#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2t n LEU 3 N 0.00 0.00 0.00 6.15 4.77 -1.26 -4.38 117.00 122.28 2i2t n LEU 3 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2i2t n LEU 3 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2i2t n LEU 3 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.39 176.65 2i2t n ASN 4 N 0.00 0.00 -0.04 -1.43 5.03 -1.26 -4.01 115.26 113.56 2i2t n ASN 4 Ca 0.00 0.00 -0.00 0.00 0.87 0.00 0.00 54.58 55.45 2i2t n ASN 4 Cb 0.00 0.00 0.01 0.00 -1.02 0.00 0.00 39.78 38.77 2i2t n ASN 4 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2i2t n THR 5 N 0.00 -0.05 -1.68 3.41 -2.24 -1.26 -4.55 114.28 107.91 2i2t n THR 5 Ca 0.00 0.24 -0.46 0.00 -2.27 0.00 0.00 64.05 61.55 2i2t n THR 5 Cb 0.00 -0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 67.88 2i2t n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2i2t n LEU 6 N -4.15 3.42 -4.55 3.22 -0.00 -1.26 -4.98 117.00 108.70 2i2t n LEU 6 Ca 0.01 1.02 -0.25 0.00 -0.00 0.00 0.00 56.01 56.79 2i2t n LEU 6 Cb 0.04 -1.42 -0.09 0.00 -0.00 0.00 0.00 43.42 41.94 2i2t n LEU 6 CO -0.01 -0.10 -0.39 -0.44 -0.00 0.00 0.00 177.39 176.44 2i2t s SER 7 N 2.63 3.90 0.49 1.45 0.01 -1.26 -5.12 113.70 115.80 2i2t s SER 7 Ca 0.85 -1.02 -0.23 0.00 1.31 0.00 0.00 55.95 56.87 2i2t s SER 7 Cb -0.65 -0.44 -0.07 0.00 0.21 0.00 0.00 66.02 65.08 2i2t s SER 7 CO 0.44 -0.11 1.25 -2.84 0.41 0.00 0.00 173.24 172.39 2i2t s PRO 8 N -3.61 3.54 0.01 12.44 0.02 -1.26 -4.89 135.00 141.26 2i2t s PRO 8 Ca 0.32 1.98 -0.36 0.00 0.02 0.00 0.00 61.00 62.96 2i2t s PRO 8 Cb -0.02 -2.38 -0.15 0.00 0.02 0.00 0.00 34.50 31.97 2i2t s PRO 8 CO 0.17 -0.79 1.55 0.00 -0.33 0.00 0.00 177.00 177.60 2i2t n ALA 9 N -0.64 -0.01 -1.60 -1.55 0.00 -1.26 -4.72 120.51 110.74 2i2t n ALA 9 Ca 0.08 0.44 -0.55 0.00 0.00 0.00 0.00 53.44 53.42 2i2t n ALA 9 Cb 0.46 -2.23 -0.07 0.00 0.00 0.00 0.00 19.45 17.62 2i2t n ALA 9 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2i2t n GLU 10 N 3.84 1.16 -0.61 0.00 4.07 -1.26 -3.04 120.64 124.80 2i2t n GLU 10 Ca 0.20 0.39 0.00 0.00 -0.06 0.00 0.00 57.16 57.69 2i2t n GLU 10 Cb 0.22 -2.24 0.00 0.00 -0.06 0.00 0.00 31.44 29.36 2i2t n GLU 10 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2i2t n GLY 11 N 5.19 0.49 0.54 8.31 0.00 -1.26 -5.08 105.19 113.38 2i2t n GLY 11 Ca 0.33 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2i2t n GLY 11 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2i2t n SER 12 N -0.45 0.00 -4.56 1.61 2.88 -1.17 -5.00 113.62 106.93 2i2t n SER 12 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 2i2t n SER 12 Cb 0.20 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.62 2i2t n SER 12 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2i2t s LYS 13 N -0.30 2.43 0.00 -1.46 -0.14 -1.26 -4.83 119.74 114.19 2i2t s LYS 13 Ca 0.00 0.06 -0.02 0.00 -1.36 0.00 0.00 55.97 54.65 2i2t s LYS 13 Cb 0.00 -4.87 -0.10 0.00 -1.68 0.00 0.00 37.83 31.18 2i2t s LYS 13 CO 0.00 -3.37 1.88 1.63 -0.76 0.00 0.00 175.35 174.72 2i2t n LYS 14 N 8.93 0.93 0.00 1.68 4.76 -1.26 -4.91 118.16 128.29 2i2t n LYS 14 Ca 0.37 -0.37 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 2i2t n LYS 14 Cb 0.48 -1.59 0.00 0.00 -1.84 0.00 0.00 35.03 32.08 2i2t n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2i2t n ALA 15 N 2.38 0.00 0.00 7.82 0.00 -1.26 -4.84 120.51 124.61 2i2t n ALA 15 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2i2t n ALA 15 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 2i2t n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i2t n GLY 16 N 0.00 1.90 3.76 0.00 0.00 -1.26 -5.15 105.19 104.45 2i2t n GLY 16 Ca 0.00 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 2i2t n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2i2t s LYS 17 N -2.00 3.03 0.03 1.61 -2.85 -1.26 -4.99 119.74 113.31 2i2t s LYS 17 Ca 0.00 1.70 -0.01 0.00 -1.00 0.00 0.00 55.97 56.65 2i2t s LYS 17 Cb 0.00 -1.95 -0.00 0.00 -2.06 0.00 0.00 37.83 33.81 2i2t s LYS 17 CO 0.00 -1.13 -0.03 0.54 0.10 0.00 0.00 175.35 174.83 2i2t n ARG 18 N -1.66 0.04 -1.37 1.78 5.12 -1.26 -5.15 116.66 114.16 2i2t n ARG 18 Ca 0.13 0.02 0.00 0.00 -1.93 0.00 0.00 57.85 56.06 2i2t n ARG 18 Cb 0.50 -0.37 0.00 0.00 -1.16 0.00 0.00 32.46 31.43 2i2t n ARG 18 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2i2t n LEU 19 N -3.12 -1.69 -3.72 0.55 4.32 -1.25 -4.83 117.00 107.26 2i2t n LEU 19 Ca -0.01 2.55 -0.23 0.00 -0.02 0.00 0.00 56.01 58.30 2i2t n LEU 19 Cb 0.04 -2.55 0.04 0.00 -1.62 0.00 0.00 43.42 39.33 2i2t n LEU 19 CO 0.02 -0.29 0.01 0.61 -1.22 0.00 0.00 177.39 176.51 2i2t n GLY 20 N -1.87 -0.36 2.45 -0.72 0.00 -0.68 -4.94 105.19 99.06 2i2t n GLY 20 Ca 0.00 0.15 