#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eef n SER 2 N 0.00 0.68 -4.75 1.61 2.88 -1.26 -5.05 113.62 107.73 2eef n SER 2 Ca 0.00 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.18 2eef n SER 2 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 2eef n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2eef s SER 3 N -4.80 5.75 0.00 -3.46 1.04 -1.26 -5.11 113.70 105.87 2eef s SER 3 Ca 0.00 0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.69 2eef s SER 3 Cb 0.00 -1.79 0.00 0.00 0.10 0.00 0.00 66.02 64.33 2eef s SER 3 CO 0.00 0.35 0.00 0.61 0.98 0.00 0.00 173.24 175.18 2eef n GLY 4 N 2.33 -2.87 2.99 7.32 0.00 -1.26 -5.06 105.19 108.64 2eef n GLY 4 Ca -0.19 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 44.87 2eef n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eef s SER 5 N -1.84 0.44 -0.16 1.61 0.15 -1.26 -5.14 113.70 107.50 2eef s SER 5 Ca 0.00 -0.43 -0.04 0.00 0.70 0.00 0.00 55.95 56.18 2eef s SER 5 Cb 0.00 0.06 0.07 0.00 -1.71 0.00 0.00 66.02 64.44 2eef s SER 5 CO 0.00 -0.21 0.19 -0.55 1.20 0.00 0.00 173.24 173.87 2eef s SER 6 N -1.24 1.24 0.00 5.45 0.15 -1.26 -5.03 113.70 113.00 2eef s SER 6 Ca -0.11 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.50 2eef s SER 6 Cb -0.08 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 2eef s SER 6 CO -0.00 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.75 2eef n GLY 7 N 5.32 0.98 3.05 9.45 0.00 -1.26 -5.14 105.19 117.59 2eef n GLY 7 Ca -0.05 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 2eef n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2eef s ALA 8 N 0.00 2.44 -1.15 4.61 0.00 -1.26 -5.05 121.76 121.36 2eef s ALA 8 Ca 0.00 -1.64 -0.22 0.00 0.00 0.00 0.00 51.96 50.09 2eef s ALA 8 Cb 0.00 -1.52 -0.05 0.00 0.00 0.00 0.00 23.12 21.55 2eef s ALA 8 CO 0.00 -1.12 1.89 -1.83 0.00 0.00 0.00 175.76 174.70 2eef s GLU 9 N 1.17 2.76 0.06 0.00 -1.05 -1.26 -4.88 118.70 115.51 2eef s GLU 9 Ca -0.07 -1.13 0.00 0.00 -0.15 0.00 0.00 54.97 53.62 2eef s GLU 9 Cb -0.19 -5.26 -0.04 0.00 -0.44 0.00 0.00 34.13 28.20 2eef s GLU 9 CO -0.06 -3.56 -0.04 -1.12 0.95 0.00 0.00 175.26 171.42 2eef s SER 10 N 6.37 0.70 0.14 0.83 0.01 -1.26 -5.16 113.70 115.33 2eef s SER 10 Ca 0.66 -0.92 0.01 0.00 1.31 0.00 0.00 55.95 57.01 2eef s SER 10 Cb -0.01 0.15 -0.04 0.00 0.21 0.00 0.00 66.02 66.33 2eef s SER 10 CO 0.09 -0.50 0.30 -1.61 0.41 0.00 0.00 173.24 171.93 2eef s GLU 11 N -3.48 3.47 1.08 12.44 0.41 -1.26 -5.11 118.70 126.25 2eef s GLU 11 Ca 0.05 -0.48 -0.18 0.00 -0.41 0.00 0.00 54.97 53.95 2eef s GLU 11 Cb 0.04 -2.94 0.26 0.00 -1.78 0.00 0.00 34.13 29.70 2eef s GLU 11 CO -0.07 0.51 1.25 0.43 -0.49 0.00 0.00 175.26 176.90 2eef n SER 12 N -0.38 -0.71 -5.01 -0.19 7.64 -1.26 -4.84 113.62 108.87 2eef n SER 12 Ca -0.06 -1.37 -0.21 0.00 1.01 0.00 0.00 58.87 58.24 2eef n SER 12 Cb 0.53 -1.02 0.05 0.00 -1.01 0.00 0.00 64.21 62.76 2eef n SER 12 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2eef s PHE 13 N -3.59 1.45 0.24 1.43 0.40 -1.26 -1.90 117.98 114.75 2eef s PHE 13 Ca 0.74 -0.74 -0.09 0.00 -0.60 0.00 0.00 56.93 56.24 2eef s PHE 13 Cb -0.04 -2.16 -0.01 0.00 0.51 0.00 0.00 43.02 41.32 2eef s PHE 13 CO 0.54 -1.03 0.38 0.14 0.70 0.00 0.00 175.22 175.95 2eef s VAL 14 N -2.68 0.00 -0.19 -0.44 -7.23 0.15 -4.49 120.40 105.52 2eef s VAL 14 Ca 0.57 -1.58 -0.09 0.00 -1.81 0.00 0.00 61.98 59.07 2eef s VAL 14 Cb -0.05 -2.31 -0.05 0.00 0.56 0.00 0.00 36.38 34.54 2eef s VAL 14 CO 0.36 0.00 0.11 -0.76 -0.31 0.00 0.00 175.10 174.50 2eef s LEU 15 N -3.07 4.09 -0.13 1.32 1.43 -1.26 -2.51 118.68 118.56 2eef s LEU 15 Ca 0.27 0.20 0.02 0.00 -1.03 0.00 0.00 54.13 53.59 2eef s LEU 15 Cb 0.01 -2.05 0.21 0.00 0.03 0.00 0.00 46.19 44.40 2eef s LEU 15 CO 0.10 0.19 1.23 -0.67 0.23 0.00 0.00 176.35 177.44 2eef n ASP 16 N 3.42 3.13 -3.85 2.29 -0.08 -1.17 -4.82 116.55 115.48 2eef n ASP 16 Ca -0.16 -2.47 -0.12 0.00 -1.51 0.00 0.00 54.79 50.53 2eef n ASP 16 Cb 0.52 -0.60 -0.10 0.00 2.34 0.00 0.00 41.12 43.29 2eef n ASP 16 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 2eef s PHE 17 N -1.07 -0.01 0.03 -0.67 -0.12 -1.26 -4.93 117.98 109.94 2eef s PHE 17 Ca 0.17 -0.02 -0.30 0.00 -0.05 0.00 0.00 56.93 56.74 2eef s PHE 17 Cb 0.14 -0.02 -0.04 0.00 -0.63 0.00 0.00 43.02 42.48 2eef s PHE 17 CO 0.04 -0.29 0.96 -1.12 -0.05 0.00 0.00 175.22 174.76 2eef s SER 18 N -1.27 7.40 0.17 1.98 0.01 -1.26 -4.96 113.70 115.76 2eef s SER 18 Ca -0.13 1.69 -0.22 0.00 1.31 0.00 0.00 55.95 58.59 2eef s SER 18 Cb -0.07 -2.57 -0.14 0.00 0.21 0.00 0.00 66.02 63.46 2eef s SER 18 CO 0.02 -0.19 0.41 0.00 0.41 0.00 0.00 173.24 173.89 2eef n GLN 19 N 3.54 0.00 -0.04 12.44 1.13 -1.26 -4.87 117.38 128.31 2eef n GLN 19 Ca 0.05 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.98 2eef n GLN 19 Cb 0.50 -0.81 -0.08 0.00 0.11 0.00 0.00 30.24 29.97 2eef n GLN 19 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 2eef h PRO 20 N 0.79 0.28 -1.06 -1.09 0.13 -1.80 -3.15 132.00 126.09 2eef h PRO 20 Ca -0.23 -0.15 0.28 0.00 -0.87 0.00 0.00 66.00 65.04 2eef h PRO 20 Cb 1.16 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.20 2eef h PRO 20 CO 0.46 0.68 0.69 0.66 -0.23 