0.28 -0.70 120.40 117.26 1jps s VAL 186 Ca 0.29 -0.18 -0.03 0.00 -2.93 0.00 0.00 61.98 59.13 1jps s VAL 186 Cb 0.06 -0.56 -0.03 0.00 -1.53 0.00 0.00 36.38 34.32 1jps s VAL 186 CO 0.09 -0.10 0.01 0.42 -3.33 0.00 0.00 175.10 172.19 1jps s THR 187 N -0.43 4.35 0.16 5.04 -4.23 -1.13 -1.68 115.64 117.71 1jps s THR 187 Ca -0.06 -0.22 -0.04 0.00 -1.18 0.00 0.00 61.69 60.20 1jps s THR 187 Cb -0.04 -2.86 -0.03 0.00 1.34 0.00 0.00 72.50 70.91 1jps s THR 187 CO 0.02 0.57 0.15 0.68 -0.54 0.00 0.00 174.62 175.50 1jps s VAL 188 N -0.52 0.07 0.28 2.29 -7.23 0.01 -4.80 120.40 110.51 1jps s VAL 188 Ca 0.09 -1.77 -0.29 0.00 -1.81 0.00 0.00 61.98 58.20 1jps s VAL 188 Cb -0.12 -2.07 -0.10 0.00 0.56 0.00 0.00 36.38 34.65 1jps s VAL 188 CO 0.02 -0.33 1.39 -2.84 -0.31 0.00 0.00 175.10 173.03 1jps s PRO 189 N -4.04 4.29 0.35 4.82 0.02 -1.26 -0.22 135.00 138.96 1jps s PRO 189 Ca 0.25 2.28 0.05 0.00 0.02 0.00 0.00 61.00 63.60 1jps s PRO 189 Cb 0.06 -3.09 0.71 0.00 0.02 0.00 0.00 34.50 32.20 1jps s PRO 189 CO 0.03 -0.34 1.92 0.77 -0.33 0.00 0.00 177.00 179.06 1jps h SER 190 N 4.34 0.72 0.13 2.53 0.02 -1.45 -1.75 113.55 118.10 1jps h SER 190 Ca -0.47 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1jps h SER 190 Cb 1.22 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1jps h SER 190 CO 0.73 0.44 0.00 -1.54 -1.14 0.00 0.00 176.83 175.31 1jps n SER 191 N -4.50 0.00 0.03 3.07 3.41 -1.26 -1.86 113.62 112.51 1jps n SER 191 Ca 0.13 0.06 0.11 0.00 -0.26 0.00 0.00 58.87 58.91 1jps n SER 191 Cb 0.28 -0.22 0.06 0.00 -0.26 0.00 0.00 64.21 64.07 1jps n SER 191 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1jps n SER 192 N -1.22 0.63 -4.71 4.04 3.41 -0.66 -4.78 113.62 110.33 1jps n SER 192 Ca 0.05 -0.15 -0.42 0.00 -0.26 0.00 0.00 58.87 58.09 1jps n SER 192 Cb 0.06 0.65 -0.03 0.00 -0.26 0.00 0.00 64.21 64.63 1jps n SER 192 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1jps s LEU 193 N -3.95 4.36 0.00 1.04 1.43 -0.78 -1.02 118.68 119.77 1jps s LEU 193 Ca 0.04 2.48 0.00 0.00 -1.03 0.00 0.00 54.13 55.63 1jps s LEU 193 Cb 0.14 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.78 1jps s LEU 193 CO 0.78 -0.80 0.00 0.61 0.23 0.00 0.00 176.35 177.17 1jps n GLY 194 N 3.76 2.55 0.44 -3.19 0.00 -1.26 -4.82 105.19 102.67 1jps n GLY 194 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 1jps n GLY 194 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1jps n THR 195 N -2.00 1.00 -3.39 2.61 -1.04 -0.61 -4.98 114.28 105.87 1jps n THR 195 Ca 0.00 -0.24 -0.38 0.00 -2.04 0.00 0.00 64.05 61.40 1jps n THR 195 Cb 0.00 -1.76 -0.06 0.00 -1.82 0.00 0.00 70.33 66.69 1jps n THR 195 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1jps s GLN 196 N -2.34 4.23 0.08 -2.82 2.00 -0.19 -5.07 119.66 115.55 1jps s GLN 196 Ca -0.25 0.40 -0.23 0.00 -2.00 0.00 0.00 55.36 53.27 1jps s GLN 196 Cb 0.10 -3.38 -0.06 0.00 0.80 0.00 0.00 33.01 30.46 1jps s GLN 196 CO 0.32 0.30 0.71 0.99 -0.50 0.00 0.00 175.29 177.11 1jps s THR 197 N 0.17 4.66 -0.09 -0.34 2.01 -1.26 -4.81 115.64 115.97 1jps s THR 197 Ca 0.24 1.52 0.04 0.00 0.31 0.00 0.00 61.69 63.80 1jps s THR 197 Cb -0.15 -4.06 0.00 0.00 0.01 0.00 0.00 72.50 68.30 1jps s THR 197 CO 0.10 0.45 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.95 1jps s TYR 198 N -0.56 2.33 -0.04 4.92 1.51 -1.26 -4.98 117.35 119.27 1jps s TYR 198 Ca 0.35 -0.92 0.00 0.00 -1.01 0.00 0.00 57.07 55.49 1jps s TYR 198 Cb -0.21 -1.57 0.03 0.00 -0.11 0.00 0.00 41.96 40.10 1jps s TYR 198 CO 0.22 -0.37 -0.00 0.42 -1.11 0.00 0.00 175.55 174.71 1jps s ILE 199 N 0.35 0.25 -0.15 2.71 1.01 -1.26 -0.81 121.20 123.30 1jps s ILE 199 Ca -0.17 0.08 -0.12 0.00 0.00 0.00 0.00 60.65 60.44 1jps s ILE 199 Cb -0.17 -0.35 -0.05 0.00 0.01 0.00 0.00 42.46 41.90 1jps s ILE 199 CO 0.07 0.18 0.25 0.00 0.00 0.00 0.00 174.94 175.44 1jps s ASN 201 N 0.13 5.76 -0.11 0.00 -0.87 0.59 -1.22 114.94 119.23 1jps s ASN 201 Ca 0.15 -0.72 -0.02 0.00 -1.57 0.00 0.00 52.86 50.70 1jps s ASN 201 Cb -0.13 -2.05 -0.03 0.00 -0.02 0.00 0.00 41.25 39.02 1jps s ASN 201 CO 0.03 -0.30 -0.02 -0.69 -2.57 0.00 0.00 177.10 173.56 1jps s VAL 202 N 1.62 4.10 -0.04 1.60 1.01 0.14 -1.57 120.40 127.26 1jps s VAL 202 Ca 0.04 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1jps s VAL 202 Cb -0.18 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.47 1jps s VAL 202 CO 0.07 0.56 -0.05 0.21 0.00 0.00 0.00 175.10 175.89 1jps s ASN 203 N -0.40 0.94 -0.41 3.32 3.84 -0.41 -0.97 114.94 120.85 1jps s ASN 203 Ca 0.07 -0.13 0.02 0.00 0.21 0.00 0.00 52.86 53.02 1jps s ASN 203 Cb -0.12 -0.43 0.12 0.00 -0.55 0.00 0.00 41.25 40.27 1jps s ASN 203 CO 0.02 -0.03 0.19 -2.28 -2.79 0.00 0.00 177.10 172.21 1jps s HIS 204 N 0.78 2.06 0.20 0.43 5.65 0.10 -1.54 115.29 122.98 1jps s HIS 204 Ca -0.11 -2.33 -0.10 0.00 0.25 0.00 0.00 55.06 52.78 1jps s HIS 204 Cb -0.13 -1.94 0.24 0.00 -1.18 0.00 0.00 32.58 29.57 1jps s HIS 204 CO 0.00 -0.81 1.77 0.87 -0.65 0.00 0.00 174.74 175.92 1jps h LYS 205 N 7.09 0.51 -0.53 2.88 1.79 -1.80 -1.34 116.57 125.17 1jps h LYS 205 Ca -0.04 -0.03 0.15 0.00 -2.18 0.00 0.00 60.65 58.55 1jps h LYS 205 Cb 0.95 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.47 1jps h LYS 205 CO 0.49 0.34 0.51 -1.35 -1.08 0.00 0.00 179.45 178.35 1jps h PRO 206 N 0.52 0.00 -0.16 3.15 0.11 -1.92 0.59 132.00 134.29 1jps h PRO 206 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 1jps h PRO 206 Cb 0.