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 2i2t n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i2t n ARG 21 N -4.40 1.47 -0.56 1.61 5.12 -1.26 -4.96 116.66 113.68 2i2t n ARG 21 Ca -0.20 -3.60 0.08 0.00 -1.93 0.00 0.00 57.85 52.20 2i2t n ARG 21 Cb 0.63 -1.67 -0.02 0.00 -1.16 0.00 0.00 32.46 30.25 2i2t n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2i2t n GLY 22 N 0.06 -1.93 0.23 -0.13 0.00 -1.26 -3.98 105.19 98.17 2i2t n GLY 22 Ca 0.22 -1.31 -0.08 0.00 0.00 0.00 0.00 46.02 44.85 2i2t n GLY 22 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2i2t h ILE 23 N -0.52 0.00 -0.77 -0.61 5.03 -1.97 -3.19 117.51 115.49 2i2t h ILE 23 Ca 0.01 -0.54 0.17 0.00 -0.12 0.00 0.00 64.86 64.38 2i2t h ILE 23 Cb 0.51 0.00 -0.15 0.00 -3.03 0.00 0.00 36.82 34.16 2i2t h ILE 23 CO 0.00 0.00 -0.14 0.61 -0.68 0.00 0.00 178.15 177.95 2i2t n GLY 24 N 0.38 -1.22 0.47 5.37 0.00 -1.26 0.37 105.19 109.29 2i2t n GLY 24 Ca -0.06 0.80 0.30 0.00 0.00 0.00 0.00 46.02 47.06 2i2t n GLY 24 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2i2t h SER 25 N 0.00 0.25 0.00 1.61 4.64 -1.69 -3.45 113.55 114.90 2i2t h SER 25 Ca 0.39 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 2i2t h SER 25 Cb 0.67 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 2i2t h SER 25 CO -0.77 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 175.81 2i2t n GLY 26 N -1.60 2.95 2.77 -0.77 0.00 0.16 -4.84 105.19 103.86 2i2t n GLY 26 Ca 0.28 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 2i2t n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2i2t n LEU 27 N 0.00 6.64 0.00 0.99 4.32 -1.26 -4.95 117.00 122.74 2i2t n LEU 27 Ca 0.00 -5.09 0.00 0.00 -0.02 0.00 0.00 56.01 50.90 2i2t n LEU 27 Cb 0.00 -0.91 0.00 0.00 -1.62 0.00 0.00 43.42 40.89 2i2t n LEU 27 CO 0.00 1.97 0.00 0.61 -1.22 0.00 0.00 177.39 178.75 2i2t n GLY 28 N -0.42 -2.72 3.31 -0.72 0.00 -1.20 -1.68 105.19 101.76 2i2t n GLY 28 Ca 0.48 -1.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.07 2i2t n GLY 28 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2i2t n LYS 29 N 0.00 0.16 -3.19 1.61 2.85 -1.26 -3.24 118.16 115.09 2i2t n LYS 29 Ca 0.00 0.06 -0.12 0.00 -1.05 0.00 0.00 58.31 57.21 2i2t n LYS 29 Cb 0.00 -1.23 0.01 0.00 -0.65 0.00 0.00 35.03 33.16 2i2t n LYS 29 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2i2t n THR 30 N -1.61 -8.43 -1.20 0.58 -2.24 -1.26 -4.50 114.28 95.62 2i2t n THR 30 Ca 0.09 0.15 -0.11 0.00 -2.27 0.00 0.00 64.05 61.91 2i2t n THR 30 Cb 0.47 -5.90 -0.11 0.00 -2.10 0.00 0.00 70.33 62.70 2i2t n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2i2t n GLY 31 N -1.15 -0.25 4.04 3.38 0.00 -1.22 -2.58 105.19 107.42 2i2t n GLY 31 Ca -0.04 -0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 2i2t n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i2t n GLY 32 N 4.78 -0.11 0.13 -0.02 0.00 -1.26 -4.82 105.19 103.90 2i2t n GLY 32 Ca 0.33 0.15 0.02 0.00 0.00 0.00 0.00 46.02 46.52 2i2t n GLY 32 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2i2t n ARG 33 N -4.03 1.03 0.00 1.61 1.85 -1.06 -5.13 116.66 110.92 2i2t n ARG 33 Ca -0.27 -1.28 0.00 0.00 -1.00 0.00 0.00 57.85 55.30 2i2t n ARG 33 Cb 0.59 -0.82 0.00 0.00 -1.05 0.00 0.00 32.46 31.18 2i2t n ARG 33 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2i2t n GLY 34 N -0.41 0.60 2.99 2.89 0.00 -1.26 -4.60 105.19 105.40 2i2t n GLY 34 Ca 0.03 -0.86 -0.23 0.00 0.00 0.00 0.00 46.02 44.96 2i2t n GLY 34 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2i2t s HIS 35 N 0.00 1.29 0.00 1.61 3.76 -1.26 -4.90 115.29 115.79 2i2t s HIS 35 Ca 0.00 -0.46 0.00 0.00 -0.15 0.00 0.00 55.06 54.45 2i2t s HIS 35 Cb 0.00 -0.97 0.00 0.00 1.11 0.00 0.00 32.58 32.72 2i2t s HIS 35 CO 0.00 -0.26 0.00 1.63 -0.85 0.00 0.00 174.74 175.26 2i2t n LYS 36 N 3.87 0.00 -0.14 1.40 4.01 -1.26 -5.00 118.16 121.03 2i2t n LYS 36 Ca -0.23 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.57 2i2t n LYS 36 Cb 0.51 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.03 2i2t n LYS 36 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2i2t n GLY 37 N 0.00 -3.16 0.28 0.72 0.00 -1.26 -4.26 105.19 97.50 2i2t n GLY 37 Ca 0.00 -1.11 0.27 0.00 0.00 0.00 0.00 46.02 45.18 2i2t n GLY 37 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2i2t n GLN 38 N -0.93 -0.04 -0.27 1.61 7.27 -1.26 -0.34 117.38 123.42 2i2t n GLN 38 Ca 0.00 1.08 0.20 0.00 0.07 0.00 0.00 57.00 58.35 2i2t n GLN 38 Cb 0.00 -1.97 0.51 0.00 2.41 0.00 0.00 30.24 31.20 2i2t n GLN 38 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 2i2t h LYS 39 N 0.00 0.39 0.00 3.69 1.79 -1.85 -3.12 116.57 117.48 2i2t h LYS 39 Ca 0.68 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 59.13 2i2t h LYS 39 Cb 1.87 