0.00 0.00 178.00 180.26 2eef h SER 21 N -0.12 0.41 -1.09 1.44 4.64 -1.70 -0.62 113.55 116.51 2eef h SER 21 Ca 0.02 0.08 0.40 0.00 -0.47 0.00 0.00 61.79 61.82 2eef h SER 21 Cb 0.63 0.02 -0.13 0.00 -0.31 0.00 0.00 62.40 62.61 2eef h SER 21 CO 0.03 0.06 0.67 0.00 -0.87 0.00 0.00 176.83 176.72 2eef n ALA 22 N -2.49 1.09 -3.51 5.18 0.00 -1.19 -3.01 120.51 116.57 2eef n ALA 22 Ca 0.26 0.78 -0.42 0.00 0.00 0.00 0.00 53.44 54.07 2eef n ALA 22 Cb 0.94 -0.90 -0.08 0.00 0.00 0.00 0.00 19.45 19.41 2eef n ALA 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2eef s ASP 23 N -4.39 5.82 0.16 0.00 1.01 -0.24 -4.95 116.67 114.08 2eef s ASP 23 Ca -0.07 -2.02 -0.16 0.00 0.71 0.00 0.00 52.55 51.01 2eef s ASP 23 Cb 0.27 -2.04 0.05 0.00 1.01 0.00 0.00 42.92 42.21 2eef s ASP 23 CO 0.69 -0.69 1.77 0.22 0.21 0.00 0.00 175.17 177.38 2eef h TYR 24 N 8.37 0.32 0.52 4.23 5.03 -1.80 0.23 116.97 133.87 2eef h TYR 24 Ca -0.19 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.11 2eef h TYR 24 Cb 1.07 -0.09 0.01 0.00 1.55 0.00 0.00 36.73 39.26 2eef h TYR 24 CO 0.69 0.16 -0.25 -0.07 -1.32 0.00 0.00 178.16 177.37 2eef h LEU 25 N 0.36 -0.59 -1.73 2.82 -0.00 -1.92 -0.89 115.31 113.36 2eef h LEU 25 Ca 0.16 0.01 0.25 0.00 -0.00 0.00 0.00 57.88 58.30 2eef h LEU 25 Cb 0.09 0.15 -0.06 0.00 -0.00 0.00 0.00 40.66 40.84 2eef h LEU 25 CO -0.12 -0.18 0.65 -0.78 -0.00 0.00 0.00 178.44 178.01 2eef h ASP 26 N -1.18 0.21 0.13 -0.43 1.82 -1.93 0.14 116.42 115.17 2eef h ASP 26 Ca -0.07 0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.59 2eef h ASP 26 Cb 0.55 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.55 2eef h ASP 26 CO 0.12 0.07 -0.06 0.15 -1.61 0.00 0.00 179.24 177.90 2eef h PHE 27 N 0.20 -0.16 -0.85 0.28 3.04 -0.51 -2.94 116.94 116.00 2eef h PHE 27 Ca 0.48 -0.00 0.20 0.00 3.98 0.00 0.00 57.97 62.63 2eef h PHE 27 Cb 1.56 0.05 -0.12 0.00 2.56 0.00 0.00 35.95 40.00 2eef h PHE 27 CO -0.00 -0.10 0.30 0.07 -2.02 0.00 0.00 178.31 176.56 2eef h ARG 28 N -0.47 0.32 -0.66 1.11 0.11 -0.81 0.44 114.38 114.42 2eef h ARG 28 Ca -0.02 -0.02 0.05 0.00 0.10 0.00 0.00 59.98 60.09 2eef h ARG 28 Cb 0.13 -0.07 -0.04 0.00 1.11 0.00 0.00 29.97 31.10 2eef h ARG 28 CO 0.03 0.21 0.44 -0.91 0.10 0.00 0.00 179.97 179.84 2eef h ASN 29 N 0.33 0.64 0.76 0.08 2.35 -0.86 0.95 115.58 119.84 2eef h ASN 29 Ca 0.51 -0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 56.12 2eef h ASN 29 Cb 0.96 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.17 2eef h ASN 29 CO -0.54 0.43 -0.68 0.03 -1.65 0.00 0.00 177.43 175.02 2eef h ARG 30 N 0.74 0.00 0.00 0.81 3.08 0.02 -0.37 114.38 118.65 2eef h ARG 30 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 2eef h ARG 30 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2eef h ARG 30 CO -0.08 0.68 -0.26 1.25 -1.07 0.00 0.00 179.97 180.49 2eef h LEU 31 N 0.00 0.00 0.00 3.04 5.85 0.07 0.11 115.31 124.38 2eef h LEU 31 Ca -0.01 -0.04 -0.31 0.00 0.84 0.00 0.00 57.88 58.36 2eef h LEU 31 Cb 1.25 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.22 2eef h LEU 31 CO 0.09 0.02 -2.12 1.67 -0.34 0.00 0.00 178.44 177.76 2eef n GLN 32 N -2.57 0.67 -0.07 1.25 7.27 0.19 -2.28 117.38 121.83 2eef n GLN 32 Ca 0.04 0.08 -0.11 0.00 0.07 0.00 0.00 57.00 57.08 2eef n GLN 32 Cb 0.48 -1.61 -0.15 0.00 2.41 0.00 0.00 30.24 31.37 2eef n GLN 32 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2eef n ALA 33 N -2.64 1.47 0.77 1.69 0.00 -0.16 -4.36 120.51 117.27 2eef n ALA 33 Ca -0.25 -1.12 0.08 0.00 0.00 0.00 0.00 53.44 52.15 2eef n ALA 33 Cb 1.07 -0.39 -0.09 0.00 0.00 0.00 0.00 19.45 20.04 2eef n ALA 33 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2eef n ASP 34 N -2.91 0.79 -2.27 0.00 2.03 0.38 -4.98 116.55 109.59 2eef n ASP 34 Ca -0.29 -0.90 -0.21 0.00 0.52 0.00 0.00 54.79 53.91 2eef n ASP 34 Cb 1.11 0.99 -0.02 0.00 -0.72 0.00 0.00 41.12 42.47 2eef n ASP 34 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2eef n HIS 35 N -1.36 -0.84 -3.63 -0.67 8.25 -0.97 -4.82 115.22 111.18 2eef n HIS 35 Ca 0.03 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.44 2eef n HIS 35 Cb 0.26 -3.90 -0.06 0.00 1.12 0.00 0.00 29.99 27.41 2eef n HIS 35 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2eef s VAL 36 N -3.00 0.00 -0.22 1.59 0.11 -1.23 -3.78 120.40 113.88 2eef s VAL 36 Ca 0.00 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.77 2eef s VAL 36 Cb 0.00 -1.00 0.14 0.00 -1.53 0.00 0.00 36.38 33.99 2eef s VAL 36 CO 0.00 0.00 1.09 0.00 -3.33 0.00 0.00 175.10 172.86 2eef s LEU 38 N -0.72 4.18 -0.03 0.00 2.96 -1.26 -0.20 118.68 123.62 2eef s LEU 38 Ca 0.02 0.75 -0.06 0.00 -0.22 0.00 0.00 54.13 54.62 2eef s LEU 38 Cb -0.02 -2.74 -0.03 0.00 0.50 0.00 0.00 46.19 43.90 2eef s LEU 38 CO -0.03 -0.14 0.38 -0.08 -1.32 0.00 0.00 176.35 175.16 2eef h GLU 39 N 7.25 -0.20 -3.58 1.98 4.81 -0.91 -3.38 114.58 120.56 2eef h GLU 39 Ca -0.35 0.01 -0.22 0.00 -0.13 0.00 0.00 59.36 58.67 2eef h GLU 39 Cb 1.16 0.04 -0.28 0.00 0.63 0.00 0.00 28.75 30.30 2eef h GLU 39 CO 0.75 -0.13 -0.66 0.54 -0.73 0.00 0.00 179.01 178.78 2eef s ASN 40 N -3.89 -0.05 -0.33 1.04 4.22 -1.23 -2.83 114.94 111.87 2eef s ASN 40 Ca -0.03 0.11 -0.00 0.00 -2.14 0.00 0.00 52.86 50.80 2eef s ASN 40 Cb 0.00 0.10 0.11 0.00 1.28 0.00 0.00 41.25 42.74 2eef s ASN 40 CO 0.09 -0.03 0.12 0.00 -2.04 0.00 0.00 177.10 175.24 2eef s VAL 42 N 1.42 4.03 0.02 0.00 -7.23 0.73 -4.95 120.40 114.42 2eef s VAL 42 Ca 0.11 -0.45 0.07 0.00 -1.81 0.00 0.00 61.98 59.90 2eef s VAL 42 Cb -0.18 -3.50 -0.03 0.00 0.56 0.00 0.00 36.38 33.23 2eef s VAL 42 CO -0.21 -0.36 -0.19 -0.22 -0.31 0.00 0.00 175.10 173.82 2eef s LEU 43 N -4.57 2.54 0.00 1.32 0.20 -1.26 -2.01 118.68 114.90 2eef s LEU 43 Ca 0.48 -0.41 0.05 0.00 0.69 0.00 0.00 54.13 54.94 2eef s LEU 43 Cb -0.10 -1.49 -0.02 0.00 -0.43 0.00 0.00 46.19 44.15 2eef s LEU 43 CO 0.38 0.27 0.19 0.29 -0.29 0.00 0.00 176.35 177.19 2eef n LYS 44 N 1.74 0.45 -1.63 1.98 5.02 0.20 -4.96 118.16 120.95 2eef n LYS 44 Ca -0.16 -2.74 -0.48 0.00 -2.02 0.00 0.00 58.31 52.91 2eef n LYS 44 Cb 0.52 1.95 -0.05 0.00 -0.02 0.00 0.00 35.03 37.44 2eef n LYS 44 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2eef n ASP 45 N -1.82 3.26 -3.41 4.39 5.68 -1.26 -2.14 116.55 121.25 2eef n ASP 45 Ca 0.02 0.78 -0.25 0.00 -0.50 0.00 0.00 54.79 54.83 2eef n ASP 45 Cb 0.49 -1.39 -0.05 0.00 -1.14 0.00 0.00 41.12 39.04 2eef n ASP 45 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2eef n LYS 46 N 7.24 -1.19 -3.49 0.11 4.76 -1.26 -4.80 118.16 119.53 2eef n LYS 46 Ca 0.26 0.08 -0.10 0.00 -2.87 0.00 0.00 58.31 55.68 2eef n LYS 46 Cb 0.31 -3.57 -0.03 0.00 -1.84 0.00 0.00 35.03 29.90 2eef n LYS 46 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2eef s ALA 47 N -2.44 -1.77 0.18 7.82 0.00 -0.91 0.40 121.76 125.05 2eef s ALA 47 Ca 0.49 0.95 0.03 0.00 0.00 0.00 0.00 51.96 53.43 2eef s ALA 47 Cb -0.29 0.40 -0.05 0.00 0.00 0.00 0.00 23.12 23.19 2eef s ALA 47 CO 0.60 -0.65 -0.03 0.96 0.00 0.00 0.00 175.76 176.64 2eef s ILE 48 N -2.93 0.93 -0.18 0.00 -4.36 0.37 0.61 121.20 115.64 2eef s ILE 48 Ca 0.02 -2.02 -0.16 0.00 -0.26 0.00 0.00 60.65 58.23 2eef s ILE 48 Cb -0.01 -2.09 0.05 0.00 1.25 0.00 0.00 42.46 41.66 2eef s ILE 48 CO -0.07 -0.53 0.48 0.00 0.24 0.00 0.00 174.94 175.06 2eef s ALA 49 N -3.48 -1.19 0.08 2.27 0.00 -0.85 -2.58 121.76 116.00 2eef s ALA 49 Ca 0.23 1.42 -0.26 0.00 0.00 0.00 0.00 51.96 53.34 2eef s ALA 49 Cb 0.05 -0.83 0.08 0.00 0.00 0.00 0.00 23.12 22.42 2eef s ALA 49 CO 0.04 -0.24 0.73 0.20 0.00 0.00 0.00 175.76 176.49 2eef s GLY 50 N 0.47 -0.55 -0.13 0.00 0.00 -0.96 -0.20 107.32 105.96 2eef s GLY 50 Ca -0.02 0.77 -0.01 0.00 0.00 0.00 0.00 44.72 45.46 2eef s GLY 50 CO -0.02 0.28 -0.10 -0.51 0.00 0.00 0.00 173.10 172.75 2eef s THR 51 N -3.34 3.37 0.10 0.90 -4.23 -0.42 -1.22 115.64 110.81 2eef s THR 51 Ca 0.02 -0.55 0.06 0.00 -1.18 0.00 0.00 61.69 60.04 2eef s THR 51 Cb -0.01 -2.43 -0.04 0.00 1.34 0.00 0.00 72.50 71.36 2eef s THR 51 CO -0.10 0.52 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.76 2eef s VAL 52 N 0.24 3.69 0.13 2.29 1.01 0.60 -0.17 120.40 128.18 2eef s VAL 52 Ca -0.07 -1.16 0.07 0.00 0.00 0.00 0.00 61.98 60.82 2eef s VAL 52 Cb -0.15 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 2eef s VAL 52 CO 0.04 0.10 -0.05 -0.54 0.00 0.00 0.00 175.10 174.65 2eef s LYS 53 N -2.31 2.30 -0.05 2.72 -0.14 0.72 -1.49 119.74 121.50 2eef s LYS 53 Ca 0.24 -1.02 -0.08 0.00 -1.36 0.00 0.00 55.97 53.75 2eef s LYS 53 Cb -0.11 -2.37 0.01 0.00 -1.68 0.00 0.00 37.83 33.69 2eef s LYS 53 CO 0.16 0.50 0.20 0.14 -0.76 0.00 0.00 175.35 175.58 2eef s VAL 54 N -1.42 0.03 0.02 3.17 -7.23 -1.24 -2.73 120.40 111.01 2eef s VAL 54 Ca 0.24 -0.27 -0.29 0.00 -1.81 0.00 0.00 61.98 59.86 2eef s VAL 54 Cb -0.11 -0.38 -0.04 0.00 0.56 0.00 0.00 36.38 36.42 2eef s VAL 54 CO 0.16 -0.15 0.91 -1.10 -0.31 0.00 0.00 175.10 174.62 2eef s GLN 55 N -0.52 4.57 -0.91 4.82 -1.52 -1.25 -3.99 119.66 120.86 2eef s GLN 55 Ca -0.06 1.31 -0.22 0.00 -1.95 0.00 0.00 55.36 54.44 2eef s GLN 55 Cb -0.04 -3.43 -0.13 0.00 -0.22 0.00 0.00 33.01 29.19 2eef s GLN 55 CO 0.01 0.06 1.93 -1.71 -0.25 0.00 0.00 175.29 175.33 2eef n ASN 56 N 3.52 2.77 -0.08 5.90 2.85 -1.26 -4.57 115.26 124.39 2eef n ASN 56 Ca 0.03 -2.70 -0.11 0.00 -0.11 0.00 0.00 54.58 51.69 2eef n ASN 56 Cb 0.51 -1.30 -0.07 0.00 1.24 0.00 0.00 39.78 40.15 2eef n ASN 56 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 2eef h LEU 57 N 14.57 0.00-10.36 1.20 3.38 -1.95 -3.49 115.31 118.67 2eef h LEU 57 Ca 0.38 -0.43 -0.58 0.00 0.09 0.00 0.00 57.88 57.34 2eef h LEU 57 Cb 0.74 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 2eef h LEU 57 CO 1.77 0.99 -0.30 0.00 0.09 0.00 0.00 178.44 180.99 2eef s ALA 58 N -2.44 4.44 -0.01 1.53 0.00 -1.26 -5.05 121.76 118.98 2eef s ALA 58 Ca -0.17 -1.25 -0.16 0.00 0.00 0.00 0.00 51.96 50.38 2eef s ALA 58 Cb 0.01 -0.73 -0.09 0.00 0.00 0.00 0.00 23.12 22.31 2eef s ALA 58 CO 0.41 -0.45 0.79 0.74 0.00 0.00 0.00 175.76 177.25 2eef h PHE 59 N 0.74 -0.52 -3.49 0.00 0.04 -1.99 -3.46 116.94 108.26 2eef h PHE 59 Ca -0.37 -0.01 -0.47 0.00 2.80 0.00 0.00 57.97 59.92 2eef h PHE 59 Cb 1.30 0.17 0.06 0.00 2.20 0.00 0.00 35.95 39.68 2eef h PHE 59 CO 0.98 -0.32 0.14 -1.21 -0.60 0.00 0.00 178.31 177.30 2eef s GLU 60 N -3.52 2.77 -0.02 1.51 0.41 -1.26 -5.11 118.70 113.48 2eef s GLU 60 Ca -0.08 -0.17 -0.10 0.00 -0.41 0.00 0.00 54.97 54.22 2eef s GLU 60 Cb 0.01 -2.30 0.01 0.00 -1.78 0.00 0.00 34.13 30.07 2eef s GLU 60 CO 0.25 -0.76 0.20 0.15 -0.49 0.00 0.00 175.26 174.61 2eef s LYS 61 N -4.98 0.51 -0.37 1.61 1.02 -1.26 -4.87 119.74 111.39 2eef s LYS 61 Ca 0.55 -0.23 0.01 0.00 0.02 0.00 0.00 55.97 56.31 2eef s LYS 61 Cb -0.10 0.22 0.12 0.00 -0.52 0.00 0.00 37.83 37.54 2eef s LYS 61 CO 0.44 -0.12 0.16 0.99 -0.92 0.00 0.00 175.35 175.90 2eef s THR 62 N -1.15 1.18 -0.21 2.17 2.01 -1.12 -5.04 115.64 113.48 2eef s THR 62 Ca -0.12 -2.00 -0.08 0.00 0.31 0.00 0.00 61.69 59.79 2eef s THR 62 Cb -0.06 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 70.56 2eef s THR 62 CO 0.02 -0.79 0.08 -0.69 -0.69 0.00 0.00 174.62 172.56 2eef s VAL 63 N 0.97 4.79 -0.11 3.82 1.01 -1.26 -1.62 120.40 127.99 2eef s VAL 63 Ca 0.14 -0.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.99 2eef s VAL 63 Cb -0.21 -3.19 0.03 0.00 0.00 0.00 0.00 36.38 33.01 2eef s VAL 63 CO -0.11 0.41 0.30 -0.54 0.00 0.00 0.00 175.10 175.16 2eef s LYS 64 N 0.81 0.34 -0.24 2.72 1.02 -0.90 -2.80 119.74 120.69 2eef s LYS 64 Ca 0.04 0.44 -0.18 0.00 0.02 0.00 0.00 55.97 56.30 2eef s LYS 64 Cb -0.13 0.14 -0.03 0.00 -0.52 0.00 0.00 37.83 37.29 2eef s LYS 64 CO 0.02 -0.06 0.50 0.42 -0.92 0.00 0.00 175.35 175.31 2eef s ILE 65 N 0.30 5.10 -0.61 2.17 -1.09 -1.01 -1.81 121.20 124.25 2eef s ILE 65 Ca -0.01 0.87 -0.13 0.00 -2.23 0.00 0.00 60.65 59.15 2eef s ILE 65 Cb -0.03 -3.82 0.15 0.00 -1.58 0.00 0.00 42.46 37.19 2eef s ILE 65 CO -0.01 0.13 0.53 -0.60 -1.23 0.00 0.00 174.94 173.77 2eef s ARG 66 N 1.99 3.00 -0.03 2.79 6.06 -1.12 -2.74 118.95 128.92 2eef s ARG 66 Ca 0.22 -1.98 0.06 0.00 -2.50 0.00 0.00 55.73 51.52 2eef s ARG 66 Cb -0.15 -4.21 -0.02 0.00 0.06 0.00 0.00 34.95 30.62 2eef s ARG 66 CO 0.09 -1.28 -0.19 1.41 -2.50 0.00 0.00 175.30 172.84 2eef s MET 67 N 1.04 2.31 0.32 5.12 -2.45 -1.26 -1.67 119.30 122.72 2eef s MET 67 Ca 0.09 -0.81 0.10 0.00 -1.25 0.00 0.00 55.69 53.82 2eef s MET 67 Cb -0.23 -2.24 -0.06 0.00 1.25 0.00 0.00 34.83 33.55 2eef s MET 67 CO -0.02 0.59 -0.12 -0.08 1.05 0.00 0.00 175.02 176.44 2eef s THR 68 N -0.72 2.37 0.00 10.11 -1.32 -0.61 -3.35 115.64 122.11 2eef s THR 68 Ca 0.11 -2.25 0.00 0.00 -1.21 0.00 0.00 61.69 58.34 2eef s THR 68 Cb -0.10 -2.55 0.00 0.00 -1.51 0.00 0.00 72.50 68.34 2eef s THR 68 CO 0.01 -0.27 0.63 0.49 -2.21 0.00 0.00 174.62 173.27 2eef n PHE 69 N -0.75 0.00 -3.35 9.09 3.01 -1.25 -3.34 117.46 120.87 2eef n PHE 69 Ca -0.05 -0.15 -0.26 0.00 1.01 0.00 0.00 57.45 58.01 2eef n PHE 69 Cb 0.62 -0.01 -0.08 0.00 -0.01 0.00 0.00 39.48 39.99 2eef n PHE 69 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2eef n ASP 70 N -0.15 1.17 -3.68 4.37 9.92 -1.25 -4.62 116.55 122.32 2eef n ASP 70 Ca 0.00 -2.86 -0.25 0.00 -0.53 0.00 0.00 54.79 51.15 2eef n ASP 70 Cb 0.41 -0.64 -0.06 0.00 -0.64 0.00 0.00 41.12 40.19 2eef n ASP 70 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2eef n THR 71 N 1.60 -0.36 -3.21 -3.53 -1.04 -1.22 0.18 114.28 106.71 2eef n THR 71 Ca 0.25 -0.18 -0.15 0.00 -2.04 0.00 0.00 64.05 61.93 2eef n THR 71 Cb 0.47 -0.52 0.07 0.00 -1.82 0.00 0.00 70.33 68.54 2eef n THR 71 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 2eef n TRP 72 N -3.22 -1.88 0.00 -1.42 7.02 -1.26 -4.94 117.44 111.75 2eef n TRP 72 Ca -0.08 0.79 0.00 0.00 -1.02 0.00 0.00 57.50 57.19 2eef n TRP 72 Cb 0.40 -4.57 0.00 0.00 -2.42 0.00 0.00 31.31 24.72 2eef n TRP 72 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2eef n LYS 73 N -3.67 1.88 -3.74 -0.99 5.02 0.49 -4.94 118.16 112.21 2eef n LYS 73 Ca -0.22 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.77 2eef n LYS 73 Cb 0.63 -1.00 -0.13 0.00 -0.02 0.00 0.00 35.03 34.51 2eef n LYS 73 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2eef s SER 74 N -3.51 3.81 0.13 4.39 0.15 -1.26 -5.02 113.70 112.38 2eef s SER 74 Ca 0.00 -2.46 0.03 0.00 0.70 0.00 0.00 55.95 54.23 2eef s SER 74 Cb 0.00 -1.07 -0.04 0.00 -1.71 0.00 0.00 66.02 63.20 2eef s SER 74 CO 0.00 -0.30 0.15 -0.72 1.20 0.00 0.00 173.24 173.58 2eef s TYR 75 N 0.56 3.26 -0.05 3.44 -0.85 -1.26 -3.82 117.35 118.63 2eef s TYR 75 Ca 0.16 0.06 0.01 0.00 -0.52 0.00 0.00 57.07 56.78 2eef s TYR 75 Cb -0.23 -1.60 0.02 0.00 0.38 0.00 0.00 41.96 40.54 2eef s TYR 75 CO -0.04 0.53 -0.03 0.99 -1.52 0.00 0.00 175.55 175.47 2eef s THR 76 N -1.62 0.48 -0.51 -3.49 2.01 -1.21 -5.04 115.64 106.26 2eef s THR 76 Ca 0.31 -0.07 -0.29 0.00 0.31 0.00 0.00 61.69 61.96 2eef s THR 76 Cb -0.11 -0.53 0.03 0.00 0.01 0.00 0.00 72.50 71.90 2eef s THR 76 CO 0.24 0.22 1.18 1.51 -0.69 0.00 0.00 174.62 177.08 2eef s ASP 77 N 1.06 6.55 -0.20 3.53 -4.77 -1.26 -4.07 116.67 117.51 2eef s ASP 77 Ca -0.09 0.37 -0.13 0.00 -3.30 0.00 0.00 52.55 49.39 2eef s ASP 77 Cb -0.14 -2.55 -0.05 0.00 -1.09 0.00 0.00 42.92 39.09 2eef s ASP 77 CO -0.01 -1.35 0.28 -0.36 0.70 0.00 0.00 175.17 174.43 2eef s PHE 78 N 4.71 3.39 0.13 2.11 0.08 -1.11 -4.97 117.98 122.31 2eef s PHE 78 Ca 0.47 0.49 -0.31 0.00 0.12 0.00 0.00 56.93 57.70 2eef s PHE 78 Cb -0.08 -2.37 -0.08 0.00 -0.57 0.00 0.00 43.02 39.93 2eef s PHE 78 CO 0.30 0.12 1.35 -1.25 -0.10 0.00 0.00 175.22 175.63 