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.38 1jps h PRO 206 CO -0.23 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.43 1jps n SER 207 N -3.84 2.38 -2.76 -2.05 3.41 -1.03 -4.93 113.62 104.80 1jps n SER 207 Ca 0.10 -1.93 -0.20 0.00 -0.26 0.00 0.00 58.87 56.59 1jps n SER 207 Cb 0.72 -0.11 0.01 0.00 -0.26 0.00 0.00 64.21 64.57 1jps n SER 207 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1jps n ASN 208 N 0.04 -5.18 -4.71 4.04 3.02 0.20 -4.91 115.26 107.76 1jps n ASN 208 Ca 0.06 -0.11 -0.39 0.00 -0.03 0.00 0.00 54.58 54.11 1jps n ASN 208 Cb 0.32 -4.28 -0.06 0.00 -0.61 0.00 0.00 39.78 35.16 1jps n ASN 208 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1jps s THR 209 N -2.97 5.14 -0.09 3.41 2.01 -0.57 -4.97 115.64 117.61 1jps s THR 209 Ca 0.16 1.08 -0.02 0.00 0.31 0.00 0.00 61.69 63.22 1jps s THR 209 Cb -0.08 -3.88 0.04 0.00 0.01 0.00 0.00 72.50 68.59 1jps s THR 209 CO 0.20 0.28 0.04 -0.75 -0.69 0.00 0.00 174.62 173.69 1jps s LYS 210 N 0.86 0.32 -0.01 4.92 2.20 -1.26 -0.72 119.74 126.05 1jps s LYS 210 Ca 0.29 0.12 0.03 0.00 -0.36 0.00 0.00 55.97 56.05 1jps s LYS 210 Cb -0.16 -1.05 -0.01 0.00 -1.51 0.00 0.00 37.83 35.10 1jps s LYS 210 CO 0.12 -0.40 -0.11 0.08 -0.36 0.00 0.00 175.35 174.68 1jps s VAL 211 N 2.05 0.88 -0.23 4.02 1.01 -0.14 -5.00 120.40 122.99 1jps s VAL 211 Ca 0.04 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.54 1jps s VAL 211 Cb -0.13 -0.74 0.04 0.00 0.00 0.00 0.00 36.38 35.55 1jps s VAL 211 CO -0.05 0.23 -0.14 -1.81 0.00 0.00 0.00 175.10 173.32 1jps s ASP 212 N -0.32 3.92 -0.20 3.32 1.01 -1.26 0.28 116.67 123.43 1jps s ASP 212 Ca 0.04 -1.09 -0.02 0.00 0.71 0.00 0.00 52.55 52.19 1jps s ASP 212 Cb -0.04 -1.53 -0.00 0.00 1.01 0.00 0.00 42.92 42.36 1jps s ASP 212 CO -0.00 -0.11 -0.10 -0.75 0.21 0.00 0.00 175.17 174.42 1jps s LYS 213 N 1.18 3.27 0.03 8.23 2.47 -0.36 -4.94 119.74 129.63 1jps s LYS 213 Ca -0.03 -0.69 -0.30 0.00 -1.56 0.00 0.00 55.97 53.39 1jps s LYS 213 Cb -0.17 -2.84 -0.04 0.00 -1.46 0.00 0.00 37.83 33.32 1jps s LYS 213 CO -0.08 -0.16 1.00 0.21 0.16 0.00 0.00 175.35 176.48 1jps s LYS 214 N 1.30 4.58 -0.27 4.03 2.20 -1.26 -1.09 119.74 129.23 1jps s LYS 214 Ca 0.04 1.46 -0.05 0.00 -0.36 0.00 0.00 55.97 57.06 1jps s LYS 214 Cb -0.14 -3.43 0.01 0.00 -1.51 0.00 0.00 37.83 32.76 1jps s LYS 214 CO -0.05 -0.01 0.03 0.08 -0.36 0.00 0.00 175.35 175.04 1jps s VAL 215 N 0.79 3.65 0.22 4.02 1.01 0.01 -4.96 120.40 125.14 1jps s VAL 215 Ca 0.51 -0.74 0.11 0.00 0.00 0.00 0.00 61.98 61.86 1jps s VAL 215 Cb -0.22 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 1jps s VAL 215 CO 0.29 0.15 -0.21 -1.61 0.00 0.00 0.00 175.10 173.71 1jps s GLU 216 N 1.46 1.52 0.00 2.72 2.02 -1.26 -4.40 118.70 120.76 1jps s GLU 216 Ca 0.02 -1.60 0.06 0.00 0.02 0.00 0.00 54.97 53.47 1jps s GLU 216 Cb -0.17 -1.68 0.36 0.00 0.10 0.00 0.00 34.13 32.75 1jps s GLU 216 CO 0.00 0.34 0.83 -0.35 0.02 0.00 0.00 175.26 176.10