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 32.44 2i2t h LYS 39 CO -0.56 0.26 0.00 -1.13 -1.08 0.00 0.00 179.45 176.93 2i2t n SER 40 N -4.54 0.00 -1.76 0.86 3.41 0.54 -4.57 113.62 107.56 2i2t n SER 40 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 2i2t n SER 40 Cb 0.76 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.71 2i2t n SER 40 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2i2t n ARG 41 N 0.00 -5.04 -1.71 4.33 5.12 -1.26 -3.71 116.66 114.38 2i2t n ARG 41 Ca 0.00 3.75 -0.43 0.00 -1.93 0.00 0.00 57.85 59.24 2i2t n ARG 41 Cb 0.00 -4.21 -0.01 0.00 -1.16 0.00 0.00 32.46 27.08 2i2t n ARG 41 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2i2t n SER 42 N -0.77 3.14 -3.62 0.55 3.41 -1.26 -1.69 113.62 113.38 2i2t n SER 42 Ca 0.00 1.18 -0.23 0.00 -0.26 0.00 0.00 58.87 59.56 2i2t n SER 42 Cb 0.00 -1.51 0.04 0.00 -0.26 0.00 0.00 64.21 62.48 2i2t n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2i2t n GLY 43 N 1.34 -0.65 3.50 5.00 0.00 -1.26 -4.97 105.19 108.14 2i2t n GLY 43 Ca 0.07 0.31 -0.33 0.00 0.00 0.00 0.00 46.02 46.06 2i2t n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2i2t s GLY 44 N -3.93 1.60 0.00 -0.02 0.00 -0.68 -5.04 107.32 99.25 2i2t s GLY 44 Ca 0.22 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 44.02 2i2t s GLY 44 CO 0.81 -0.60 0.00 0.61 0.00 0.00 0.00 173.10 173.93 2i2t n GLY 45 N 2.54 4.01 3.54 0.20 0.00 -1.18 -4.73 105.19 109.58 2i2t n GLY 45 Ca -0.18 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.71 2i2t n GLY 45 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2i2t n VAL 46 N 0.00 0.00 -0.17 1.61 0.24 -1.26 -5.00 118.33 113.75 2i2t n VAL 46 Ca 0.00 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 2i2t n VAL 46 Cb 0.00 -0.87 0.00 0.00 -1.47 0.00 0.00 33.84 31.50 2i2t n VAL 46 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2i2t n ARG 47 N -3.57 -0.16 -3.44 7.34 1.85 -1.26 -4.99 116.66 112.43 2i2t n ARG 47 Ca 0.08 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.60 2i2t n ARG 47 Cb 0.53 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.89 2i2t n ARG 47 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2i2t s ARG 48 N -1.50 3.83 0.00 2.89 0.52 -1.26 -3.98 118.95 119.44 2i2t s ARG 48 Ca 0.00 0.29 0.00 0.00 -0.52 0.00 0.00 55.73 55.50 2i2t s ARG 48 Cb 0.00 -2.77 0.00 0.00 0.52 0.00 0.00 34.95 32.70 2i2t s ARG 48 CO 0.00 0.40 0.00 0.41 0.02 0.00 0.00 175.30 176.13 2i2t n GLY 49 N 0.23 2.01 3.55 -3.53 0.00 -1.26 -4.90 105.19 101.29 2i2t n GLY 49 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 2i2t n GLY 49 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2i2t s PHE 50 N -1.07 1.40 -1.21 1.61 2.19 -1.26 -4.69 117.98 114.96 2i2t s PHE 50 Ca 0.00 1.26 -0.08 0.00 0.33 0.00 0.00 56.93 58.43 2i2t s PHE 50 Cb 0.00 -3.78 0.21 0.00 -1.31 0.00 0.00 43.02 38.14 2i2t s PHE 50 CO 0.00 -2.07 1.67 0.39 1.83 0.00 0.00 175.22 177.04 2i2t n GLU 51 N 8.98 3.83 0.00 10.12 1.02 -1.26 -4.90 120.64 138.43 2i2t n GLU 51 Ca 0.35 -3.91 0.00 0.00 -0.02 0.00 0.00 57.16 53.59 2i2t n GLU 51 Cb 0.50 -2.80 0.00 0.00 -0.02 0.00 0.00 31.44 29.11 2i2t n GLU 51 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2i2t n GLY 52 N 2.53 1.11 0.14 0.62 0.00 -1.26 -3.67 105.19 104.66 2i2t n GLY 52 Ca 0.35 -0.65 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 2i2t n GLY 52 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2i2t h GLY 53 N 0.00 0.42 -3.36 -0.02 0.00 -2.01 -3.48 103.07 94.62 2i2t h GLY 53 Ca 0.00 -1.07 -0.58 0.00 0.00 0.00 0.00 47.33 45.68 2i2t h GLY 53 CO 0.00 0.94 -0.97 0.61 0.00 0.00 0.00 176.54 177.12 2i2t n GLN 54 N -3.72 0.15 -1.63 4.80 10.64 -1.24 -4.80 117.38 121.58 2i2t n GLN 54 Ca -0.24 0.06 -0.46 0.00 -1.83 0.00 0.00 57.00 54.53 2i2t n GLN 54 Cb 1.02 -1.31 -0.03 0.00 -0.86 0.00 0.00 30.24 29.06 2i2t n GLN 54 CO 0.00 0.00 0.00 -0.12 -1.83 0.00 0.00 177.06 175.11 2i2t n MET 55 N 0.88 1.61 0.00 2.61 0.00 -1.26 -4.64 117.12 116.32 2i2t n MET 55 Ca 0.07 0.57 0.00 0.00 -0.00 0.00 0.00 57.70 58.34 2i2t n MET 55 Cb 0.49 -2.12 0.00 0.00 0.00 0.00 0.00 33.22 31.59 2i2t n MET 55 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 2i2t n PRO 56 N 1.66 0.53 -0.07 2.12 -0.02 -1.26 -4.87 135.00 133.08 2i2t n PRO 56 Ca 0.12 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.51 2i2t n PRO 56 Cb 0.29 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.70 2i2t n PRO 56 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2i2t n LEU 57 N 0.00 2.58 -0.01 2.45 7.94 -1.26 -3.37 117.00 125.33 2i2t n LEU 57 Ca 0.00 -0.06 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 2i2t n LEU 57 Cb 0.00 -0.38 0.00 0.00 0.53 0.00 0.00 43.42 43.57 2i2t n LEU 57 CO 0.00 0.67 0.43 