2eef s PRO 79 N 0.89 4.35 0.89 0.24 0.04 -1.26 -2.40 135.00 137.74 2eef s PRO 79 Ca 0.14 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 63.11 2eef s PRO 79 Cb -0.13 -3.25 0.18 0.00 0.04 0.00 0.00 34.50 31.34 2eef s PRO 79 CO 0.05 -0.38 1.22 0.00 0.04 0.00 0.00 177.00 177.93 2eef s GLN 81 N -5.64 2.15 -0.17 0.00 -0.21 0.69 -4.99 119.66 111.49 2eef s GLN 81 Ca 0.72 -2.37 -0.04 0.00 0.02 0.00 0.00 55.36 53.69 2eef s GLN 81 Cb -0.04 -1.30 -0.03 0.00 1.00 0.00 0.00 33.01 32.65 2eef s GLN 81 CO 0.50 -0.41 -0.02 -0.47 -2.12 0.00 0.00 175.29 172.77 2eef s TYR 82 N -2.96 3.03 -0.20 0.91 6.14 -1.26 -2.24 117.35 120.77 2eef s TYR 82 Ca 0.09 -0.36 -0.27 0.00 0.64 0.00 0.00 57.07 57.16 2eef s TYR 82 Cb 0.01 -2.01 -0.00 0.00 0.42 0.00 0.00 41.96 40.39 2eef s TYR 82 CO 0.05 -0.12 0.95 0.08 0.64 0.00 0.00 175.55 177.15 2eef s VAL 83 N 0.61 4.77 -0.35 3.14 1.01 -0.57 -4.80 120.40 124.21 2eef s VAL 83 Ca -0.02 1.86 0.03 0.00 0.00 0.00 0.00 61.98 63.84 2eef s VAL 83 Cb -0.14 -4.24 0.10 0.00 0.00 0.00 0.00 36.38 32.10 2eef s VAL 83 CO 0.02 -0.08 0.07 -0.75 0.00 0.00 0.00 175.10 174.36 2eef s LYS 84 N 2.70 1.64 0.12 2.72 2.20 -1.26 -4.76 119.74 123.10 2eef s LYS 84 Ca 0.42 -1.82 -0.25 0.00 -0.36 0.00 0.00 55.97 53.95 2eef s LYS 84 Cb -0.16 -3.25 0.07 0.00 -1.51 0.00 0.00 37.83 32.98 2eef s LYS 84 CO 0.10 -0.93 0.84 0.34 -0.36 0.00 0.00 175.35 175.33 2eef s ASP 85 N 1.08 -0.32 0.28 1.43 2.15 -1.26 -5.03 116.67 115.01 2eef s ASP 85 Ca 0.09 -0.23 0.03 0.00 0.43 0.00 0.00 52.55 52.86 2eef s ASP 85 Cb -0.20 0.51 0.69 0.00 -0.30 0.00 0.00 42.92 43.62 2eef s ASP 85 CO -0.07 -0.89 1.71 0.74 -0.17 0.00 0.00 175.17 176.49 2eef h THR 86 N 2.00 0.52 -0.51 1.71 2.02 -2.04 -0.09 112.91 116.52 2eef h THR 86 Ca -0.24 -0.15 0.10 0.00 0.77 0.00 0.00 66.41 66.88 2eef h THR 86 Cb 1.25 0.05 -0.08 0.00 -1.74 0.00 0.00 68.15 67.62 2eef h THR 86 CO 0.29 0.08 0.03 1.88 0.37 0.00 0.00 175.52 178.17 2eef h TYR 87 N 0.44 0.02 0.00 3.16 0.05 -1.99 -3.42 116.97 115.23 2eef h TYR 87 Ca 0.54 0.04 -0.60 0.00 0.05 0.00 0.00 58.73 58.76 2eef h TYR 87 Cb 0.98 0.07 -0.04 0.00 1.01 0.00 0.00 36.73 38.76 2eef h TYR 87 CO -0.13 -0.09 1.08 0.00 -1.05 0.00 0.00 178.16 177.97 2eef n ALA 88 N -2.64 0.18 -1.39 3.88 0.00 -0.05 -4.86 120.51 115.63 2eef n ALA 88 Ca 0.06 0.12 -0.30 0.00 0.00 0.00 0.00 53.44 53.32 2eef n ALA 88 Cb 0.27 -1.67 0.10 0.00 0.00 0.00 0.00 19.45 18.15 2eef n ALA 88 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2eef s GLY 89 N 4.99 1.64 -0.05 0.00 0.00 -1.26 -4.94 107.32 107.70 2eef s GLY 89 Ca 0.97 -0.00 -0.02 0.00 0.00 0.00 0.00 44.72 45.66 2eef s GLY 89 CO 0.52 0.40 0.15 1.76 0.00 0.00 0.00 173.10 175.93 2eef h SER 90 N -1.16 -0.07 -0.02 1.64 0.02 -1.96 -3.40 113.55 108.60 2eef h SER 90 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2eef h SER 90 Cb 1.25 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.81 2eef h SER 90 CO 0.56 0.20 -0.02 0.44 -1.14 0.00 0.00 176.83 176.87 2eef h ASP 91 N -0.60 -0.08 -4.78 3.07 3.32 -2.02 -3.43 116.42 111.91 2eef h ASP 91 Ca -0.01 0.01 -0.28 0.00 0.02 0.00 0.00 57.03 56.78 2eef h ASP 91 Cb 0.07 0.03 0.04 0.00 0.22 0.00 0.00 39.33 39.69 2eef h ASP 91 CO 0.01 -0.01 0.05 -2.11 -1.72 0.00 0.00 179.24 175.46 2eef n ARG 92 N -2.90 0.30 -4.27 3.56 1.85 -1.26 -4.68 116.66 109.25 2eef n ARG 92 Ca -0.00 -1.65 -0.18 0.00 -1.00 0.00 0.00 57.85 55.02 2eef n ARG 92 Cb 0.01 -0.34 -0.08 0.00 -1.05 0.00 0.00 32.46 30.99 2eef n ARG 92 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2eef s ASP 93 N -3.35 1.43 -0.01 2.89 1.01 -1.26 -4.27 116.67 113.11 2eef s ASP 93 Ca 0.38 -1.70 0.00 0.00 0.71 0.00 0.00 52.55 51.95 2eef s ASP 93 Cb -0.02 0.53 0.01 0.00 1.01 0.00 0.00 42.92 44.45 2eef s ASP 93 CO 0.25 -1.03 0.01 -0.89 0.21 0.00 0.00 175.17 173.71 2eef s THR 94 N -3.55 0.00 -0.09 -1.27 2.01 -1.26 -3.71 115.64 107.78 2eef s THR 94 Ca 0.40 0.05 0.04 0.00 0.31 0.00 0.00 61.69 62.49 2eef s THR 94 Cb 0.03 -0.04 0.00 0.00 0.01 0.00 0.00 72.50 72.50 2eef s THR 94 CO 0.25 0.03 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.64 2eef s PHE 95 N 0.26 2.21 0.39 4.92 0.40 -0.55 -1.51 117.98 124.10 2eef s PHE 95 Ca -0.02 -0.87 0.02 0.00 -0.60 0.00 0.00 56.93 55.46 2eef s PHE 95 Cb -0.03 -1.50 -0.01 0.00 0.51 0.00 0.00 43.02 41.98 2eef s PHE 95 CO -0.01 -0.36 0.58 0.45 0.70 0.00 0.00 175.22 176.58 2eef s SER 96 N 0.38 5.99 -0.07 1.36 0.15 -0.95 -0.30 113.70 120.28 2eef s SER 96 Ca -0.16 0.20 -0.05 0.00 0.70 0.00 0.00 55.95 56.63 2eef s SER 96 Cb -0.17 -1.59 0.02 0.00 -1.71 0.00 0.00 66.02 62.57 2eef s SER 96 CO 0.07 -0.51 0.17 0.72 1.20 0.00 0.00 173.24 174.89 2eef s PHE 97 N -2.38 -0.19 -0.35 3.44 -0.12 -0.36 -0.22 117.98 117.80 2eef s PHE 97 Ca 0.45 0.48 -0.00 0.00 -0.05 0.00 0.00 56.93 57.80 2eef s PHE 97 Cb -0.10 0.05 0.12 0.00 -0.63 0.00 0.00 43.02 42.46 2eef s PHE 97 CO 0.35 -0.11 0.16 -0.51 -0.05 0.00 0.00 175.22 175.07 2eef s ASP 98 N 0.28 3.66 -0.07 1.98 1.11 -1.26 -2.25 116.67 120.12 2eef s ASP 98 Ca -0.02 -2.00 -0.10 0.00 0.18 0.00 0.00 52.55 50.62 2eef s ASP 98 Cb -0.03 -0.77 -0.05 0.00 1.07 0.00 0.00 42.92 43.15 2eef s ASP 98 CO -0.01 -0.35 0.24 -0.63 1.18 0.00 0.00 175.17 175.60 2eef s ILE 99 N 1.19 5.32 -0.28 0.77 1.01 -1.07 -4.93 121.20 123.21 2eef s ILE 99 Ca 0.14 0.44 -0.13 0.00 0.00 0.00 0.00 60.65 61.09 2eef s ILE 99 Cb -0.20 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 2eef s ILE 99 CO -0.14 0.59 0.28 -0.94 0.00 0.00 0.00 174.94 174.73 2eef s SER 100 N -1.08 6.13 0.77 3.58 1.04 -1.26 -0.48 113.70 122.40 2eef s SER 100 Ca 0.19 0.08 -0.14 0.00 0.48 0.00 0.00 55.95 56.55 2eef s SER 100 Cb -0.14 -2.16 0.06 0.00 0.10 0.00 0.00 66.02 63.88 2eef s SER 100 CO 0.08 -0.13 1.22 -0.76 0.98 0.00 0.00 173.24 174.63 2eef s LEU 101 N 1.90 3.23 0.96 2.42 1.43 0.16 -4.90 118.68 123.88 2eef s LEU 101 Ca 0.11 2.40 -0.12 0.00 -1.03 0.00 0.00 54.13 55.48 2eef s LEU 101 Cb -0.16 -4.59 0.17 0.00 0.03 0.00 0.00 46.19 41.63 2eef s LEU 101 CO 0.11 -2.51 1.09 -2.16 0.23 0.00 0.00 176.35 173.11 2eef s PRO 102 N -4.00 0.75 0.16 1.29 0.04 -1.26 -4.80 135.00 127.18 2eef s PRO 102 Ca 0.75 0.63 -0.16 0.00 0.04 0.00 0.00 61.00 62.25 2eef s PRO 102 Cb -0.30 -1.76 0.12 0.00 0.04 0.00 0.00 34.50 32.60 2eef s PRO 102 CO 0.48 -2.54 1.20 -0.85 0.04 0.00 0.00 177.00 175.33 2eef n GLU 103 N -4.06 -0.22 -3.97 4.56 0.28 -1.26 -4.67 120.64 111.30 2eef n GLU 103 Ca 0.06 1.19 -0.10 0.00 -0.16 0.00 0.00 57.16 58.15 2eef n GLU 103 Cb 0.56 -1.76 -0.06 0.00 1.43 0.00 0.00 31.44 31.61 2eef n GLU 103 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2eef s LYS 104 N -5.64 1.30 -0.21 3.44 -0.14 -1.26 -5.08 119.74 112.15 2eef s LYS 104 Ca -0.10 -1.20 -0.06 0.00 -1.36 0.00 0.00 55.97 53.25 2eef s LYS 104 Cb 0.14 0.41 0.10 0.00 -1.68 0.00 0.00 37.83 36.80 2eef s LYS 104 CO 0.53 -0.51 0.41 0.42 -0.76 0.00 0.00 175.35 175.45 2eef s ILE 105 N -3.99 -0.65 0.25 2.17 1.01 -1.26 -5.16 121.20 113.57 2eef s ILE 105 Ca 0.20 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.96 2eef s ILE 105 Cb 0.02 -0.71 -0.00 0.00 0.01 0.00 0.00 42.46 41.78 2eef s ILE 105 CO 0.03 0.02 0.01 0.00 0.00 0.00 0.00 174.94 175.00 2eef n GLN 106 N 5.39 1.32 -1.44 2.79 6.02 -1.26 -5.01 117.38 125.18 2eef n GLN 106 Ca -0.07 -1.83 -0.29 0.00 -0.01 0.00 0.00 57.00 54.79 2eef n GLN 106 Cb 0.50 0.54 -0.07 0.00 1.02 0.00 0.00 30.24 32.23 2eef n GLN 106 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2eef n SER 107 N -1.23 7.16 0.00 1.08 2.88 -1.26 -3.92 113.62 118.33 2eef n SER 107 Ca -0.10 -2.83 0.00 0.00 -1.33 0.00 0.00 58.87 54.62 2eef n SER 107 Cb 0.32 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.38 2eef n SER 107 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2eef n TYR 108 N 2.24 0.00 -4.15 0.66 0.18 -1.26 -5.07 117.16 109.76 2eef n TYR 108 Ca 0.59 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 60.25 2eef n TYR 108 Cb 0.49 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.34 2eef n TYR 108 CO 0.00 0.00 0.00 -2.00 -2.08 0.00 0.00 176.86 172.78 2eef s GLU 109 N -1.99 0.76 0.14 -3.48 2.56 -1.25 -5.08 118.70 110.36 2eef s GLU 109 Ca 0.00 -1.17 -0.25 0.00 0.00 0.00 0.00 54.97 53.55 2eef s GLU 109 Cb 0.00 -0.27 -0.07 0.00 2.00 0.00 0.00 34.13 35.78 2eef s GLU 109 CO 0.00 0.01 0.75 0.50 -0.56 0.00 0.00 175.26 175.96 2eef s ARG 110 N -3.16 4.52 -0.19 4.30 6.06 -1.26 -4.93 118.95 124.29 2eef s ARG 110 Ca 0.06 1.10 -0.02 0.00 -2.50 0.00 0.00 55.73 54.37 2eef s ARG 110 Cb 0.01 -3.28 0.06 0.00 0.06 0.00 0.00 34.95 31.80 2eef s ARG 110 CO -0.03 0.53 0.00 1.41 -2.50 0.00 0.00 175.30 174.72 2eef s MET 111 N -0.97 0.96 0.17 5.12 -2.45 -1.26 -3.38 119.30 117.49 2eef s MET 111 Ca 0.35 -0.52 -0.01 0.00 -1.25 0.00 0.00 55.69 54.27 2eef s MET 111 Cb -0.22 -2.13 -0.04 0.00 1.25 0.00 0.00 34.83 33.69 2eef s MET 111 CO 0.25 -0.58 0.10 -1.21 1.05 0.00 0.00 175.02 174.62 2eef s GLU 112 N 1.74 1.09 -0.00 4.11 0.41 -1.21 -2.97 118.70 121.87 2eef s GLU 112 Ca -0.01 -1.55 -0.12 0.00 -0.41 0.00 0.00 54.97 52.88 2eef s GLU 112 Cb -0.17 0.24 0.01 0.00 -1.78 0.00 0.00 34.13 32.43 2eef s GLU 112 CO -0.07 -0.33 0.24 -0.59 -0.49 0.00 0.00 175.26 174.02 2eef s PHE 113 N -4.10 -0.08 -0.03 1.61 -0.12 -1.25 -1.57 117.98 112.45 2eef s PHE 113 Ca 0.32 0.07 -0.01 0.00 -0.05 0.00 0.00 56.93 57.26 2eef s PHE 113 Cb 0.07 0.04 0.03 0.00 -0.63 0.00 0.00 43.02 42.53 2eef s PHE 113 CO 0.08 -0.36 0.04 0.00 -0.05 0.00 0.00 175.22 174.92 2eef s ALA 114 N -1.51 0.15 0.26 1.99 0.00 -0.67 -3.69 121.76 118.29 2eef s ALA 114 Ca -0.13 0.25 -0.31 0.00 0.00 0.00 0.00 51.96 51.78 2eef s ALA 114 Cb -0.06 -0.38 -0.11 0.00 0.00 0.00 0.00 23.12 22.57 2eef s ALA 114 CO 0.02 -0.24 1.62 0.08 0.00 0.00 0.00 175.76 177.24 2eef s VAL 115 N 1.45 2.12 -0.37 0.00 1.01 -0.90 -2.78 120.40 120.92 2eef s VAL 115 Ca -0.04 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.06 2eef s VAL 115 Cb -0.13 -3.06 0.11 0.00 0.00 0.00 0.00 36.38 33.30 2eef s VAL 115 CO -0.03 0.01 0.11 -0.47 0.00 0.00 0.00 175.10 174.72 2eef s TYR 116 N 0.34 3.06 -0.30 5.22 5.04 -0.75 -2.00 117.35 127.97 2eef s TYR 116 Ca 0.66 -2.71 -0.08 0.00 -2.44 0.00 0.00 57.07 52.51 2eef s TYR 116 Cb -0.48 -2.55 0.00 0.00 0.35 0.00 0.00 41.96 39.28 2eef s TYR 116 CO 0.43 -0.89 0.10 -0.47 -1.34 0.00 0.00 175.55 173.38 2eef s TYR 117 N 0.82 3.15 -0.13 4.97 5.04 -0.72 -2.12 117.35 128.36 2eef s TYR 