0.00 -1.11 0.00 0.00 177.39 177.38 2i2t n TYR 58 N -2.84 0.00 -0.24 1.96 0.18 -1.26 -1.63 117.16 113.33 2i2t n TYR 58 Ca -0.24 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.54 2i2t n TYR 58 Cb 0.77 -0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.73 2i2t n TYR 58 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2i2t n ARG 59 N -0.49 1.50 -0.08 -3.48 5.12 -1.26 -4.78 116.66 113.19 2i2t n ARG 59 Ca 0.00 -0.07 -0.07 0.00 -1.93 0.00 0.00 57.85 55.78 2i2t n ARG 59 Cb 0.00 -0.38 -0.15 0.00 -1.16 0.00 0.00 32.46 30.77 2i2t n ARG 59 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2i2t n ARG 60 N -0.24 0.82 -3.69 5.56 0.63 -0.65 -4.85 116.66 114.25 2i2t n ARG 60 Ca 0.00 -0.04 -0.37 0.00 -0.92 0.00 0.00 57.85 56.53 2i2t n ARG 60 Cb 0.06 -1.49 -0.06 0.00 0.45 0.00 0.00 32.46 31.41 2i2t n ARG 60 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2i2t s LEU 61 N -5.28 4.37 1.16 6.15 1.02 -0.90 -5.06 118.68 120.14 2i2t s LEU 61 Ca -0.09 0.60 -0.17 0.00 0.02 0.00 0.00 54.13 54.48 2i2t s LEU 61 Cb 0.07 -2.28 0.19 0.00 0.02 0.00 0.00 46.19 44.19 2i2t s LEU 61 CO 0.80 0.30 0.35 -2.65 0.02 0.00 0.00 176.35 175.17 2i2t n PRO 62 N 2.39 -2.46 -4.09 1.29 -0.02 -1.26 -4.92 135.00 125.93 2i2t n PRO 62 Ca -0.16 -0.71 -0.30 0.00 -2.02 0.00 0.00 63.50 60.31 2i2t n PRO 62 Cb 0.53 -1.73 -0.17 0.00 -0.02 0.00 0.00 33.50 32.12 2i2t n PRO 62 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2i2t s LYS 63 N -3.82 2.26 -0.46 -0.52 -2.85 -1.26 -5.07 119.74 108.02 2i2t s LYS 63 Ca 0.54 -0.55 -0.12 0.00 -1.00 0.00 0.00 55.97 54.85 2i2t s LYS 63 Cb -0.12 -2.05 0.09 0.00 -2.06 0.00 0.00 37.83 33.69 2i2t s LYS 63 CO 0.56 -0.21 0.34 -0.59 0.10 0.00 0.00 175.35 175.55 2i2t s PHE 64 N 1.42 3.32 0.00 1.78 -0.12 -1.26 -5.06 117.98 118.05 2i2t s PHE 64 Ca 0.03 -1.42 0.00 0.00 -0.05 0.00 0.00 56.93 55.49 2i2t s PHE 64 Cb -0.13 -3.22 0.00 0.00 -0.63 0.00 0.00 43.02 39.04 2i2t s PHE 64 CO -0.09 -0.88 0.00 0.41 -0.05 0.00 0.00 175.22 174.60 2i2t n GLY 65 N 5.02 1.50 0.46 1.99 0.00 -1.26 -5.07 105.19 107.83 2i2t n GLY 65 Ca -0.11 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.12 2i2t n GLY 65 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2i2t n PHE 66 N 0.00 0.00 -5.01 1.61 7.35 -1.26 -5.10 117.46 115.05 2i2t n PHE 66 Ca 0.00 0.00 -0.27 0.00 -0.76 0.00 0.00 57.45 56.42 2i2t n PHE 66 Cb 0.00 -1.40 -0.16 0.00 0.35 0.00 0.00 39.48 38.28 2i2t n PHE 66 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2i2t s THR 67 N 0.00 1.63 0.00 -2.13 -4.23 -1.26 -5.09 115.64 104.56 2i2t s THR 67 Ca 0.00 -0.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.63 2i2t s THR 67 Cb 0.00 -1.36 0.00 0.00 1.34 0.00 0.00 72.50 72.48 2i2t s THR 67 CO 0.00 0.46 0.00 -1.54 -0.54 0.00 0.00 174.62 173.00 2i2t n SER 68 N 2.60 0.00 -0.03 3.99 3.41 -1.26 -4.80 113.62 117.53 2i2t n SER 68 Ca -0.15 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.45 2i2t n SER 68 Cb 0.53 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.48 2i2t n SER 68 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2i2t n ARG 69 N -0.42 -1.14 0.00 4.33 5.12 -1.26 -4.55 116.66 118.74 2i2t n ARG 69 Ca 0.00 0.31 0.00 0.00 -1.93 0.00 0.00 57.85 56.23 2i2t n ARG 69 Cb 0.00 -4.17 0.00 0.00 -1.16 0.00 0.00 32.46 27.13 2i2t n ARG 69 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2i2t n LYS 70 N -0.75 1.91 0.10 5.56 4.81 -1.26 -4.86 118.16 123.67 2i2t n LYS 70 Ca -0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 2i2t n LYS 70 Cb 0.29 -0.32 0.05 0.00 0.02 0.00 0.00 35.03 35.07 2i2t n LYS 70 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2i2t h ALA 71 N 0.00 0.70 0.00 3.14 0.00 -1.86 -0.37 119.26 120.87 2i2t h ALA 71 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2i2t h ALA 71 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2i2t h ALA 71 CO 0.00 0.96 0.00 0.00 0.00 0.00 0.00 179.25 180.21 2i2t h ALA 72 N 1.20 1.00 0.00 0.00 0.00 -1.94 -0.54 119.26 118.98 2i2t h ALA 72 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2i2t h ALA 72 Cb 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2i2t h ALA 72 CO 0.10 0.00 -0.59 0.44 0.00 0.00 0.00 179.25 179.21 2i2t n ILE 73 N -3.01 0.00 -2.99 0.00 -5.35 -1.11 -4.60 119.36 102.30 2i2t n ILE 73 Ca -0.02 -0.29 -0.43 0.00 -0.27 0.00 0.00 62.75 61.73 2i2t n ILE 73 Cb 0.10 0.84 -0.05 0.00 -1.74 0.00 0.00 39.64 38.79 2i2t n ILE 73 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2i2t s THR 74 N -1.90 4.61 0.68 7.28 2.01 -0.17 -0.11 115.64 128.05 2i2t s THR 74 Ca 0.01 -0.24 -0.00 0.00 0.31 0.00 0.00 61.69 61.77 2i2t s THR 74 Cb 0.05 -4.46 0.11 0.00 0.01 0.00 0.00 72.50 68.21 2i2t s THR 74 CO 0.31 -1.05 0.95 0.00 -0.69 0.00 0.00 174.62 174.14 2i2t s ALA 75 N 3.33 3.74 -0.26 7.40 0.00 0.88 -4.78 121.76 132.07 2i2t s ALA 75 Ca 0.21 -1.63 -0.03 0.00 0.00 0.00 0.00 51.96 50.52 2i2t s ALA 75 Cb -0.17 -2.03 0.08 0.00 0.00 0.00 0.00 23.12 21.00 2i2t s ALA 75 CO 0.14 -1.30 0.08 -2.00 0.00 0.00 0.00 175.76 172.68 2i2t s GLU 76 N -5.06 0.51 0.68 0.00 2.12 -1.26 -2.41 118.70 113.29 2i2t s GLU 76 Ca 0.64 -0.65 -0.06 0.00 0.36 0.00 0.00 54.97 55.26 2i2t s GLU 76 Cb -0.06 -1.81 0.05 0.00 0.26 0.00 0.00 34.13 32.57 2i2t s GLU 76 CO 0.43 -0.86 0.99 0.42 -0.54 0.00 0.00 175.26 175.70 2i2t s ILE 77 N 1.86 2.49 0.08 -3.70 1.01 0.55 -4.91 121.20 118.57 2i2t s ILE 77 Ca 0.05 -0.24 0.03 0.00 0.00 0.00 0.00 60.65 60.49 2i2t s ILE 77 Cb -0.17 -3.07 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 2i2t s ILE 77 CO -0.21 -0.07 -0.09 -0.13 0.00 0.00 0.00 174.94 174.44 2i2t s ARG 78 N -5.19 0.74 0.22 2.79 0.52 -1.17 -4.24 118.95 112.61 2i2t s ARG 78 Ca 0.59 -1.05 -0.09 0.00 -0.52 0.00 0.00 55.73 54.66 2i2t s ARG 78 Cb -0.11 -0.40 0.32 0.00 0.52 0.00 0.00 34.95 35.28 2i2t s ARG 78 CO 0.45 0.06 1.69 -0.07 0.02 0.00 0.00 175.30 177.44 2i2t h LEU 79 N 3.80 -0.07 -0.84 2.53 3.38 -1.54 0.13 115.31 122.69 2i2t h LEU 79 Ca -0.37 0.13 0.21 0.00 0.09 0.00 0.00 57.88 57.95 2i2t h LEU 79 Cb 1.19 0.19 -0.14 0.00 0.09 0.00 0.00 40.66 41.99 2i2t h LEU 79 CO 0.50 -0.03 0.14 0.77 0.09 0.00 0.00 178.44 179.91 2i2t h SER 80 N 0.22 -0.16 0.00 -0.43 4.64 -1.88 -3.28 113.55 112.66 2i2t h SER 80 Ca 0.33 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 2i2t h SER 80 Cb 0.52 0.31 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 2i2t h SER 80 CO -0.45 -0.18 0.00 0.47 -0.87 0.00 0.00 176.83 175.80 2i2t n ASP 81 N -5.29 0.00 0.00 4.97 8.00 0.43 -4.35 116.55 120.31 2i2t n ASP 81 Ca 0.19 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.69 2i2t n ASP 81 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 2i2t n ASP 81 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2i2t n LEU 82 N 0.00 0.00 0.33 0.64 4.32 -1.16 0.49 117.00 121.62 2i2t n LEU 82 Ca 0.00 0.00 0.18 0.00 -0.02 0.00 0.00 56.01 56.17 2i2t n LEU 82 Cb 0.00 0.00 0.95 0.00 -1.62 0.00 0.00 43.42 42.75 2i2t n LEU 82 CO 0.00 0.00 1.15 0.00 -1.22 0.00 0.00 177.39 177.32 2i2t h ALA 83 N -0.27 1.25 0.00 -1.18 0.00 -1.82 0.37 119.26 117.60 2i2t h ALA 83 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2i2t h ALA 83 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2i2t h ALA 83 CO 0.00 -0.23 0.00 1.17 0.00 0.00 0.00 179.25 180.19 2i2t n LYS 84 N -2.97 0.03 0.00 0.00 4.81 0.18 -2.07 118.16 118.14 2i2t n LYS 84 Ca -0.02 0.33 0.01 0.00 -0.87 0.00 0.00 58.31 57.75 2i2t n LYS 84 Cb 0.29 -1.50 0.05 0.00 0.02 0.00 0.00 35.03 33.88 2i2t n LYS 84 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 2i2t n VAL 85 N -1.44 0.00 -2.54 3.15 3.14 0.13 -4.91 118.33 115.86 2i2t n VAL 85 Ca 0.02 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.38 2i2t n VAL 85 Cb 0.08 -0.18 -0.02 0.00 -1.06 0.00 0.00 33.84 32.66 2i2t n VAL 85 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2i2t n GLU 86 N -0.53 -3.66 0.00 1.45 4.07 -0.88 -4.91 120.64 116.18 2i2t n GLU 86 Ca 0.01 2.88 0.00 0.00 -0.06 0.00 0.00 57.16 59.99 2i2t n GLU 86 Cb 0.01 -4.84 0.00 0.00 -0.06 0.00 0.00 31.44 26.55 2i2t n GLU 86 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2i2t n GLY 87 N 1.07 -1.82 0.00 8.31 0.00 -1.26 -5.01 105.19 106.49 2i2t n GLY 87 Ca -0.19 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 43.97 2i2t n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i2t n GLY 88 N 0.00 0.38 2.00 -0.02 0.00 -1.26 -4.80 105.19 101.48 2i2t n GLY 88 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.21 2i2t n GLY 88 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2i2t n VAL 89 N -0.06 -0.69 -2.86 1.61 3.14 -1.21 -4.79 118.33 113.48 2i2t n VAL 89 Ca 0.00 0.02 -0.44 0.00 -2.96 0.00 0.00 64.34 60.96 2i2t n VAL 89 Cb 0.00 -1.63 -0.00 0.00 -1.06 0.00 0.00 33.84 31.15 2i2t n VAL 89 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2i2t s VAL 90 N -0.04 4.80 1.05 1.55 1.01 0.21 -4.85 120.40 124.13 2i2t s VAL 90 Ca 0.00 -2.42 -0.14 0.00 0.00 0.00 0.00 61.98 59.43 2i2t s VAL 90 Cb 0.00 -4.98 0.22 0.00 0.00 0.00 0.00 36.38 31.62 2i2t s VAL 90 CO 0.00 -1.72 1.09 -1.81 0.00 0.00 0.00 175.10 172.66 2i2t s ASP 91 N 3.21 2.15 0.15 3.32 1.01 -1.26 -0.21 116.67 125.03 2i2t s ASP 91 Ca 0.45 1.09 -0.24 0.00 0.71 0.00 0.00 52.55 54.56 2i2t s ASP 91 Cb -0.01 -1.69 0.02 0.00 1.01 0.00 0.00 42.92 42.24 2i2t s ASP 91 CO 0.01 -3.42 1.61 0.17 0.21 0.00 0.00 175.17 173.76 2i2t h LEU 92 N -2.09 -0.96 0.00 1.23 -0.00 -1.43 -3.39 115.31 108.67 2i2t h LEU 92 Ca -0.54 0.16 0.00 0.00 -0.00 0.00 0.00 