117 Ca 0.12 -0.84 -0.06 0.00 -2.44 0.00 0.00 57.07 53.85 2eef s TYR 117 Cb -0.20 -2.28 -0.04 0.00 0.35 0.00 0.00 41.96 39.79 2eef s TYR 117 CO -0.10 -0.53 0.09 -2.00 -1.34 0.00 0.00 175.55 171.67 2eef s GLU 118 N 1.53 3.45 -0.25 4.97 -6.30 -0.64 -1.39 118.70 120.08 2eef s GLU 118 Ca 0.03 -0.23 -0.27 0.00 -2.50 0.00 0.00 54.97 52.00 2eef s GLU 118 Cb -0.17 -3.11 0.16 0.00 0.00 0.00 0.00 34.13 31.00 2eef s GLU 118 CO 0.03 0.66 1.19 0.00 0.02 0.00 0.00 175.26 177.16 2eef n ASN 120 N 1.25 -4.68 -1.54 0.00 3.02 -1.26 -0.27 115.26 111.79 2eef n ASN 120 Ca -0.09 -0.39 -0.15 0.00 -0.03 0.00 0.00 54.58 53.92 2eef n ASN 120 Cb 0.57 -3.81 -0.03 0.00 -0.61 0.00 0.00 39.78 35.90 2eef n ASN 120 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2eef n GLY 121 N -1.35 0.42 3.37 7.41 0.00 -1.26 -5.00 105.19 108.78 2eef n GLY 121 Ca -0.04 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 2eef n GLY 121 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2eef s GLN 122 N -4.22 1.38 -0.23 1.61 -0.21 0.63 -5.13 119.66 113.50 2eef s GLN 122 Ca 0.00 -1.47 0.01 0.00 0.02 0.00 0.00 55.36 53.93 2eef s GLN 122 Cb 0.00 -1.52 0.05 0.00 1.00 0.00 0.00 33.01 32.54 2eef s GLN 122 CO 0.00 0.31 -0.09 0.99 -2.12 0.00 0.00 175.29 174.38 2eef s THR 123 N -1.96 1.77 -0.25 -0.19 2.01 -1.26 -1.67 115.64 114.09 2eef s THR 123 Ca 0.18 -1.24 -0.10 0.00 0.31 0.00 0.00 61.69 60.84 2eef s THR 123 Cb -0.06 -1.90 -0.05 0.00 0.01 0.00 0.00 72.50 70.50 2eef s THR 123 CO 0.08 0.04 0.16 -0.31 -0.69 0.00 0.00 174.62 173.90 2eef s TYR 124 N 1.31 3.27 -0.26 4.92 2.02 -0.48 -4.98 117.35 123.16 2eef s TYR 124 Ca -0.05 0.15 -0.00 0.00 -0.37 0.00 0.00 57.07 56.80 2eef s TYR 124 Cb -0.18 -2.28 0.04 0.00 -0.40 0.00 0.00 41.96 39.14 2eef s TYR 124 CO -0.07 -0.01 -0.07 -1.58 -1.57 0.00 0.00 175.55 172.25 2eef s TRP 125 N 1.21 3.13 -0.36 2.71 0.52 -1.26 -1.75 118.94 123.15 2eef s TRP 125 Ca 0.07 -1.80 -0.09 0.00 0.02 0.00 0.00 56.10 54.30 2eef s TRP 125 Cb -0.14 -2.03 0.03 0.00 -1.15 0.00 0.00 33.47 30.17 2eef s TRP 125 CO 0.06 -0.79 0.17 0.34 0.02 0.00 0.00 176.95 176.75 2eef s ASP 126 N 1.26 5.58 -0.36 2.95 -1.08 -0.85 -4.95 116.67 119.22 2eef s ASP 126 Ca -0.03 -0.97 0.00 0.00 -0.52 0.00 0.00 52.55 51.04 2eef s ASP 126 Cb -0.18 -1.98 0.12 0.00 -1.46 0.00 0.00 42.92 39.43 2eef s ASP 126 CO -0.04 -0.34 0.16 -0.94 0.52 0.00 0.00 175.17 174.53 2eef s SER 127 N 1.52 3.73 -0.50 -0.34 1.04 -1.26 -2.13 113.70 115.77 2eef s SER 127 Ca 0.01 -2.05 -0.06 0.00 0.48 0.00 0.00 55.95 54.33 2eef s SER 127 Cb -0.19 -0.84 0.06 0.00 0.10 0.00 0.00 66.02 65.15 2eef s SER 127 CO 0.05 -0.35 0.16 0.59 0.98 0.00 0.00 173.24 174.67 2eef n ASN 128 N 4.29 -1.12 -2.92 7.02 3.02 -1.26 -0.64 115.26 123.65 2eef n ASN 128 Ca 0.04 -0.01 -0.18 0.00 -0.03 0.00 0.00 54.58 54.39 2eef n ASN 128 Cb 0.39 -1.06 -0.03 0.00 -0.61 0.00 0.00 39.78 38.47 2eef n ASN 128 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2eef n ARG 129 N -2.67 -1.38 0.00 3.52 5.12 -1.26 -4.21 116.66 115.78 2eef n ARG 129 Ca 0.03 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 2eef n ARG 129 Cb 0.44 -3.13 0.00 0.00 -1.16 0.00 0.00 32.46 28.61 2eef n ARG 129 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2eef n GLY 130 N -0.68 -1.14 0.00 -0.13 0.00 0.19 -5.08 105.19 98.34 2eef n GLY 130 Ca 0.05 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.67 2eef n GLY 130 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2eef n LYS 131 N 0.00 0.00 -3.61 1.61 4.76 -1.25 -5.00 118.16 114.67 2eef n LYS 131 Ca 0.00 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 2eef n LYS 131 Cb 0.00 -0.37 -0.01 0.00 -1.84 0.00 0.00 35.03 32.81 2eef n LYS 131 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2eef s ASN 132 N -2.08 -0.07 -0.95 4.39 2.20 -1.26 -4.83 114.94 112.35 2eef s ASN 132 Ca 0.00 -0.09 -0.24 0.00 -0.94 0.00 0.00 52.86 51.59 2eef s ASN 132 Cb 0.00 0.14 0.01 0.00 -2.00 0.00 0.00 41.25 39.40 2eef s ASN 132 CO 0.00 -0.25 1.64 -0.31 -2.94 0.00 0.00 177.10 175.23 2eef s TYR 133 N -2.38 2.22 -0.03 1.54 2.02 -1.24 -4.65 117.35 114.83 2eef s TYR 133 Ca 0.13 -0.20 -0.30 0.00 -0.37 0.00 0.00 57.07 56.33 2eef s TYR 133 Cb 0.04 -4.43 -0.05 0.00 -0.40 0.00 0.00 41.96 37.11 2eef s TYR 133 CO -0.04 -1.89 1.39 0.50 -1.57 0.00 0.00 175.55 173.94 2eef s ARG 134 N 5.84 4.27 -0.25 -0.62 3.52 -1.26 -3.77 118.95 126.68 2eef s ARG 134 Ca 0.55 1.93 -0.03 0.00 -0.13 0.00 0.00 55.73 58.05 2eef s ARG 134 Cb -0.03 -3.63 0.01 0.00 -1.56 0.00 0.00 34.95 29.74 2eef s ARG 134 CO -0.04 -0.60 -0.02 0.42 -0.81 0.00 0.00 175.30 174.24 2eef s ILE 135 N 2.65 3.26 0.48 4.11 1.01 -1.16 -3.02 121.20 128.54 2eef s ILE 135 Ca 0.63 -0.80 0.04 0.00 0.00 0.00 0.00 60.65 60.52 2eef s ILE 135 Cb -0.30 -2.61 -0.02 0.00 0.01 0.00 0.00 42.46 39.53 2eef s ILE 135 CO 0.25 0.23 0.09 0.27 0.00 0.00 0.00 174.94 175.78 2eef s ILE 136 N 1.41 1.56 0.62 2.92 -4.36 -1.04 -4.76 121.20 117.55 2eef s ILE 136 Ca 0.02 -1.88 -0.04 0.00 -0.26 0.00 0.00 60.65 58.49 2eef s ILE 136 Cb -0.16 -2.44 0.04 0.00 1.25 0.00 0.00 42.46 41.15 2eef s ILE 136 CO -0.03 0.00 0.91 -0.60 0.24 0.00 0.00 174.94 175.46 2eef s ARG 137 N -3.91 2.50 0.36 0.37 3.52 -1.26 -0.67 118.95 119.85 2eef s ARG 137 Ca 0.21 -0.34 0.19 0.00 -0.13 0.00 0.00 55.73 55.65 2eef s ARG 137 Cb 0.03 -2.30 0.46 0.00 -1.56 0.00 0.00 34.95 31.58 2eef s ARG 137 CO 0.11 -0.92 1.62 0.00 -0.81 0.00 0.00 175.30 175.30 2eef h ALA 138 N -0.27 0.85 0.00 6.12 0.00 -1.60 -3.07 119.26 121.29 2eef h ALA 138 Ca -0.44 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.07 2eef h ALA 138 Cb 1.29 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2eef h ALA 138 CO 0.58 0.46 -0.36 1.05 0.00 0.00 0.00 179.25 180.98 2eef h GLU 139 N 0.00 0.00 -0.02 0.00 4.11 -1.94 -3.27 114.58 113.46 2eef h GLU 139 Ca -0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.19 2eef h GLU 139 Cb 1.08 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.34 2eef h GLU 139 CO 0.05 0.30 -0.94 -0.07 0.07 0.00 0.00 179.01 178.41 2eef h LEU 140 N 0.00 0.68 -9.90 3.06 3.38 -1.93 -3.45 115.31 107.16 2eef h LEU 140 Ca -0.01 -0.53 -0.50 0.00 0.09 0.00 0.00 57.88 56.93 2eef h LEU 140 Cb 1.24 -0.21 0.04 0.00 0.09 0.00 0.00 40.66 41.82 2eef h LEU 140 CO 0.04 1.33 0.49 -0.75 0.09 0.00 0.00 178.44 179.63 2eef s LYS 141 N -3.36 4.27 0.38 1.13 2.47 -1.20 -5.04 119.74 118.39 2eef s LYS 141 Ca -0.07 1.79 0.05 0.00 -1.56 0.00 0.00 55.97 56.18 2eef s LYS 141 Cb 0.08 -2.83 -0.07 0.00 -1.46 0.00 0.00 37.83 33.56 2eef s LYS 141 CO 0.89 -0.12 0.04 -1.12 0.16 0.00 0.00 175.35 175.19 2eef s SER 142 N -1.10 3.17 0.38 1.43 0.01 -1.26 -4.98 113.70 111.35 2eef s SER 142 Ca 0.53 -1.40 -0.26 0.00 1.31 0.00 0.00 55.95 56.13 2eef s SER 142 Cb -0.30 -0.18 -0.11 0.00 0.21 0.00 0.00 66.02 65.64 2eef s SER 142 CO 0.38 -0.56 1.20 1.07 0.41 0.00 0.00 173.24 175.75 2eef n THR 143 N -0.85 2.30 -1.72 1.44 5.66 -1.26 -4.97 114.28 114.87 2eef n THR 143 Ca -0.04 -0.50 -0.31 0.00 -3.05 0.00 0.00 64.05 60.15 2eef n THR 143 Cb 0.67 -1.44 0.04 0.00 -1.55 0.00 0.00 70.33 68.04 2eef n THR 143 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2eef s GLN 144 N -2.00 3.12 -0.48 1.09 0.00 -1.26 -5.06 119.66 115.07 2eef s GLN 144 Ca 0.59 0.79 0.07 0.00 -0.00 0.00 0.00 55.36 56.81 2eef s GLN 144 Cb -0.55 -2.02 0.18 0.00 0.00 0.00 0.00 33.01 30.62 2eef s GLN 144 CO 0.59 -0.92 0.65 0.20 0.00 0.00 0.00 175.29 175.81 2eef s GLY 145 N -4.02 -0.92 -0.24 2.60 0.00 -1.26 -5.12 107.32 98.36 2eef s GLY 145 Ca 0.57 -0.55 -0.05 0.00 0.00 0.00 0.00 44.72 44.69 2eef s GLY 145 CO 0.54 3.44 -0.00 -0.29 0.00 0.00 0.00 173.10 176.79 2eef s MET 146 N 1.00 3.40 -0.10 2.90 0.00 -1.26 -5.10 119.30 120.14 2eef s MET 146 Ca 0.27 -0.62 -0.04 0.00 0.00 0.00 0.00 55.69 55.29 2eef s MET 146 Cb -0.01 -3.13 -0.04 0.00 0.00 0.00 0.00 34.83 31.65 2eef s MET 146 CO -0.07 -0.23 0.06 -0.08 0.00 0.00 0.00 175.02 174.70 2eef s THR 147 N 1.51 4.83 -0.29 10.11 -1.32 -1.26 -5.10 115.64 124.13 2eef s THR 147 Ca 0.05 -0.05 -0.14 0.00 -1.21 0.00 0.00 61.69 60.34 2eef s THR 147 Cb -0.15 -3.07 0.10 0.00 -1.51 0.00 0.00 72.50 67.88 2eef s THR 147 CO -0.01 0.61 0.71 -0.75 -2.21 0.00 0.00 174.62 172.97 2eef s LYS 148 N -0.93 0.63 0.25 7.08 2.47 -1.26 -5.04 119.74 122.93 2eef s LYS 148 Ca 0.14 1.24 0.02 0.00 -1.56 0.00 0.00 55.97 55.81 2eef s LYS 148 Cb -0.12 0.39 0.30 0.00 -1.46 0.00 0.00 37.83 36.94 2eef s LYS 148 CO 0.03 -0.16 1.62 -1.00 0.16 0.00 0.00 175.35 176.00 2eef h PRO 149 N 7.28 0.41 -5.79 4.03 0.13 -2.09 -3.46 132.00 132.50 2eef h PRO 149 Ca -0.25 -0.21 -0.38 0.00 -0.87 0.00 0.00 66.00 64.28 2eef h PRO 149 Cb 1.18 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.18 2eef h PRO 149 CO 0.14 0.77 -0.56 1.58 -0.23 0.00 0.00 178.00 179.70 2eef n HIS 150 N -4.01 -1.70 -2.83 1.56 -0.00 -1.26 -4.88 115.22 102.10 2eef n HIS 150 Ca -0.02 0.47 -0.41 0.00 0.46 0.00 0.00 57.72 58.22 2eef n HIS 150 Cb 0.52 -2.48 -0.04 0.00 -0.12 0.00 0.00 29.99 27.87 2eef n HIS 150 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2eef s SER 151 N -2.76 7.25 -0.23 0.26 0.15 -1.26 -5.03 113.70 112.08 2eef s SER 151 Ca 0.45 1.51 -0.28 0.00 0.70 0.00 0.00 55.95 58.33 2eef s SER 151 Cb -0.25 -2.51 0.13 0.00 -1.71 0.00 0.00 66.02 61.68 2eef s SER 151 CO 0.55 -0.18 1.06 -0.83 1.20 0.00 0.00 173.24 175.04 2eef s GLY 152 N 0.80 -0.16 0.80 9.45 0.00 -1.26 -5.17 107.32 111.78 2eef s GLY 152 Ca 0.46 2.44 -0.11 0.00 0.00 0.00 0.00 44.72 47.52 2eef s GLY 152 CO 0.25 1.43 1.09 2.56 0.00 0.00 0.00 173.10 178.43 2eef s PRO 153 N -0.47 2.06 0.34 2.90 0.04 -1.26 -5.08 135.00 133.53 2eef s PRO 153 Ca 0.01 1.10 0.08 0.00 0.04 0.00 0.00 61.00 62.23 2eef s PRO 153 Cb -0.03 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.57 2eef s PRO 153 CO -0.03 -1.76 -0.06 0.16 0.04 0.00 0.00 177.00 175.34 2eef s ASP 154 N -3.40 3.46 -1.24 6.66 -4.77 -1.26 -4.79 116.67 111.33 2eef s ASP 154 Ca 0.62 -1.23 -0.02 0.00 -3.30 0.00 0.00 52.55 48.61 2eef s ASP 154 Cb -0.17 -0.30 0.00 0.00 -1.09 0.00 0.00 42.92 41.36 2eef s ASP 154 CO 0.56 -0.30 1.04 -0.11 0.70 0.00 0.00 175.17 177.07 2eef n LEU 155 N -0.77 -3.89 0.00 2.11 0.00 -1.26 -5.38 117.00 107.81 2eef n LEU 155 Ca -0.05 -0.60 0.00 0.00 0.00 0.00 0.00 56.01 55.36 2eef n LEU 155 Cb 0.64 -3.11 0.00 0.00 0.00 0.00 0.00 43.42 40.95 2eef n LEU 155 CO 0.43 0.44 0.00 0.61 0.00 0.00 0.00 177.39 178.88