57.88 57.50 2i2t h LEU 92 Cb 1.33 0.43 0.00 0.00 -0.00 0.00 0.00 40.66 42.42 2i2t h LEU 92 CO 0.54 -0.33 0.00 -0.46 -0.00 0.00 0.00 178.44 178.19 2i2t n ASN 93 N -5.40 0.00 0.00 0.17 6.94 -1.26 -4.52 115.26 111.19 2i2t n ASN 93 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.55 2i2t n ASN 93 Cb 0.32 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.74 2i2t n ASN 93 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 2i2t n THR 94 N 0.00 0.00 -0.24 5.53 -1.04 -1.26 -3.84 114.28 113.43 2i2t n THR 94 Ca 0.00 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.03 2i2t n THR 94 Cb 0.00 0.00 0.15 0.00 -1.82 0.00 0.00 70.33 68.66 2i2t n THR 94 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2i2t h LEU 95 N 0.00 0.32 0.47 -4.42 3.38 -1.79 1.95 115.31 115.21 2i2t h LEU 95 Ca 0.00 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2i2t h LEU 95 Cb 0.00 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2i2t h LEU 95 CO 0.00 0.16 -0.50 0.11 0.09 0.00 0.00 178.44 178.30 2i2t h LYS 96 N 0.48 -0.94 0.00 1.13 1.57 -1.83 0.19 116.57 117.18 2i2t h LYS 96 Ca 0.36 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 2i2t h LYS 96 Cb 0.47 0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2i2t h LYS 96 CO -0.33 -0.63 0.00 0.00 -0.57 0.00 0.00 179.45 177.92 2i2t h ALA 97 N -0.89 1.00 -0.25 3.86 0.00 -1.54 0.33 119.26 121.77 2i2t h ALA 97 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2i2t h ALA 97 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2i2t h ALA 97 CO -0.08 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.17 2i2t n ALA 98 N -2.05 2.96 -4.19 0.00 0.00 0.65 -4.90 120.51 112.98 2i2t n ALA 98 Ca -0.02 -0.74 -0.31 0.00 0.00 0.00 0.00 53.44 52.36 2i2t n ALA 98 Cb 0.09 -1.04 -0.07 0.00 0.00 0.00 0.00 19.45 18.43 2i2t n ALA 98 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2i2t n ASN 99 N 0.28 0.09 0.00 0.00 0.23 0.12 -4.83 115.26 111.15 2i2t n ASN 99 Ca 0.11 -1.21 0.00 0.00 -0.53 0.00 0.00 54.58 52.96 2i2t n ASN 99 Cb 0.57 -2.01 0.00 0.00 -2.08 0.00 0.00 39.78 36.26 2i2t n ASN 99 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2i2t n ILE 100 N -4.57 0.00 0.03 1.53 0.13 -0.52 -4.99 119.36 110.96 2i2t n ILE 100 Ca -0.30 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.35 2i2t n ILE 100 Cb 0.68 0.98 0.00 0.00 -0.84 0.00 0.00 39.64 40.46 2i2t n ILE 100 CO 0.00 0.00 0.00 -0.38 2.80 0.00 0.00 176.55 178.97 2i2t n ILE 101 N 0.00 0.00 0.00 9.51 2.08 -1.24 -4.89 119.36 124.81 2i2t n ILE 101 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2i2t n ILE 101 Cb 0.47 -0.44 0.00 0.00 -0.75 0.00 0.00 39.64 38.93 2i2t n ILE 101 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2i2t n GLY 102 N 1.12 2.49 0.00 7.39 0.00 -1.26 -4.78 105.19 110.15 2i2t n GLY 102 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.59 2i2t n GLY 102 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2i2t n ILE 103 N 1.82 0.00 -0.17 -0.61 -0.00 -1.26 -2.09 119.36 117.05 2i2t n ILE 103 Ca 0.00 0.86 0.17 0.00 -0.00 0.00 0.00 62.75 63.77 2i2t n ILE 103 Cb 0.00 -1.34 0.30 0.00 -0.00 0.00 0.00 39.64 38.60 2i2t n ILE 103 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2i2t n GLN 104 N -0.75 -0.03 -1.49 0.38 1.13 -1.26 -4.57 117.38 110.79 2i2t n GLN 104 Ca 0.00 0.69 -0.48 0.00 -1.94 0.00 0.00 57.00 55.28 2i2t n GLN 104 Cb 0.00 -1.26 -0.03 0.00 0.11 0.00 0.00 30.24 29.07 2i2t n GLN 104 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 2i2t n ILE 105 N -4.11 1.73 0.00 5.09 2.08 -0.89 -4.80 119.36 118.46 2i2t n ILE 105 Ca 0.19 -0.43 0.00 0.00 0.56 0.00 0.00 62.75 63.07 2i2t n ILE 105 Cb 0.66 -0.43 0.00 0.00 -0.75 0.00 0.00 39.64 39.12 2i2t n ILE 105 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2i2t n GLU 106 N 1.03 3.04 -4.36 0.38 1.02 0.84 -5.02 120.64 117.57 2i2t n GLU 106 Ca 0.15 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 57.10 2i2t n GLU 106 Cb 0.26 -0.89 -0.10 0.00 -0.02 0.00 0.00 31.44 30.68 2i2t n GLU 106 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2i2t s PHE 107 N -1.78 1.71 -0.11 -0.32 0.08 -1.01 -5.04 117.98 111.52 2i2t s PHE 107 Ca 0.00 -0.75 -0.30 0.00 0.12 0.00 0.00 56.93 56.00 2i2t s PHE 107 Cb 0.00 -0.94 0.11 0.00 -0.57 0.00 0.00 43.02 41.62 2i2t s PHE 107 CO 0.00 0.17 0.93 0.00 -0.10 0.00 0.00 175.22 176.22 2i2t s ALA 108 N -3.17 -1.88 -0.04 5.36 0.00 -1.26 -0.09 121.76 120.68 2i2t s ALA 108 Ca 0.27 1.42 0.01 0.00 0.00 0.00 0.00 51.96 53.65 2i2t s ALA 108 Cb 0.03 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 2i2t s ALA 108 CO 0.09 -0.41 -0.05 0.15 0.00 0.00 0.00 175.76 175.54 2i2t s LYS 109 N -1.60 2.73 0.00 0.00 -0.14 -1.01 -1.83 119.74 117.89 2i2t s LYS 109 Ca -0.01 -0.59 0.00 0.00 -1.36 0.00 0.00 55.97 54.01 2i2t s LYS 109 Cb -0.01 -2.60 0.00 0.00 -1.68 0.00 0.00 37.83 33.54 2i2t s LYS 109 CO 0.00 0.65 0.72 0.28 -0.76 0.00 0.00 175.35 176.23 2i2t n VAL 110 N 1.90 0.00 -1.20 3.17 0.31 0.11 -0.33 118.33 122.28 2i2t n VAL 110 Ca -0.17 1.20 0.00 0.00 -0.01 0.00 0.00 64.34 65.36 2i2t n VAL 110 Cb 0.53 -2.16 0.00 0.00 -0.91 0.00 0.00 33.84 31.29 2i2t n VAL 110 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2i2t n ILE 111 N -1.77 -3.40 -3.28 2.52 2.08 -1.26 -3.03 119.36 111.23 2i2t n ILE 111 Ca 0.00 1.52 -0.39 0.00 0.56 0.00 0.00 62.75 64.44 2i2t n ILE 111 Cb 0.00 -2.23 -0.07 0.00 -0.75 0.00 0.00 39.64 36.59 2i2t n ILE 111 CO 0.00 0.00 0.00 -1.48 0.56 0.00 0.00 176.55 175.63 2i2t s LEU 112 N -3.83 4.13 -0.01 1.39 2.34 -1.26 -1.92 118.68 119.51 2i2t s LEU 112 Ca 0.00 0.60 0.02 0.00 0.06 0.00 0.00 54.13 54.82 2i2t s LEU 112 Cb 0.00 -2.65 -0.03 0.00 -0.56 0.00 0.00 46.19 42.94 2i2t s LEU 112 CO 0.00 -0.18 0.03 0.00 -1.06 0.00 0.00 176.35 175.14 2i2t n ALA 113 N 4.88 2.03 0.00 1.48 0.00 -1.26 -4.78 120.51 122.86 2i2t n ALA 113 Ca -0.05 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2i2t n ALA 113 Cb 0.50 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.99 2i2t n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i2t n GLY 114 N 2.58 -0.90 3.11 0.00 0.00 -1.26 -4.82 105.19 103.90 2i2t n GLY 114 Ca -0.02 0.33 -0.23 0.00 0.00 0.00 0.00 46.02 46.10 2i2t n GLY 114 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2i2t n GLU 115 N 0.00 -2.70 0.00 1.61 4.71 -1.26 -4.81 120.64 118.18 2i2t n GLU 115 Ca 0.00 -0.80 0.00 0.00 -0.01 0.00 0.00 57.16 56.35 2i2t n GLU 115 Cb 0.00 -1.61 0.00 0.00 -1.01 0.00 0.00 31.44 28.82 2i2t n GLU 115 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 2i2t n VAL 116 N -4.71 0.00 0.00 2.62 3.14 -1.26 -4.15 118.33 113.97 2i2t n VAL 116 Ca 0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 2i2t n VAL 116 Cb 0.45 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.23 2i2t n VAL 116 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2i2t n THR 117 N 0.00 0.00 -1.66 1.55 -1.04 -1.26 -4.42 114.28 107.45 2i2t n THR 117 Ca 0.00 0.00 -0.51 0.00 -2.04 0.00 0.00 64.05 61.50 2i2t n THR 117 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 2i2t n THR 117 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 2i2t n THR 118 N 0.00 0.18 -1.74 12.58 5.66 -1.26 -4.58 114.28 125.12 2i2t n THR 118 Ca 0.00 -0.03 -0.42 0.00 -3.05 0.00 0.00 64.05 60.55 2i2t n THR 118 Cb 0.00 -1.32 -0.03 0.00 -1.55 0.00 0.00 70.33 67.44 2i2t n THR 118 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 175.07 169.18 2i2t s PRO 119 N 1.95 4.12 0.15 1.09 0.02 -1.21 -4.85 135.00 136.27 2i2t s PRO 119 Ca 0.87 2.60 -0.00 0.00 0.02 0.00 0.00 61.00 64.49 2i2t s PRO 119 Cb -0.85 -3.07 -0.04 0.00 0.02 0.00 0.00 34.50 30.56 2i2t s PRO 119 CO 0.49 -0.74 0.06 0.08 -0.33 0.00 0.00 177.00 176.56 2i2t s VAL 120 N 1.01 0.22 -0.22 3.83 1.01 -1.14 -4.87 120.40 120.23 2i2t s VAL 120 Ca 0.73 -1.94 -0.00 0.00 0.00 0.00 0.00 61.98 60.77 2i2t s VAL 120 Cb -0.49 -2.15 0.06 0.00 0.00 0.00 0.00 36.38 33.79 2i2t s VAL 120 CO 0.34 -0.38 -0.03 0.42 0.00 0.00 0.00 175.10 175.45 2i2t s THR 121 N -3.97 1.26 0.07 3.92 -4.23 -1.26 -1.06 115.64 110.36 2i2t s THR 121 Ca 0.27 -1.04 -0.29 0.00 -1.18 0.00 0.00 61.69 59.44 2i2t s THR 121 Cb 0.07 -1.59 -0.05 0.00 1.34 0.00 0.00 72.50 72.27 2i2t s THR 121 CO 0.04 -0.13 0.94 0.68 -0.54 0.00 0.00 174.62 175.61 2i2t s VAL 122 N 1.52 4.65 -0.18 2.29 -7.23 -0.62 0.66 120.40 121.49 2i2t s VAL 122 Ca -0.05 2.01 0.01 0.00 -1.81 0.00 0.00 61.98 62.14 2i2t s VAL 122 Cb -0.18 -4.29 0.02 0.00 0.56 0.00 0.00 36.38 32.48 2i2t s VAL 122 CO -0.07 0.27 -0.20 -0.60 -0.31 0.00 0.00 175.10 174.20 2i2t s ARG 123 N 0.32 2.98 -0.78 4.82 3.00 0.71 -0.28 118.95 129.71 2i2t s ARG 123 Ca 0.47 -0.84 -0.01 0.00 -1.00 0.00 0.00 55.73 54.36 2i2t s ARG 123 Cb -0.22 -2.58 -0.01 0.00 0.00 0.00 0.00 34.95 32.14 2i2t s ARG 123 CO 0.28 -0.22 0.66 0.41 0.00 0.00 0.00 175.30 176.44 2i2t n GLY 124 N 4.62 -0.18 3.23 8.12 0.00 -1.26 -1.39 105.19 118.33 2i2t n GLY 124 Ca -0.21 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 2i2t n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i2t s LEU 125 N -4.86 0.84 0.67 0.99 1.43 -1.26 -4.40 118.68 112.09 2i2t s LEU 125 Ca 0.07 0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 53.24 2i2t s LEU 125 Cb -0.01 1.24 -0.01 0.00 0.03 0.00 0.00 46.19 47.44 2i2t s LEU 125 CO 0.49 -0.39 1.05 -0.13 0.23 0.00 0.00 176.35 177.61 2i2t s ARG 126 N -1.07 3.18 -0.14 1.70 3.00 -0.76 -4.79 118.95 120.07 2i2t s ARG 126 Ca -0.11 0.77 -0.28 0.00 0.00 0.00 0.00 55.73 56.11 2i2t s ARG 126 Cb -0.05 -2.03 0.07 0.00 0.00 0.00 0.00 34.95 32.94 2i2t s ARG 126 CO 0.04 -0.88 0.69 0.54 0.00 0.00 0.00 175.30 175.68 2i2t s VAL 127 N -3.16 0.00 0.31 3.52 0.11 -1.26 -0.72 120.40 119.20 2i2t s VAL 127 Ca 0.57 -0.01 -0.15 0.00 -2.93 0.00 0.00 61.98 59.46 2i2t s VAL 127 Cb -0.12 -0.99 -0.09 0.00 -1.53 0.00 0.00 36.38 33.65 2i2t s VAL 127 CO 0.54 -0.00 0.73 0.42 -3.33 0.00 0.00 175.10 173.45 2i2t s THR 128 N -0.53 4.67 -2.00 5.04 -4.23 -1.26 -4.83 115.64 112.50 2i2t s THR 128 Ca -0.06 0.97 0.08 0.00 -1.18 0.00 0.00 61.69 61.50 2i2t s THR 128 Cb -0.02 -3.64 0.24 0.00 1.34 0.00 0.00 72.50 70.41 2i2t s THR 128 CO 0.06 -0.13 0.96 2.29 -0.54 0.00 0.00 174.62 177.26 2i2t n LYS 129 N -0.21 0.26 0.00 3.99 -0.00 -1.26 0.64 118.16 121.58 2i2t n LYS 129 Ca 0.03 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.40 2i2t n LYS 129 Cb 0.53 -1.50 -0.01 0.00 -0.00 0.00 0.00 35.03 34.05 2i2t n LYS 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2i2t n GLY 130 N -0.47 -0.10 0.12 2.58 0.00 -1.26 -3.95 105.19 102.10 2i2t n GLY 130 Ca 0.06 -0.38 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 2i2t n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i2t n ALA 131 N -0.27 1.83 0.30 4.61 0.00 0.21 -3.92 120.51 123.27 2i2t n ALA 131 Ca 0.05 -0.45 0.16 0.00 0.00 0.00 0.00 53.44 53.20 2i2t n ALA 131 Cb 0.27 0.27 0.72 0.00 0.00 0.00 0.00 19.45 20.72 2i2t n ALA 131 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2i2t h ARG 132 N -0.05 0.00 0.07 0.00 0.11 -0.02 -2.52 114.38 111.97 2i2t h ARG 132 Ca -0.24 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.84 2i2t h ARG 132 Cb 1.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.43 2i2t h ARG 132 CO -0.05 0.00 -0.03 0.00 0.10 0.00 0.00 179.97 179.98 2i2t h ALA 133 N 2.08 -0.12 -0.53 0.08 0.00 -1.75 -3.23 119.26 115.79 2i2t h ALA 133 Ca 0.00 -0.02 -0.46 0.00 0.00 0.00 0.00 54.91 54.43 2i2t h ALA 133 Cb 0.25 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2i2t h ALA 133 CO 0.00 -0.12 1.51 0.00 0.00 0.00 0.00 179.25 180.65 2i2t n ALA 134 N -2.53 2.47 0.00 0.00 0.00 -0.95 -2.70 120.51 116.80 2i2t n ALA 134 Ca -0.01 -3.28 0.00 0.00 0.00 0.00 0.00 53.44 50.15 2i2t n ALA 134 Cb 0.04 -3.53 0.00 0.00 0.00 0.00 0.00 19.45 15.96 2i2t n ALA 134 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2i2t n ILE 135 N 7.24 0.00 -0.14 0.00 3.06 -1.25 -4.85 119.36 123.43 2i2t n ILE 135 Ca 0.46 0.00 0.04 0.00 -2.50 0.00 0.00 62.75 60.76 2i2t n ILE 135 Cb 0.46 0.00 0.34 0.00 0.54 0.00 0.00 39.64 40.98 2i2t n ILE 135 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 2i2t h GLU 136 N 0.00 0.75 0.68 9.51 5.08 -1.52 0.21 114.58 129.28 2i2t h GLU 136 Ca 0.00 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2i2t h GLU 136 Cb 0.00 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.09 2i2t h GLU 136 CO 0.00 0.49 -0.33 0.00 -1.00 0.00 0.00 179.01 178.18 2i2t h ALA 137 N 1.62 -0.91 0.00 3.43 0.00 -1.84 -2.03 119.26 119.53 2i2t h ALA 137 Ca 0.26 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2i2t h ALA 137 Cb 0.06 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2i2t h ALA 137 CO -0.07 -0.89 0.00 0.00 0.00 0.00 0.00 179.25 178.29 2i2t n ALA 138 N -2.64 1.97 -0.01 0.00 0.00 -0.90 -4.87 120.51 114.05 2i2t n ALA 138 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2i2t n ALA 138 Cb 0.38 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.83 2i2t n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i2t n GLY 139 N 0.13 -1.68 0.00 0.00 0.00 0.68 -3.36 105.19 100.97 2i2t n GLY 139 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.92 2i2t n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i2t n GLY 140 N 0.66 -0.25 3.26 -0.02 0.00 -1.18 -2.88 105.19 104.78 2i2t n GLY 140 Ca 0.00 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 44.71 2i2t n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i2t s LYS 141 N -2.00 0.45 -0.07 1.61 1.02 -0.23 -4.72 119.74 115.80 2i2t s LYS 141 Ca 0.00 0.45 -0.08 0.00 0.02 0.00 0.00 55.97 56.36 2i2t s LYS 141 Cb 0.00 0.22 -0.04 0.00 -0.52 0.00 0.00 37.83 37.48 2i2t s LYS 141 CO 0.00 -0.06 0.21 0.42 -0.92 0.00 0.00 175.35 174.99 2i2t s ILE 142 N 0.05 5.39 0.00 2.17 1.09 -1.26 -1.59 121.20 127.06 2i2t s ILE 142 Ca -0.01 0.27 0.00 0.00 -1.10 0.00 0.00 60.65 59.81 2i2t s ILE 142 Cb -0.03 -3.49 0.00 0.00 -1.06 0.00 0.00 42.46 37.89 2i2t s ILE 142 CO 0.01 0.55 0.00 -1.84 -0.10 0.00 0.00 174.94 173.56 2i2t n GLU 143 N 1.74 0.00 -0.81 2.79 0.00 0.61 -4.92 120.64 120.05 2i2t n GLU 143 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.99 2i2t n GLU 143 Cb 0.54 -0.04 0.00 0.00 0.00 0.00 0.00 31.44 31.94 2i2t n GLU 143 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22